USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 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 44 THR OG1 : rot 151:sc= -0.734 USER MOD Set 1.2: A 53 THR OG1 : rot 140:sc= 0.0669 USER MOD Single : A 1 THR N :NH3+ 138:sc= 0.39 (180deg=0.0573) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 149:sc= 0.312 (180deg=0.0168) USER MOD Single : A 8 ASN : amide:sc= -1.37 K(o=-1.4,f=-7.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 39:sc= -0.44 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0539 K(o=-0.054,f=-0.77) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.898 K(o=-0.9,f=-1.9!) USER MOD Single : A 37 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 49 THR OG1 : rot -41:sc= 1.02 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -173:sc= -3.59! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 15.380 2.988 2.124 1.00 0.00 N ATOM 2 CA THR A 1 14.257 3.967 2.048 1.00 0.00 C ATOM 3 C THR A 1 12.989 3.367 2.663 1.00 0.00 C ATOM 4 O THR A 1 12.922 2.182 2.931 1.00 0.00 O ATOM 5 CB THR A 1 14.058 4.227 0.554 1.00 0.00 C ATOM 6 OG1 THR A 1 15.325 4.390 -0.068 1.00 0.00 O ATOM 7 CG2 THR A 1 13.224 5.494 0.361 1.00 0.00 C ATOM 0 H1 THR A 1 15.912 3.000 1.230 1.00 0.00 H new ATOM 0 H2 THR A 1 16.013 3.246 2.907 1.00 0.00 H new ATOM 0 H3 THR A 1 14.999 2.034 2.287 1.00 0.00 H new ATOM 0 HA THR A 1 14.471 4.885 2.596 1.00 0.00 H new ATOM 0 HB THR A 1 13.538 3.382 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 1 15.200 4.555 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 1 13.083 5.678 -0.704 1.00 0.00 H new ATOM 0 HG22 THR A 1 12.253 5.367 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.741 6.342 0.810 1.00 0.00 H new ATOM 17 N THR A 2 11.987 4.179 2.886 1.00 0.00 N ATOM 18 CA THR A 2 10.718 3.665 3.484 1.00 0.00 C ATOM 19 C THR A 2 9.547 3.902 2.526 1.00 0.00 C ATOM 20 O THR A 2 9.228 5.028 2.190 1.00 0.00 O ATOM 21 CB THR A 2 10.531 4.472 4.770 1.00 0.00 C ATOM 22 OG1 THR A 2 11.778 4.588 5.440 1.00 0.00 O ATOM 23 CG2 THR A 2 9.525 3.762 5.677 1.00 0.00 C ATOM 0 H THR A 2 11.993 5.178 2.679 1.00 0.00 H new ATOM 0 HA THR A 2 10.757 2.593 3.677 1.00 0.00 H new ATOM 0 HB THR A 2 10.157 5.466 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.660 5.106 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.392 4.337 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.569 3.675 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.896 2.767 5.924 1.00 0.00 H new ATOM 31 N PHE A 3 8.907 2.849 2.086 1.00 0.00 N ATOM 32 CA PHE A 3 7.753 3.002 1.149 1.00 0.00 C ATOM 33 C PHE A 3 6.492 3.382 1.930 1.00 0.00 C ATOM 34 O PHE A 3 6.473 3.336 3.145 1.00 0.00 O ATOM 35 CB PHE A 3 7.591 1.630 0.487 1.00 0.00 C ATOM 36 CG PHE A 3 8.852 1.284 -0.273 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.353 2.167 -1.238 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.523 0.082 -0.009 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.522 1.850 -1.938 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.692 -0.235 -0.711 1.00 0.00 C ATOM 41 CZ PHE A 3 11.192 0.649 -1.675 1.00 0.00 C ATOM 0 H PHE A 3 9.135 1.887 2.336 1.00 0.00 H new ATOM 0 HA PHE A 3 7.917 3.787 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.390 0.871 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.737 1.640 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.836 3.093 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.138 -0.599 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.908 2.532 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.208 -1.162 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.094 0.404 -2.216 1.00 0.00 H new ATOM 51 N LYS A 4 5.443 3.762 1.243 1.00 0.00 N ATOM 52 CA LYS A 4 4.183 4.154 1.948 1.00 0.00 C ATOM 53 C LYS A 4 2.955 3.689 1.164 1.00 0.00 C ATOM 54 O LYS A 4 3.003 3.526 -0.037 1.00 0.00 O ATOM 55 CB LYS A 4 4.218 5.682 2.000 1.00 0.00 C ATOM 56 CG LYS A 4 3.163 6.186 2.989 1.00 0.00 C ATOM 57 CD LYS A 4 3.212 7.717 3.060 1.00 0.00 C ATOM 58 CE LYS A 4 1.786 8.279 3.094 1.00 0.00 C ATOM 59 NZ LYS A 4 1.813 9.334 4.146 1.00 0.00 N ATOM 0 H LYS A 4 5.405 3.818 0.225 1.00 0.00 H new ATOM 0 HA LYS A 4 4.118 3.703 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.208 6.023 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.029 6.094 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.172 5.858 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.343 5.760 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.759 8.032 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.749 8.114 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.502 8.693 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.061 7.501 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.133 10.083 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.556 8.916 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.769 9.740 4.206 1.00 0.00 H new ATOM 73 N LEU A 5 1.853 3.498 1.841 1.00 0.00 N ATOM 74 CA LEU A 5 0.599 3.067 1.155 1.00 0.00 C ATOM 75 C LEU A 5 -0.608 3.530 1.971 1.00 0.00 C ATOM 76 O LEU A 5 -0.641 3.385 3.179 1.00 0.00 O ATOM 77 CB LEU A 5 0.652 1.536 1.096 1.00 0.00 C ATOM 78 CG LEU A 5 -0.126 1.041 -0.140 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.716 0.025 -0.921 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.434 0.380 0.308 1.00 0.00 C ATOM 0 H LEU A 5 1.768 3.623 2.850 1.00 0.00 H new ATOM 0 HA LEU A 5 0.510 3.493 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.687 1.199 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.222 1.112 2.003 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.346 1.892 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.157 -0.318 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.643 0.495 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.947 -0.826 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.983 0.031 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.210 -0.466 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.040 1.105 0.851 1.00 0.00 H new ATOM 92 N ILE A 6 -1.590 4.095 1.323 1.00 0.00 N ATOM 93 CA ILE A 6 -2.794 4.585 2.057 1.00 0.00 C ATOM 94 C ILE A 6 -3.972 3.628 1.847 1.00 0.00 C ATOM 95 O ILE A 6 -4.258 3.211 0.741 1.00 0.00 O ATOM 96 CB ILE A 6 -3.076 5.961 1.445 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.889 6.895 1.740 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.366 6.554 2.030 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.730 7.100 3.252 1.00 0.00 C ATOM 0 H ILE A 6 -1.611 4.239 0.313 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.641 4.642 3.135 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.204 5.856 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.974 6.472 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.045 7.857 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.552 7.531 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.203 5.891 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.260 6.661 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.886 7.763 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.639 7.545 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.552 6.138 3.733 1.00 0.00 H new ATOM 111 N ILE A 7 -4.655 3.285 2.909 1.00 0.00 N ATOM 112 CA ILE A 7 -5.820 2.360 2.793 1.00 0.00 C ATOM 113 C ILE A 7 -7.077 3.151 2.423 1.00 0.00 C ATOM 114 O ILE A 7 -7.540 3.985 3.179 1.00 0.00 O ATOM 115 CB ILE A 7 -5.967 1.724 4.180 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.682 0.972 4.539 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.140 0.740 4.175 1.00 0.00 C ATOM 118 CD1 ILE A 7 -4.752 0.507 5.995 1.00 0.00 C ATOM 0 H ILE A 7 -4.454 3.608 3.855 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.678 1.606 2.019 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.151 2.508 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.553 0.115 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.817 1.619 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.241 0.290 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.058 1.270 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.956 -0.041 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.837 -0.028 6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.860 1.373 6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.608 -0.155 6.125 1.00 0.00 H new ATOM 130 N ASN A 8 -7.630 2.895 1.266 1.00 0.00 N ATOM 131 CA ASN A 8 -8.860 3.626 0.840 1.00 0.00 C ATOM 132 C ASN A 8 -10.054 2.670 0.826 1.00 0.00 C ATOM 133 O ASN A 8 -10.756 2.552 -0.161 1.00 0.00 O ATOM 134 CB ASN A 8 -8.553 4.133 -0.570 1.00 0.00 C ATOM 135 CG ASN A 8 -7.624 5.346 -0.485 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.885 5.494 0.468 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.629 6.225 -1.449 1.00 0.00 N ATOM 0 H ASN A 8 -7.282 2.209 0.596 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.115 4.444 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.085 3.344 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.477 4.405 -1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.013 7.036 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.249 6.101 -2.249 1.00 0.00 H new ATOM 144 N GLY A 9 -10.282 1.987 1.917 1.00 0.00 N ATOM 145 CA GLY A 9 -11.425 1.031 1.985 1.00 0.00 C ATOM 146 C GLY A 9 -12.698 1.783 2.377 1.00 0.00 C ATOM 147 O GLY A 9 -12.654 2.762 3.097 1.00 0.00 O ATOM 0 H GLY A 9 -9.723 2.051 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.561 0.542 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.214 0.247 2.713 1.00 0.00 H new ATOM 151 N LYS A 10 -13.831 1.331 1.902 1.00 0.00 N ATOM 152 CA LYS A 10 -15.119 2.012 2.233 1.00 0.00 C ATOM 153 C LYS A 10 -15.320 2.086 3.751 1.00 0.00 C ATOM 154 O LYS A 10 -15.905 3.023 4.262 1.00 0.00 O ATOM 155 CB LYS A 10 -16.208 1.146 1.595 1.00 0.00 C ATOM 156 CG LYS A 10 -16.008 1.109 0.078 1.00 0.00 C ATOM 157 CD LYS A 10 -17.290 0.615 -0.594 1.00 0.00 C ATOM 158 CE LYS A 10 -17.444 1.291 -1.958 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.740 0.787 -2.492 1.00 0.00 N ATOM 0 H LYS A 10 -13.919 0.515 1.296 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.140 3.037 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.169 0.136 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.193 1.548 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.752 2.102 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.176 0.451 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.256 -0.468 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.152 0.839 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.452 2.377 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.617 1.035 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.917 1.206 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.701 -0.249 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.509 1.051 -1.843 1.00 0.00 H new ATOM 173 N THR A 11 -14.840 1.103 4.471 1.00 0.00 N ATOM 174 CA THR A 11 -15.002 1.107 5.956 1.00 0.00 C ATOM 175 C THR A 11 -13.635 1.193 6.644 1.00 0.00 C ATOM 176 O THR A 11 -13.508 1.752 7.717 1.00 0.00 O ATOM 177 CB THR A 11 -15.683 -0.223 6.282 1.00 0.00 C ATOM 178 OG1 THR A 11 -16.806 -0.399 5.430 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.142 -0.220 7.741 1.00 0.00 C ATOM 0 H THR A 11 -14.342 0.297 4.093 1.00 0.00 H new ATOM 0 HA THR A 11 -15.583 1.961 6.304 1.00 0.00 H new ATOM 0 HB THR A 11 -14.978 -1.040 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.243 -1.252 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.627 -1.168 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.279 -0.085 8.394 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.847 0.596 7.899 1.00 0.00 H new ATOM 187 N LEU A 12 -12.617 0.640 6.034 1.00 0.00 N ATOM 188 CA LEU A 12 -11.256 0.683 6.650 1.00 0.00 C ATOM 189 C LEU A 12 -10.388 1.733 5.951 1.00 0.00 C ATOM 190 O LEU A 12 -10.476 1.926 4.753 1.00 0.00 O ATOM 191 CB LEU A 12 -10.680 -0.717 6.434 1.00 0.00 C ATOM 192 CG LEU A 12 -11.466 -1.727 7.273 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.437 -3.093 6.586 1.00 0.00 C ATOM 194 CD2 LEU A 12 -10.829 -1.841 8.659 1.00 0.00 C ATOM 0 H LEU A 12 -12.670 0.160 5.135 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.290 0.953 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.733 -0.985 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.627 -0.736 6.715 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.499 -1.392 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.997 -3.813 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.889 -3.013 5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.405 -3.429 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.388 -2.560 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.797 -2.177 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.848 -0.868 9.149 1.00 0.00 H new ATOM 206 N LYS A 13 -9.550 2.411 6.695 1.00 0.00 N ATOM 207 CA LYS A 13 -8.670 3.452 6.085 1.00 0.00 C ATOM 208 C LYS A 13 -7.400 3.631 6.924 1.00 0.00 C ATOM 209 O LYS A 13 -7.220 2.981 7.936 1.00 0.00 O ATOM 210 CB LYS A 13 -9.505 4.734 6.095 1.00 0.00 C ATOM 211 CG LYS A 13 -10.195 4.907 4.741 1.00 0.00 C ATOM 212 CD LYS A 13 -10.903 6.263 4.697 1.00 0.00 C ATOM 213 CE LYS A 13 -11.737 6.365 3.418 1.00 0.00 C ATOM 214 NZ LYS A 13 -10.880 7.116 2.459 1.00 0.00 N ATOM 0 H LYS A 13 -9.438 2.287 7.701 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.350 3.183 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.249 4.689 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.868 5.594 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.462 4.841 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.915 4.104 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.544 6.379 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.170 7.069 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.990 5.378 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.677 6.887 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.384 7.227 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.661 8.054 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.996 6.592 2.300 1.00 0.00 H new ATOM 228 N GLY A 14 -6.523 4.510 6.508 1.00 0.00 N ATOM 229 CA GLY A 14 -5.263 4.740 7.274 1.00 0.00 C ATOM 230 C GLY A 14 -4.065 4.689 6.324 1.00 0.00 C ATOM 231 O GLY A 14 -4.220 4.596 5.121 1.00 0.00 O ATOM 0 H GLY A 14 -6.627 5.079 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.302 5.708 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.155 3.983 8.051 1.00 0.00 H new ATOM 235 N GLU A 15 -2.871 4.751 6.859 1.00 0.00 N ATOM 236 CA GLU A 15 -1.651 4.707 5.996 1.00 0.00 C ATOM 237 C GLU A 15 -0.679 3.638 6.506 1.00 0.00 C ATOM 238 O GLU A 15 -0.823 3.135 7.605 1.00 0.00 O ATOM 239 CB GLU A 15 -1.030 6.106 6.106 1.00 0.00 C ATOM 240 CG GLU A 15 -0.696 6.421 7.568 1.00 0.00 C ATOM 241 CD GLU A 15 -0.047 7.803 7.657 1.00 0.00 C ATOM 242 OE1 GLU A 15 0.777 8.104 6.810 1.00 0.00 O ATOM 243 OE2 GLU A 15 -0.385 8.537 8.571 1.00 0.00 O ATOM 0 H GLU A 15 -2.688 4.830 7.859 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.886 4.451 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.126 6.160 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.722 6.851 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.602 6.393 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.022 5.664 7.969 1.00 0.00 H new ATOM 250 N THR A 16 0.306 3.287 5.716 1.00 0.00 N ATOM 251 CA THR A 16 1.287 2.246 6.158 1.00 0.00 C ATOM 252 C THR A 16 2.581 2.334 5.343 1.00 0.00 C ATOM 253 O THR A 16 2.567 2.673 4.176 1.00 0.00 O ATOM 254 CB THR A 16 0.587 0.903 5.913 1.00 0.00 C ATOM 255 OG1 THR A 16 1.460 -0.154 6.285 1.00 0.00 O ATOM 256 CG2 THR A 16 0.216 0.762 4.433 1.00 0.00 C ATOM 0 H THR A 16 0.473 3.674 4.787 1.00 0.00 H new ATOM 0 HA THR A 16 1.569 2.376 7.203 1.00 0.00 H new ATOM 0 HB THR A 16 -0.323 0.860 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.016 -1.014 6.132 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.280 -0.195 4.272 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.456 1.572 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.120 0.809 3.825 1.00 0.00 H new ATOM 264 N THR A 17 3.696 2.020 5.952 1.00 0.00 N ATOM 265 CA THR A 17 4.998 2.070 5.221 1.00 0.00 C ATOM 266 C THR A 17 5.799 0.797 5.495 1.00 0.00 C ATOM 267 O THR A 17 5.588 0.126 6.488 1.00 0.00 O ATOM 268 CB THR A 17 5.738 3.282 5.785 1.00 0.00 C ATOM 269 OG1 THR A 17 5.754 3.207 7.204 1.00 0.00 O ATOM 270 CG2 THR A 17 5.039 4.569 5.348 1.00 0.00 C ATOM 0 H THR A 17 3.761 1.730 6.928 1.00 0.00 H new ATOM 0 HA THR A 17 4.856 2.146 4.143 1.00 0.00 H new ATOM 0 HB THR A 17 6.761 3.286 5.407 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.230 3.983 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.572 5.429 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.032 4.627 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.014 4.570 5.718 1.00 0.00 H new ATOM 278 N THR A 18 6.717 0.464 4.624 1.00 0.00 N ATOM 279 CA THR A 18 7.535 -0.758 4.829 1.00 0.00 C ATOM 280 C THR A 18 8.982 -0.482 4.374 1.00 0.00 C ATOM 281 O THR A 18 9.259 0.499 3.710 1.00 0.00 O ATOM 282 CB THR A 18 6.811 -1.843 3.984 1.00 0.00 C ATOM 283 OG1 THR A 18 6.163 -2.750 4.863 1.00 0.00 O ATOM 284 CG2 THR A 18 7.785 -2.625 3.099 1.00 0.00 C ATOM 0 H THR A 18 6.932 0.991 3.778 1.00 0.00 H new ATOM 0 HA THR A 18 7.618 -1.081 5.867 1.00 0.00 H new ATOM 0 HB THR A 18 6.094 -1.341 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.782 -2.257 5.619 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.236 -3.372 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.286 -1.940 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.527 -3.121 3.725 1.00 0.00 H new ATOM 292 N GLU A 19 9.892 -1.355 4.723 1.00 0.00 N ATOM 293 CA GLU A 19 11.315 -1.172 4.311 1.00 0.00 C ATOM 294 C GLU A 19 11.774 -2.387 3.501 1.00 0.00 C ATOM 295 O GLU A 19 11.807 -3.496 4.001 1.00 0.00 O ATOM 296 CB GLU A 19 12.097 -1.071 5.620 1.00 0.00 C ATOM 297 CG GLU A 19 13.536 -0.643 5.322 1.00 0.00 C ATOM 298 CD GLU A 19 14.484 -1.306 6.323 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.599 -0.798 7.426 1.00 0.00 O ATOM 300 OE2 GLU A 19 15.079 -2.311 5.969 1.00 0.00 O ATOM 0 H GLU A 19 9.709 -2.191 5.278 1.00 0.00 H new ATOM 0 HA GLU A 19 11.462 -0.291 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.622 -0.350 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.091 -2.032 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.808 -0.927 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.624 0.442 5.385 1.00 0.00 H new ATOM 307 N ALA A 20 12.117 -2.188 2.254 1.00 0.00 N ATOM 308 CA ALA A 20 12.562 -3.334 1.406 1.00 0.00 C ATOM 309 C ALA A 20 13.488 -2.851 0.287 1.00 0.00 C ATOM 310 O ALA A 20 13.735 -1.670 0.138 1.00 0.00 O ATOM 311 CB ALA A 20 11.273 -3.908 0.820 1.00 0.00 C ATOM 0 H ALA A 20 12.108 -1.281 1.787 1.00 0.00 H new ATOM 0 HA ALA A 20 13.123 -4.073 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.511 -4.758 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.619 -4.234 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.768 -3.142 0.232 1.00 0.00 H new ATOM 317 N VAL A 21 14.001 -3.765 -0.499 1.00 0.00 N ATOM 318 CA VAL A 21 14.917 -3.376 -1.618 1.00 0.00 C ATOM 319 C VAL A 21 14.213 -2.409 -2.578 1.00 0.00 C ATOM 320 O VAL A 21 14.801 -1.457 -3.055 1.00 0.00 O ATOM 321 CB VAL A 21 15.273 -4.689 -2.332 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.972 -5.630 -1.350 1.00 0.00 C ATOM 323 CG2 VAL A 21 14.001 -5.366 -2.863 1.00 0.00 C ATOM 0 H VAL A 21 13.825 -4.766 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 21 15.807 -2.863 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 21 15.936 -4.467 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.225 -6.562 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.883 -5.159 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.307 -5.841 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.267 -6.295 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.330 -5.583 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.502 -4.701 -3.568 1.00 0.00 H new ATOM 333 N ASP A 22 12.958 -2.650 -2.860 1.00 0.00 N ATOM 334 CA ASP A 22 12.200 -1.755 -3.785 1.00 0.00 C ATOM 335 C ASP A 22 10.719 -1.755 -3.403 1.00 0.00 C ATOM 336 O ASP A 22 10.248 -2.649 -2.724 1.00 0.00 O ATOM 337 CB ASP A 22 12.388 -2.357 -5.180 1.00 0.00 C ATOM 338 CG ASP A 22 13.875 -2.378 -5.541 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.461 -1.310 -5.619 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.403 -3.461 -5.733 1.00 0.00 O ATOM 0 H ASP A 22 12.423 -3.434 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 22 12.551 -0.724 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.984 -3.369 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.834 -1.773 -5.915 1.00 0.00 H new ATOM 345 N ALA A 23 9.982 -0.762 -3.833 1.00 0.00 N ATOM 346 CA ALA A 23 8.526 -0.708 -3.494 1.00 0.00 C ATOM 347 C ALA A 23 7.807 -1.923 -4.082 1.00 0.00 C ATOM 348 O ALA A 23 6.810 -2.377 -3.553 1.00 0.00 O ATOM 349 CB ALA A 23 8.007 0.585 -4.127 1.00 0.00 C ATOM 0 H ALA A 23 10.324 0.012 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 23 8.354 -0.723 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.942 0.691 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.545 1.436 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.164 0.551 -5.205 1.00 0.00 H new ATOM 355 N ALA A 24 8.314 -2.461 -5.166 1.00 0.00 N ATOM 356 CA ALA A 24 7.666 -3.660 -5.783 1.00 0.00 C ATOM 357 C ALA A 24 7.665 -4.814 -4.779 1.00 0.00 C ATOM 358 O ALA A 24 6.667 -5.483 -4.588 1.00 0.00 O ATOM 359 CB ALA A 24 8.528 -4.006 -7.000 1.00 0.00 C ATOM 0 H ALA A 24 9.146 -2.122 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 24 6.630 -3.474 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.112 -4.878 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.541 -3.161 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.545 -4.225 -6.675 1.00 0.00 H new ATOM 365 N THR A 25 8.778 -5.037 -4.126 1.00 0.00 N ATOM 366 CA THR A 25 8.854 -6.136 -3.117 1.00 0.00 C ATOM 367 C THR A 25 7.974 -5.787 -1.911 1.00 0.00 C ATOM 368 O THR A 25 7.176 -6.592 -1.457 1.00 0.00 O ATOM 369 CB THR A 25 10.341 -6.216 -2.720 1.00 0.00 C ATOM 370 OG1 THR A 25 11.087 -6.745 -3.807 1.00 0.00 O ATOM 371 CG2 THR A 25 10.524 -7.120 -1.493 1.00 0.00 C ATOM 0 H THR A 25 9.639 -4.504 -4.249 1.00 0.00 H new ATOM 0 HA THR A 25 8.498 -7.091 -3.503 1.00 0.00 H new ATOM 0 HB THR A 25 10.694 -5.215 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.942 -7.093 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.580 -7.164 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.956 -6.716 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.166 -8.123 -1.724 1.00 0.00 H new ATOM 379 N ALA A 26 8.117 -4.594 -1.385 1.00 0.00 N ATOM 380 CA ALA A 26 7.295 -4.199 -0.204 1.00 0.00 C ATOM 381 C ALA A 26 5.810 -4.276 -0.551 1.00 0.00 C ATOM 382 O ALA A 26 5.053 -4.964 0.097 1.00 0.00 O ATOM 383 CB ALA A 26 7.688 -2.754 0.117 1.00 0.00 C ATOM 0 H ALA A 26 8.765 -3.882 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 26 7.468 -4.859 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.118 -2.404 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.753 -2.709 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.474 -2.119 -0.743 1.00 0.00 H new ATOM 389 N GLU A 27 5.397 -3.564 -1.573 1.00 0.00 N ATOM 390 CA GLU A 27 3.952 -3.556 -1.989 1.00 0.00 C ATOM 391 C GLU A 27 3.328 -4.960 -1.947 1.00 0.00 C ATOM 392 O GLU A 27 2.172 -5.115 -1.599 1.00 0.00 O ATOM 393 CB GLU A 27 3.958 -3.012 -3.420 1.00 0.00 C ATOM 394 CG GLU A 27 2.521 -2.848 -3.918 1.00 0.00 C ATOM 395 CD GLU A 27 2.498 -2.928 -5.445 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.442 -2.458 -6.058 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.536 -3.459 -5.977 1.00 0.00 O ATOM 0 H GLU A 27 6.006 -2.980 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 27 3.351 -2.950 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.475 -2.053 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.504 -3.691 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.887 -3.626 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.117 -1.891 -3.587 1.00 0.00 H new ATOM 404 N LYS A 28 4.088 -5.982 -2.266 1.00 0.00 N ATOM 405 CA LYS A 28 3.530 -7.370 -2.203 1.00 0.00 C ATOM 406 C LYS A 28 3.173 -7.677 -0.750 1.00 0.00 C ATOM 407 O LYS A 28 2.108 -8.181 -0.450 1.00 0.00 O ATOM 408 CB LYS A 28 4.651 -8.291 -2.691 1.00 0.00 C ATOM 409 CG LYS A 28 5.032 -7.929 -4.127 1.00 0.00 C ATOM 410 CD LYS A 28 6.482 -8.344 -4.386 1.00 0.00 C ATOM 411 CE LYS A 28 6.510 -9.750 -4.991 1.00 0.00 C ATOM 412 NZ LYS A 28 7.910 -9.937 -5.462 1.00 0.00 N ATOM 0 H LYS A 28 5.061 -5.916 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 28 2.634 -7.498 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.520 -8.197 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.327 -9.331 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.367 -8.431 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.914 -6.857 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.959 -7.635 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.049 -8.326 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.238 -10.504 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.801 -9.840 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.009 -10.880 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.138 -9.210 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.562 -9.853 -4.656 1.00 0.00 H new ATOM 426 N VAL A 29 4.055 -7.335 0.154 1.00 0.00 N ATOM 427 CA VAL A 29 3.775 -7.557 1.604 1.00 0.00 C ATOM 428 C VAL A 29 2.637 -6.623 2.025 1.00 0.00 C ATOM 429 O VAL A 29 1.801 -6.978 2.834 1.00 0.00 O ATOM 430 CB VAL A 29 5.096 -7.205 2.322 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.862 -6.943 3.819 1.00 0.00 C ATOM 432 CG2 VAL A 29 6.077 -8.369 2.165 1.00 0.00 C ATOM 0 H VAL A 29 4.960 -6.910 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 29 3.466 -8.575 1.842 1.00 0.00 H new ATOM 0 HB VAL A 29 5.502 -6.299 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.810 -6.698 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.169 -6.110 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.441 -7.835 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.012 -8.127 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.648 -9.268 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.270 -8.542 1.106 1.00 0.00 H new ATOM 442 N LEU A 30 2.606 -5.429 1.490 1.00 0.00 N ATOM 443 CA LEU A 30 1.524 -4.479 1.867 1.00 0.00 C ATOM 444 C LEU A 30 0.193 -5.043 1.377 1.00 0.00 C ATOM 445 O LEU A 30 -0.829 -4.884 2.011 1.00 0.00 O ATOM 446 CB LEU A 30 1.877 -3.156 1.167 1.00 0.00 C ATOM 447 CG LEU A 30 3.005 -2.372 1.900 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.419 -1.492 2.997 1.00 0.00 C ATOM 449 CD2 LEU A 30 4.055 -3.292 2.536 1.00 0.00 C ATOM 0 H LEU A 30 3.281 -5.075 0.812 1.00 0.00 H new ATOM 0 HA LEU A 30 1.436 -4.325 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.190 -3.363 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.985 -2.532 1.108 1.00 0.00 H new ATOM 0 HG LEU A 30 3.494 -1.767 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.222 -0.952 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.721 -0.779 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.894 -2.115 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.815 -2.688 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.574 -3.942 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.523 -3.900 1.762 1.00 0.00 H new ATOM 461 N LYS A 31 0.215 -5.747 0.271 1.00 0.00 N ATOM 462 CA LYS A 31 -1.038 -6.379 -0.244 1.00 0.00 C ATOM 463 C LYS A 31 -1.514 -7.392 0.787 1.00 0.00 C ATOM 464 O LYS A 31 -2.678 -7.459 1.132 1.00 0.00 O ATOM 465 CB LYS A 31 -0.627 -7.111 -1.522 1.00 0.00 C ATOM 466 CG LYS A 31 -1.837 -7.249 -2.455 1.00 0.00 C ATOM 467 CD LYS A 31 -2.770 -8.358 -1.946 1.00 0.00 C ATOM 468 CE LYS A 31 -2.005 -9.686 -1.857 1.00 0.00 C ATOM 469 NZ LYS A 31 -2.815 -10.662 -2.640 1.00 0.00 N ATOM 0 H LYS A 31 1.047 -5.911 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.833 -5.657 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.171 -6.564 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.232 -8.097 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.377 -6.303 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.502 -7.480 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.166 -8.090 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.623 -8.464 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.000 -9.589 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.895 -10.008 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.350 -11.592 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.764 -10.741 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.897 -10.335 -3.624 1.00 0.00 H new ATOM 483 N GLN A 32 -0.593 -8.169 1.297 1.00 0.00 N ATOM 484 CA GLN A 32 -0.942 -9.183 2.336 1.00 0.00 C ATOM 485 C GLN A 32 -1.634 -8.487 3.513 1.00 0.00 C ATOM 486 O GLN A 32 -2.603 -8.979 4.058 1.00 0.00 O ATOM 487 CB GLN A 32 0.388 -9.786 2.771 1.00 0.00 C ATOM 488 CG GLN A 32 0.669 -11.050 1.956 1.00 0.00 C ATOM 489 CD GLN A 32 2.078 -11.557 2.268 1.00 0.00 C ATOM 490 OE1 GLN A 32 3.050 -11.038 1.756 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.231 -12.557 3.093 1.00 0.00 N ATOM 0 H GLN A 32 0.393 -8.144 1.036 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.622 -9.949 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.191 -9.063 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.360 -10.025 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.066 -11.819 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.575 -10.837 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.415 -12.993 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.166 -12.902 3.308 1.00 0.00 H new ATOM 500 N TYR A 33 -1.155 -7.321 3.877 1.00 0.00 N ATOM 501 CA TYR A 33 -1.799 -6.555 4.987 1.00 0.00 C ATOM 502 C TYR A 33 -3.219 -6.176 4.553 1.00 0.00 C ATOM 503 O TYR A 33 -4.162 -6.259 5.317 1.00 0.00 O ATOM 504 CB TYR A 33 -0.926 -5.307 5.170 1.00 0.00 C ATOM 505 CG TYR A 33 -1.546 -4.406 6.203 1.00 0.00 C ATOM 506 CD1 TYR A 33 -1.366 -4.687 7.556 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.308 -3.303 5.806 1.00 0.00 C ATOM 508 CE1 TYR A 33 -1.947 -3.867 8.522 1.00 0.00 C ATOM 509 CE2 TYR A 33 -2.890 -2.477 6.772 1.00 0.00 C ATOM 510 CZ TYR A 33 -2.710 -2.759 8.133 1.00 0.00 C ATOM 511 OH TYR A 33 -3.285 -1.946 9.088 1.00 0.00 O ATOM 0 H TYR A 33 -0.346 -6.868 3.452 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.874 -7.118 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.078 -5.595 5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.828 -4.777 4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.776 -5.540 7.856 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.447 -3.090 4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.809 -4.086 9.570 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.478 -1.623 6.470 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.779 -1.223 8.648 1.00 0.00 H new ATOM 521 N ILE A 34 -3.365 -5.776 3.318 1.00 0.00 N ATOM 522 CA ILE A 34 -4.712 -5.403 2.791 1.00 0.00 C ATOM 523 C ILE A 34 -5.603 -6.650 2.759 1.00 0.00 C ATOM 524 O ILE A 34 -6.808 -6.570 2.902 1.00 0.00 O ATOM 525 CB ILE A 34 -4.450 -4.883 1.370 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.511 -3.653 1.438 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.780 -4.536 0.677 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.278 -2.376 1.803 1.00 0.00 C ATOM 0 H ILE A 34 -2.603 -5.691 2.645 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.218 -4.656 3.403 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.962 -5.658 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.729 -3.832 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.016 -3.519 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.581 -4.168 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.404 -5.428 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.298 -3.766 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.586 -1.534 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.043 -2.183 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.751 -2.501 2.777 1.00 0.00 H new ATOM 540 N ASN A 35 -5.008 -7.803 2.572 1.00 0.00 N ATOM 541 CA ASN A 35 -5.801 -9.071 2.529 1.00 0.00 C ATOM 542 C ASN A 35 -6.561 -9.270 3.844 1.00 0.00 C ATOM 543 O ASN A 35 -7.604 -9.895 3.878 1.00 0.00 O ATOM 544 CB ASN A 35 -4.768 -10.184 2.335 1.00 0.00 C ATOM 545 CG ASN A 35 -5.483 -11.489 1.981 1.00 0.00 C ATOM 546 OD1 ASN A 35 -6.580 -11.738 2.439 1.00 0.00 O ATOM 547 ND2 ASN A 35 -4.903 -12.339 1.177 1.00 0.00 N ATOM 0 H ASN A 35 -4.003 -7.921 2.447 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.544 -9.061 1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.070 -9.913 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.182 -10.313 3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.371 -13.212 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.982 -12.130 0.792 1.00 0.00 H new ATOM 554 N ASP A 36 -6.043 -8.741 4.925 1.00 0.00 N ATOM 555 CA ASP A 36 -6.730 -8.895 6.244 1.00 0.00 C ATOM 556 C ASP A 36 -7.946 -7.967 6.318 1.00 0.00 C ATOM 557 O ASP A 36 -9.002 -8.352 6.783 1.00 0.00 O ATOM 558 CB ASP A 36 -5.687 -8.497 7.289 1.00 0.00 C ATOM 559 CG ASP A 36 -6.245 -8.752 8.691 1.00 0.00 C ATOM 560 OD1 ASP A 36 -7.319 -8.250 8.979 1.00 0.00 O ATOM 561 OD2 ASP A 36 -5.589 -9.444 9.451 1.00 0.00 O ATOM 0 H ASP A 36 -5.173 -8.209 4.951 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.094 -9.910 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.772 -9.070 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.427 -7.445 7.176 1.00 0.00 H new ATOM 566 N ASN A 37 -7.802 -6.749 5.861 1.00 0.00 N ATOM 567 CA ASN A 37 -8.947 -5.789 5.899 1.00 0.00 C ATOM 568 C ASN A 37 -9.942 -6.108 4.780 1.00 0.00 C ATOM 569 O ASN A 37 -11.126 -5.854 4.900 1.00 0.00 O ATOM 570 CB ASN A 37 -8.322 -4.410 5.683 1.00 0.00 C ATOM 571 CG ASN A 37 -7.546 -3.998 6.936 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.894 -4.385 8.034 1.00 0.00 O ATOM 573 ND2 ASN A 37 -6.502 -3.225 6.818 1.00 0.00 N ATOM 0 H ASN A 37 -6.940 -6.377 5.463 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.497 -5.842 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.656 -4.432 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.099 -3.677 5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.978 -2.946 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.210 -2.900 5.896 1.00 0.00 H new ATOM 580 N GLY A 38 -9.467 -6.664 3.694 1.00 0.00 N ATOM 581 CA GLY A 38 -10.376 -7.004 2.561 1.00 0.00 C ATOM 582 C GLY A 38 -10.570 -5.774 1.673 1.00 0.00 C ATOM 583 O GLY A 38 -11.608 -5.597 1.063 1.00 0.00 O ATOM 0 H GLY A 38 -8.485 -6.897 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.956 -7.824 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.338 -7.345 2.943 1.00 0.00 H new ATOM 587 N ILE A 39 -9.577 -4.924 1.599 1.00 0.00 N ATOM 588 CA ILE A 39 -9.695 -3.699 0.751 1.00 0.00 C ATOM 589 C ILE A 39 -8.742 -3.794 -0.445 1.00 0.00 C ATOM 590 O ILE A 39 -7.766 -3.073 -0.531 1.00 0.00 O ATOM 591 CB ILE A 39 -9.303 -2.535 1.672 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.244 -2.487 2.889 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.392 -1.213 0.903 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.697 -2.303 2.433 1.00 0.00 C ATOM 0 H ILE A 39 -8.689 -5.026 2.090 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.698 -3.569 0.345 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.280 -2.685 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.151 -3.407 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.956 -1.668 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.113 -0.390 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.714 -1.242 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.413 -1.065 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.351 -2.271 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.788 -1.370 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.986 -3.137 1.793 1.00 0.00 H new ATOM 606 N ASP A 40 -9.023 -4.678 -1.368 1.00 0.00 N ATOM 607 CA ASP A 40 -8.143 -4.828 -2.566 1.00 0.00 C ATOM 608 C ASP A 40 -8.915 -4.451 -3.832 1.00 0.00 C ATOM 609 O ASP A 40 -9.725 -5.215 -4.324 1.00 0.00 O ATOM 610 CB ASP A 40 -7.757 -6.307 -2.593 1.00 0.00 C ATOM 611 CG ASP A 40 -6.604 -6.552 -1.617 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.527 -6.034 -1.861 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.819 -7.252 -0.641 1.00 0.00 O ATOM 0 H ASP A 40 -9.827 -5.305 -1.343 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.267 -4.181 -2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.615 -6.923 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.462 -6.598 -3.601 1.00 0.00 H new ATOM 618 N GLY A 41 -8.673 -3.276 -4.359 1.00 0.00 N ATOM 619 CA GLY A 41 -9.395 -2.842 -5.591 1.00 0.00 C ATOM 620 C GLY A 41 -8.398 -2.268 -6.600 1.00 0.00 C ATOM 621 O GLY A 41 -7.904 -2.970 -7.462 1.00 0.00 O ATOM 0 H GLY A 41 -8.006 -2.600 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.925 -3.687 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.145 -2.092 -5.339 1.00 0.00 H new ATOM 625 N GLU A 42 -8.107 -0.994 -6.503 1.00 0.00 N ATOM 626 CA GLU A 42 -7.148 -0.366 -7.462 1.00 0.00 C ATOM 627 C GLU A 42 -6.090 0.444 -6.708 1.00 0.00 C ATOM 628 O GLU A 42 -6.404 1.378 -5.995 1.00 0.00 O ATOM 629 CB GLU A 42 -8.006 0.557 -8.337 1.00 0.00 C ATOM 630 CG GLU A 42 -8.129 -0.031 -9.746 1.00 0.00 C ATOM 631 CD GLU A 42 -9.510 0.294 -10.317 1.00 0.00 C ATOM 632 OE1 GLU A 42 -10.488 -0.152 -9.739 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.567 0.982 -11.322 1.00 0.00 O ATOM 0 H GLU A 42 -8.492 -0.362 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.614 -1.110 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.995 0.676 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.557 1.549 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.352 0.378 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.982 -1.111 -9.715 1.00 0.00 H new ATOM 640 N TRP A 43 -4.838 0.095 -6.871 1.00 0.00 N ATOM 641 CA TRP A 43 -3.752 0.845 -6.176 1.00 0.00 C ATOM 642 C TRP A 43 -3.145 1.874 -7.131 1.00 0.00 C ATOM 643 O TRP A 43 -3.401 1.855 -8.321 1.00 0.00 O ATOM 644 CB TRP A 43 -2.681 -0.193 -5.824 1.00 0.00 C ATOM 645 CG TRP A 43 -3.139 -1.141 -4.755 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.414 -1.537 -4.512 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.312 -1.828 -3.781 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.407 -2.442 -3.470 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.137 -2.645 -2.979 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.934 -1.821 -3.524 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.614 -3.429 -1.956 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.402 -2.606 -2.490 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.239 -3.407 -1.708 1.00 0.00 C ATOM 0 H TRP A 43 -4.523 -0.678 -7.457 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.128 1.365 -5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.417 -0.757 -6.718 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.778 0.318 -5.491 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.290 -1.200 -5.046 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.241 -2.904 -3.108 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.279 -1.208 -4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.265 -4.050 -1.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.661 -2.591 -2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.823 -4.008 -0.913 1.00 0.00 H new ATOM 664 N THR A 44 -2.320 2.748 -6.622 1.00 0.00 N ATOM 665 CA THR A 44 -1.658 3.763 -7.494 1.00 0.00 C ATOM 666 C THR A 44 -0.319 4.157 -6.876 1.00 0.00 C ATOM 667 O THR A 44 -0.234 4.463 -5.701 1.00 0.00 O ATOM 668 CB THR A 44 -2.602 4.964 -7.550 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.838 5.447 -6.237 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.928 4.554 -8.193 1.00 0.00 C ATOM 0 H THR A 44 -2.074 2.804 -5.634 1.00 0.00 H new ATOM 0 HA THR A 44 -1.465 3.380 -8.496 1.00 0.00 H new ATOM 0 HB THR A 44 -2.143 5.751 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.021 6.409 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.596 5.415 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.745 4.193 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.389 3.762 -7.603 1.00 0.00 H new ATOM 678 N TYR A 45 0.726 4.142 -7.657 1.00 0.00 N ATOM 679 CA TYR A 45 2.071 4.503 -7.122 1.00 0.00 C ATOM 680 C TYR A 45 2.360 5.987 -7.383 1.00 0.00 C ATOM 681 O TYR A 45 1.757 6.599 -8.245 1.00 0.00 O ATOM 682 CB TYR A 45 3.053 3.619 -7.897 1.00 0.00 C ATOM 683 CG TYR A 45 4.462 3.874 -7.416 1.00 0.00 C ATOM 684 CD1 TYR A 45 4.769 3.764 -6.054 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.461 4.219 -8.333 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.076 4.000 -5.611 1.00 0.00 C ATOM 687 CE2 TYR A 45 6.767 4.455 -7.890 1.00 0.00 C ATOM 688 CZ TYR A 45 7.075 4.346 -6.529 1.00 0.00 C ATOM 689 OH TYR A 45 8.363 4.578 -6.091 1.00 0.00 O ATOM 0 H TYR A 45 0.707 3.894 -8.646 1.00 0.00 H new ATOM 0 HA TYR A 45 2.146 4.349 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.797 2.568 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.980 3.828 -8.964 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.998 3.497 -5.346 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.224 4.303 -9.383 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.314 3.915 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.538 4.721 -8.598 1.00 0.00 H new ATOM 0 HH TYR A 45 8.932 4.806 -6.855 1.00 0.00 H new ATOM 699 N ASP A 46 3.282 6.564 -6.652 1.00 0.00 N ATOM 700 CA ASP A 46 3.617 8.007 -6.865 1.00 0.00 C ATOM 701 C ASP A 46 5.132 8.209 -6.787 1.00 0.00 C ATOM 702 O ASP A 46 5.767 7.834 -5.819 1.00 0.00 O ATOM 703 CB ASP A 46 2.924 8.777 -5.734 1.00 0.00 C ATOM 704 CG ASP A 46 1.426 8.453 -5.717 1.00 0.00 C ATOM 705 OD1 ASP A 46 0.750 8.815 -6.666 1.00 0.00 O ATOM 706 OD2 ASP A 46 0.981 7.849 -4.755 1.00 0.00 O ATOM 0 H ASP A 46 3.817 6.099 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 46 3.286 8.354 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.372 8.513 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.071 9.848 -5.870 1.00 0.00 H new ATOM 711 N ASP A 47 5.711 8.806 -7.798 1.00 0.00 N ATOM 712 CA ASP A 47 7.188 9.045 -7.789 1.00 0.00 C ATOM 713 C ASP A 47 7.558 10.147 -6.780 1.00 0.00 C ATOM 714 O ASP A 47 8.722 10.388 -6.522 1.00 0.00 O ATOM 715 CB ASP A 47 7.539 9.479 -9.217 1.00 0.00 C ATOM 716 CG ASP A 47 6.751 10.740 -9.590 1.00 0.00 C ATOM 717 OD1 ASP A 47 7.111 11.802 -9.111 1.00 0.00 O ATOM 718 OD2 ASP A 47 5.803 10.619 -10.348 1.00 0.00 O ATOM 0 H ASP A 47 5.225 9.139 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 47 7.738 8.153 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.609 9.672 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.309 8.676 -9.917 1.00 0.00 H new ATOM 723 N ALA A 48 6.581 10.818 -6.208 1.00 0.00 N ATOM 724 CA ALA A 48 6.879 11.903 -5.216 1.00 0.00 C ATOM 725 C ALA A 48 7.775 11.374 -4.090 1.00 0.00 C ATOM 726 O ALA A 48 8.935 11.724 -3.988 1.00 0.00 O ATOM 727 CB ALA A 48 5.514 12.311 -4.657 1.00 0.00 C ATOM 0 H ALA A 48 5.589 10.660 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 48 7.407 12.740 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.645 13.104 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.881 12.670 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.043 11.450 -4.183 1.00 0.00 H new ATOM 733 N THR A 49 7.236 10.531 -3.250 1.00 0.00 N ATOM 734 CA THR A 49 8.036 9.963 -2.123 1.00 0.00 C ATOM 735 C THR A 49 7.829 8.448 -2.057 1.00 0.00 C ATOM 736 O THR A 49 7.791 7.860 -0.993 1.00 0.00 O ATOM 737 CB THR A 49 7.490 10.642 -0.861 1.00 0.00 C ATOM 738 OG1 THR A 49 8.168 10.129 0.278 1.00 0.00 O ATOM 739 CG2 THR A 49 5.986 10.372 -0.724 1.00 0.00 C ATOM 0 H THR A 49 6.269 10.209 -3.296 1.00 0.00 H new ATOM 0 HA THR A 49 9.106 10.137 -2.240 1.00 0.00 H new ATOM 0 HB THR A 49 7.652 11.717 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.282 9.160 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.609 10.859 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.465 10.767 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.814 9.298 -0.654 1.00 0.00 H new ATOM 747 N LYS A 50 7.688 7.817 -3.195 1.00 0.00 N ATOM 748 CA LYS A 50 7.473 6.335 -3.238 1.00 0.00 C ATOM 749 C LYS A 50 6.262 5.933 -2.388 1.00 0.00 C ATOM 750 O LYS A 50 6.340 5.037 -1.568 1.00 0.00 O ATOM 751 CB LYS A 50 8.757 5.707 -2.680 1.00 0.00 C ATOM 752 CG LYS A 50 9.951 6.129 -3.539 1.00 0.00 C ATOM 753 CD LYS A 50 11.225 5.469 -3.005 1.00 0.00 C ATOM 754 CE LYS A 50 12.146 5.114 -4.174 1.00 0.00 C ATOM 755 NZ LYS A 50 13.526 5.222 -3.622 1.00 0.00 N ATOM 0 H LYS A 50 7.713 8.270 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 50 7.269 5.994 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.909 6.023 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.668 4.621 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.786 5.839 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.057 7.214 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.736 6.144 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.973 4.571 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.946 4.108 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.001 5.796 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.216 4.993 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.690 6.192 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.636 4.557 -2.830 1.00 0.00 H new ATOM 769 N THR A 51 5.142 6.581 -2.591 1.00 0.00 N ATOM 770 CA THR A 51 3.917 6.231 -1.810 1.00 0.00 C ATOM 771 C THR A 51 3.001 5.348 -2.665 1.00 0.00 C ATOM 772 O THR A 51 3.208 5.200 -3.855 1.00 0.00 O ATOM 773 CB THR A 51 3.245 7.571 -1.491 1.00 0.00 C ATOM 774 OG1 THR A 51 4.128 8.362 -0.710 1.00 0.00 O ATOM 775 CG2 THR A 51 1.951 7.333 -0.707 1.00 0.00 C ATOM 0 H THR A 51 5.024 7.338 -3.265 1.00 0.00 H new ATOM 0 HA THR A 51 4.143 5.675 -0.900 1.00 0.00 H new ATOM 0 HB THR A 51 3.010 8.086 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.664 9.172 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.479 8.290 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.271 6.724 -1.303 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.180 6.816 0.225 1.00 0.00 H new ATOM 783 N TRP A 52 1.999 4.757 -2.067 1.00 0.00 N ATOM 784 CA TRP A 52 1.077 3.875 -2.840 1.00 0.00 C ATOM 785 C TRP A 52 -0.383 4.162 -2.477 1.00 0.00 C ATOM 786 O TRP A 52 -0.685 5.105 -1.771 1.00 0.00 O ATOM 787 CB TRP A 52 1.436 2.460 -2.407 1.00 0.00 C ATOM 788 CG TRP A 52 2.682 2.006 -3.090 1.00 0.00 C ATOM 789 CD1 TRP A 52 3.931 2.085 -2.582 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.807 1.384 -4.390 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.820 1.561 -3.505 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.171 1.114 -4.639 1.00 0.00 C ATOM 793 CE3 TRP A 52 1.869 1.039 -5.367 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.590 0.518 -5.829 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.281 0.437 -6.568 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.641 0.178 -6.799 1.00 0.00 C ATOM 0 H TRP A 52 1.780 4.848 -1.075 1.00 0.00 H new ATOM 0 HA TRP A 52 1.180 4.031 -3.914 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.574 2.428 -1.326 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.616 1.782 -2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.193 2.490 -1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.829 1.511 -3.365 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.821 1.236 -5.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.638 0.321 -6.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.548 0.173 -7.316 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.954 -0.283 -7.724 1.00 0.00 H new ATOM 807 N THR A 53 -1.286 3.337 -2.949 1.00 0.00 N ATOM 808 CA THR A 53 -2.734 3.532 -2.634 1.00 0.00 C ATOM 809 C THR A 53 -3.488 2.205 -2.784 1.00 0.00 C ATOM 810 O THR A 53 -2.927 1.205 -3.191 1.00 0.00 O ATOM 811 CB THR A 53 -3.242 4.556 -3.652 1.00 0.00 C ATOM 812 OG1 THR A 53 -2.269 5.577 -3.829 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.545 5.178 -3.150 1.00 0.00 C ATOM 0 H THR A 53 -1.080 2.533 -3.542 1.00 0.00 H new ATOM 0 HA THR A 53 -2.887 3.875 -1.611 1.00 0.00 H new ATOM 0 HB THR A 53 -3.422 4.056 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.221 5.823 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.904 5.907 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.294 4.397 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.367 5.675 -2.196 1.00 0.00 H new ATOM 821 N VAL A 54 -4.755 2.189 -2.449 1.00 0.00 N ATOM 822 CA VAL A 54 -5.561 0.926 -2.556 1.00 0.00 C ATOM 823 C VAL A 54 -7.041 1.233 -2.284 1.00 0.00 C ATOM 824 O VAL A 54 -7.500 1.179 -1.158 1.00 0.00 O ATOM 825 CB VAL A 54 -4.974 -0.030 -1.489 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.891 0.679 -0.138 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.850 -1.283 -1.341 1.00 0.00 C ATOM 0 H VAL A 54 -5.271 2.999 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.510 0.478 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.976 -0.326 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.477 -0.002 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.248 1.555 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.889 0.991 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.419 -1.941 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.855 -0.991 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.898 -1.808 -2.295 1.00 0.00 H new ATOM 837 N THR A 55 -7.785 1.552 -3.313 1.00 0.00 N ATOM 838 CA THR A 55 -9.235 1.863 -3.131 1.00 0.00 C ATOM 839 C THR A 55 -10.078 0.602 -3.336 1.00 0.00 C ATOM 840 O THR A 55 -9.936 -0.094 -4.323 1.00 0.00 O ATOM 841 CB THR A 55 -9.554 2.901 -4.210 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.493 3.843 -4.289 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.854 3.623 -3.857 1.00 0.00 C ATOM 0 H THR A 55 -7.449 1.611 -4.274 1.00 0.00 H new ATOM 0 HA THR A 55 -9.455 2.232 -2.129 1.00 0.00 H new ATOM 0 HB THR A 55 -9.668 2.401 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.696 4.507 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.080 4.362 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.667 2.900 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.743 4.123 -2.895 1.00 0.00 H new ATOM 851 N GLU A 56 -10.956 0.306 -2.409 1.00 0.00 N ATOM 852 CA GLU A 56 -11.814 -0.912 -2.546 1.00 0.00 C ATOM 853 C GLU A 56 -12.686 -0.805 -3.800 1.00 0.00 C ATOM 854 O GLU A 56 -13.198 0.274 -4.051 1.00 0.00 O ATOM 855 CB GLU A 56 -12.687 -0.938 -1.289 1.00 0.00 C ATOM 856 CG GLU A 56 -13.292 -2.332 -1.115 1.00 0.00 C ATOM 857 CD GLU A 56 -14.575 -2.232 -0.288 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.620 -2.006 -0.876 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.491 -2.383 0.920 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.827 -1.803 -4.487 1.00 0.00 O ATOM 0 H GLU A 56 -11.115 0.855 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.220 -1.821 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.091 -0.677 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.479 -0.194 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.508 -2.770 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.578 -2.991 -0.620 1.00 0.00 H new TER 867 GLU A 56