USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -4.7! C(o=-8.6!,f=-13!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.89! C(o=-8.6!,f=-15!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -2.21 F(o=-14,f=-11) USER MOD Set 2.2: A 37 MET CE :methyl -139:sc= -8.33! (180deg=-6.51!) USER MOD Single : A 1 MET CE :methyl -114:sc= -1.59 (180deg=-2.91!) USER MOD Single : A 1 MET N :NH3+ 144:sc= -5.16! (180deg=-8.94!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.17! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0706 X(o=-0.071,f=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0136 (180deg=-0.167) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.219 (180deg=-0.702) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.766 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.4!) USER MOD Single : A 35 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.37) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.412) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0801) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 174:sc= -0.897 (180deg=-1.05) USER MOD Single : A 74 SER OG : rot 180:sc= -0.387 USER MOD Single : A 81 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.057) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.917 1.495 -5.062 1.00 0.00 N ATOM 2 CA MET A 1 -10.934 0.392 -4.953 1.00 0.00 C ATOM 3 C MET A 1 -9.736 0.792 -4.098 1.00 0.00 C ATOM 4 O MET A 1 -9.285 1.935 -4.140 1.00 0.00 O ATOM 5 CB MET A 1 -10.487 0.029 -6.369 1.00 0.00 C ATOM 6 CG MET A 1 -9.365 -0.982 -6.449 1.00 0.00 C ATOM 7 SD MET A 1 -8.584 -1.013 -8.073 1.00 0.00 S ATOM 8 CE MET A 1 -8.089 0.698 -8.246 1.00 0.00 C ATOM 0 H1 MET A 1 -12.339 1.491 -6.013 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.665 1.365 -4.351 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.438 2.404 -4.899 1.00 0.00 H new ATOM 0 HA MET A 1 -11.396 -0.465 -4.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.346 -0.361 -6.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.172 0.940 -6.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.615 -0.750 -5.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.755 -1.973 -6.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.652 1.159 -9.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.290 1.231 -7.317 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.023 0.748 -8.469 1.00 0.00 H new ATOM 20 N PHE A 2 -9.222 -0.158 -3.324 1.00 0.00 N ATOM 21 CA PHE A 2 -8.074 0.103 -2.467 1.00 0.00 C ATOM 22 C PHE A 2 -6.792 0.070 -3.284 1.00 0.00 C ATOM 23 O PHE A 2 -6.724 -0.592 -4.321 1.00 0.00 O ATOM 24 CB PHE A 2 -7.999 -0.920 -1.331 1.00 0.00 C ATOM 25 CG PHE A 2 -9.087 -0.771 -0.305 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.295 -1.431 -0.456 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.897 0.022 0.814 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.294 -1.301 0.489 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.892 0.157 1.763 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.092 -0.506 1.600 1.00 0.00 C ATOM 0 H PHE A 2 -9.581 -1.111 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.192 1.094 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.047 -1.923 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.032 -0.829 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.458 -2.055 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.959 0.541 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.232 -1.820 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.731 0.780 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.872 -0.403 2.340 1.00 0.00 H new ATOM 40 N LYS A 3 -5.781 0.790 -2.821 1.00 0.00 N ATOM 41 CA LYS A 3 -4.507 0.847 -3.521 1.00 0.00 C ATOM 42 C LYS A 3 -3.351 0.608 -2.563 1.00 0.00 C ATOM 43 O LYS A 3 -3.180 1.341 -1.592 1.00 0.00 O ATOM 44 CB LYS A 3 -4.345 2.207 -4.199 1.00 0.00 C ATOM 45 CG LYS A 3 -4.951 2.274 -5.590 1.00 0.00 C ATOM 46 CD LYS A 3 -6.385 2.779 -5.545 1.00 0.00 C ATOM 47 CE LYS A 3 -6.606 3.925 -6.519 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.489 4.979 -5.945 1.00 0.00 N ATOM 0 H LYS A 3 -5.818 1.342 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.496 0.062 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.807 2.971 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.284 2.447 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.351 2.932 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.926 1.285 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.067 1.962 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.623 3.109 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.645 4.363 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.049 3.541 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.615 5.743 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.415 4.567 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.054 5.364 -5.082 1.00 0.00 H new ATOM 62 N VAL A 4 -2.554 -0.415 -2.836 1.00 0.00 N ATOM 63 CA VAL A 4 -1.413 -0.719 -1.983 1.00 0.00 C ATOM 64 C VAL A 4 -0.108 -0.284 -2.628 1.00 0.00 C ATOM 65 O VAL A 4 0.225 -0.703 -3.736 1.00 0.00 O ATOM 66 CB VAL A 4 -1.322 -2.220 -1.631 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.089 -2.593 -1.195 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.305 -2.565 -0.532 1.00 0.00 C ATOM 0 H VAL A 4 -2.673 -1.042 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.571 -0.158 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.571 -2.790 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.126 -3.655 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.788 -2.381 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.364 -2.010 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.229 -3.626 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.077 -1.978 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.318 -2.340 -0.866 1.00 0.00 H new ATOM 78 N TYR A 5 0.636 0.538 -1.905 1.00 0.00 N ATOM 79 CA TYR A 5 1.922 1.013 -2.380 1.00 0.00 C ATOM 80 C TYR A 5 3.032 0.202 -1.725 1.00 0.00 C ATOM 81 O TYR A 5 3.399 0.459 -0.582 1.00 0.00 O ATOM 82 CB TYR A 5 2.108 2.496 -2.044 1.00 0.00 C ATOM 83 CG TYR A 5 1.292 3.451 -2.890 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.080 3.073 -3.459 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.739 4.746 -3.110 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.657 3.960 -4.223 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.009 5.638 -3.872 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.188 5.240 -4.425 1.00 0.00 C ATOM 89 OH TYR A 5 -0.920 6.126 -5.184 1.00 0.00 O ATOM 0 H TYR A 5 0.369 0.890 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 5 1.962 0.893 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.850 2.651 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.163 2.748 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.291 2.071 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.676 5.063 -2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.595 3.651 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.375 6.641 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.450 6.985 -5.228 1.00 0.00 H new ATOM 99 N GLY A 6 3.555 -0.784 -2.442 1.00 0.00 N ATOM 100 CA GLY A 6 4.606 -1.611 -1.888 1.00 0.00 C ATOM 101 C GLY A 6 5.384 -2.364 -2.950 1.00 0.00 C ATOM 102 O GLY A 6 5.741 -1.800 -3.984 1.00 0.00 O ATOM 0 H GLY A 6 3.271 -1.024 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.292 -0.985 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.170 -2.325 -1.189 1.00 0.00 H new ATOM 106 N TYR A 7 5.668 -3.633 -2.684 1.00 0.00 N ATOM 107 CA TYR A 7 6.427 -4.457 -3.602 1.00 0.00 C ATOM 108 C TYR A 7 5.645 -5.717 -3.981 1.00 0.00 C ATOM 109 O TYR A 7 4.875 -6.238 -3.174 1.00 0.00 O ATOM 110 CB TYR A 7 7.756 -4.796 -2.952 1.00 0.00 C ATOM 111 CG TYR A 7 8.436 -3.556 -2.421 1.00 0.00 C ATOM 112 CD1 TYR A 7 7.927 -2.908 -1.308 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.546 -3.003 -3.052 1.00 0.00 C ATOM 114 CE1 TYR A 7 8.497 -1.750 -0.835 1.00 0.00 C ATOM 115 CE2 TYR A 7 10.121 -1.848 -2.579 1.00 0.00 C ATOM 116 CZ TYR A 7 9.593 -1.219 -1.475 1.00 0.00 C ATOM 117 OH TYR A 7 10.171 -0.059 -1.006 1.00 0.00 O ATOM 0 H TYR A 7 5.379 -4.112 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 7 6.608 -3.913 -4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.596 -5.503 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.404 -5.287 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.066 -3.320 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.961 -3.487 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.086 -1.259 0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.987 -1.434 -3.074 1.00 0.00 H new ATOM 0 HH TYR A 7 10.935 0.178 -1.572 1.00 0.00 H new ATOM 127 N ASP A 8 5.816 -6.186 -5.215 1.00 0.00 N ATOM 128 CA ASP A 8 5.090 -7.365 -5.688 1.00 0.00 C ATOM 129 C ASP A 8 5.853 -8.664 -5.436 1.00 0.00 C ATOM 130 O ASP A 8 5.550 -9.691 -6.045 1.00 0.00 O ATOM 131 CB ASP A 8 4.786 -7.238 -7.181 1.00 0.00 C ATOM 132 CG ASP A 8 4.160 -5.903 -7.536 1.00 0.00 C ATOM 133 OD1 ASP A 8 4.714 -4.860 -7.131 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.116 -5.901 -8.222 1.00 0.00 O ATOM 0 H ASP A 8 6.446 -5.772 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 8 4.161 -7.410 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.708 -7.365 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.114 -8.042 -7.481 1.00 0.00 H new ATOM 139 N SER A 9 6.836 -8.626 -4.541 1.00 0.00 N ATOM 140 CA SER A 9 7.626 -9.818 -4.224 1.00 0.00 C ATOM 141 C SER A 9 8.567 -10.192 -5.371 1.00 0.00 C ATOM 142 O SER A 9 9.282 -11.190 -5.294 1.00 0.00 O ATOM 143 CB SER A 9 6.705 -10.999 -3.907 1.00 0.00 C ATOM 144 OG SER A 9 7.301 -11.876 -2.966 1.00 0.00 O ATOM 0 H SER A 9 7.106 -7.789 -4.024 1.00 0.00 H new ATOM 0 HA SER A 9 8.232 -9.585 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.758 -10.630 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.479 -11.544 -4.824 1.00 0.00 H new ATOM 0 HG SER A 9 6.691 -12.620 -2.780 1.00 0.00 H new ATOM 150 N ASN A 10 8.567 -9.386 -6.433 1.00 0.00 N ATOM 151 CA ASN A 10 9.423 -9.643 -7.584 1.00 0.00 C ATOM 152 C ASN A 10 10.811 -9.056 -7.363 1.00 0.00 C ATOM 153 O ASN A 10 11.820 -9.751 -7.487 1.00 0.00 O ATOM 154 CB ASN A 10 8.802 -9.046 -8.849 1.00 0.00 C ATOM 155 CG ASN A 10 7.828 -9.994 -9.519 1.00 0.00 C ATOM 156 OD1 ASN A 10 8.106 -11.183 -9.670 1.00 0.00 O ATOM 157 ND2 ASN A 10 6.676 -9.470 -9.926 1.00 0.00 N ATOM 0 H ASN A 10 7.985 -8.553 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 10 9.516 -10.722 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.286 -8.120 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.594 -8.787 -9.552 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.981 -10.060 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.487 -8.478 -9.780 1.00 0.00 H new ATOM 164 N ILE A 11 10.851 -7.771 -7.036 1.00 0.00 N ATOM 165 CA ILE A 11 12.113 -7.079 -6.798 1.00 0.00 C ATOM 166 C ILE A 11 12.272 -6.703 -5.331 1.00 0.00 C ATOM 167 O ILE A 11 13.184 -5.956 -4.977 1.00 0.00 O ATOM 168 CB ILE A 11 12.223 -5.784 -7.632 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.480 -5.931 -8.964 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.685 -5.421 -7.858 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.732 -4.790 -9.928 1.00 0.00 C ATOM 0 H ILE A 11 10.023 -7.185 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 11 12.898 -7.775 -7.094 1.00 0.00 H new ATOM 0 HB ILE A 11 11.753 -4.973 -7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.779 -6.867 -9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.410 -6.000 -8.768 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.746 -4.506 -8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.174 -5.266 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.182 -6.230 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.174 -4.962 -10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.407 -3.853 -9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.797 -4.733 -10.154 1.00 0.00 H new ATOM 183 N HIS A 12 11.388 -7.204 -4.472 1.00 0.00 N ATOM 184 CA HIS A 12 11.475 -6.872 -3.064 1.00 0.00 C ATOM 185 C HIS A 12 10.530 -7.748 -2.261 1.00 0.00 C ATOM 186 O HIS A 12 9.397 -7.995 -2.670 1.00 0.00 O ATOM 187 CB HIS A 12 11.104 -5.414 -2.889 1.00 0.00 C ATOM 188 CG HIS A 12 11.748 -4.732 -1.734 1.00 0.00 C ATOM 189 ND1 HIS A 12 12.875 -4.005 -1.728 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 11.280 -4.728 -0.445 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 13.129 -3.552 -0.438 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 12.138 -4.015 0.298 1.00 0.00 N flip ATOM 0 H HIS A 12 10.621 -7.828 -4.724 1.00 0.00 H new ATOM 0 HA HIS A 12 12.490 -7.043 -2.706 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.366 -4.877 -3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.022 -5.342 -2.776 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.382 -5.212 -0.092 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.962 -2.949 -0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.038 -3.852 1.300 1.00 0.00 H new ATOM 200 N LYS A 13 11.004 -8.213 -1.123 1.00 0.00 N ATOM 201 CA LYS A 13 10.205 -9.082 -0.258 1.00 0.00 C ATOM 202 C LYS A 13 9.219 -8.286 0.602 1.00 0.00 C ATOM 203 O LYS A 13 9.345 -7.070 0.749 1.00 0.00 O ATOM 204 CB LYS A 13 11.124 -9.936 0.624 1.00 0.00 C ATOM 205 CG LYS A 13 11.616 -9.229 1.879 1.00 0.00 C ATOM 206 CD LYS A 13 10.868 -9.704 3.115 1.00 0.00 C ATOM 207 CE LYS A 13 11.764 -9.703 4.344 1.00 0.00 C ATOM 208 NZ LYS A 13 12.791 -10.779 4.283 1.00 0.00 N ATOM 0 H LYS A 13 11.938 -8.008 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 13 9.615 -9.737 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.591 -10.841 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.986 -10.249 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.683 -9.411 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.487 -8.153 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.007 -9.059 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.483 -10.710 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.257 -8.735 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.154 -9.833 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.161 -10.960 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.361 -11.648 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.569 -10.481 3.661 1.00 0.00 H new ATOM 222 N CYS A 14 8.240 -8.992 1.171 1.00 0.00 N ATOM 223 CA CYS A 14 7.225 -8.368 2.022 1.00 0.00 C ATOM 224 C CYS A 14 6.293 -9.420 2.627 1.00 0.00 C ATOM 225 O CYS A 14 5.675 -10.204 1.906 1.00 0.00 O ATOM 226 CB CYS A 14 6.409 -7.346 1.227 1.00 0.00 C ATOM 227 SG CYS A 14 5.709 -7.989 -0.329 1.00 0.00 S ATOM 0 H CYS A 14 8.129 -9.999 1.057 1.00 0.00 H new ATOM 0 HA CYS A 14 7.742 -7.855 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.595 -6.982 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.044 -6.490 0.999 1.00 0.00 H new ATOM 232 N VAL A 15 6.200 -9.432 3.957 1.00 0.00 N ATOM 233 CA VAL A 15 5.344 -10.388 4.662 1.00 0.00 C ATOM 234 C VAL A 15 3.943 -9.826 4.889 1.00 0.00 C ATOM 235 O VAL A 15 2.953 -10.555 4.823 1.00 0.00 O ATOM 236 CB VAL A 15 5.938 -10.787 6.026 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.091 -11.760 5.844 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.382 -9.555 6.802 1.00 0.00 C ATOM 0 H VAL A 15 6.706 -8.791 4.568 1.00 0.00 H new ATOM 0 HA VAL A 15 5.283 -11.269 4.023 1.00 0.00 H new ATOM 0 HB VAL A 15 5.161 -11.287 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.497 -12.030 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.734 -12.657 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.871 -11.292 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.798 -9.860 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.141 -9.019 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.525 -8.902 6.969 1.00 0.00 H new ATOM 248 N TYR A 16 3.869 -8.530 5.175 1.00 0.00 N ATOM 249 CA TYR A 16 2.592 -7.871 5.430 1.00 0.00 C ATOM 250 C TYR A 16 1.814 -7.637 4.138 1.00 0.00 C ATOM 251 O TYR A 16 0.604 -7.411 4.167 1.00 0.00 O ATOM 252 CB TYR A 16 2.818 -6.537 6.144 1.00 0.00 C ATOM 253 CG TYR A 16 2.917 -6.660 7.649 1.00 0.00 C ATOM 254 CD1 TYR A 16 1.789 -6.912 8.421 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.138 -6.520 8.298 1.00 0.00 C ATOM 256 CE1 TYR A 16 1.876 -7.021 9.795 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.231 -6.629 9.672 1.00 0.00 C ATOM 258 CZ TYR A 16 3.099 -6.879 10.416 1.00 0.00 C ATOM 259 OH TYR A 16 3.188 -6.988 11.785 1.00 0.00 O ATOM 0 H TYR A 16 4.680 -7.914 5.236 1.00 0.00 H new ATOM 0 HA TYR A 16 2.003 -8.530 6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.733 -6.083 5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.000 -5.860 5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.829 -7.024 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.028 -6.323 7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.990 -7.217 10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.188 -6.519 10.161 1.00 0.00 H new ATOM 0 HH TYR A 16 4.119 -6.864 12.063 1.00 0.00 H new ATOM 269 N CYS A 17 2.509 -7.685 3.005 1.00 0.00 N ATOM 270 CA CYS A 17 1.866 -7.470 1.716 1.00 0.00 C ATOM 271 C CYS A 17 0.958 -8.643 1.355 1.00 0.00 C ATOM 272 O CYS A 17 -0.107 -8.458 0.768 1.00 0.00 O ATOM 273 CB CYS A 17 2.915 -7.253 0.621 1.00 0.00 C ATOM 274 SG CYS A 17 3.898 -8.733 0.214 1.00 0.00 S ATOM 0 H CYS A 17 3.511 -7.870 2.955 1.00 0.00 H new ATOM 0 HA CYS A 17 1.251 -6.574 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.413 -6.906 -0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.591 -6.458 0.935 1.00 0.00 H new ATOM 279 N ASP A 18 1.385 -9.850 1.716 1.00 0.00 N ATOM 280 CA ASP A 18 0.609 -11.054 1.430 1.00 0.00 C ATOM 281 C ASP A 18 -0.631 -11.140 2.318 1.00 0.00 C ATOM 282 O ASP A 18 -1.633 -11.749 1.943 1.00 0.00 O ATOM 283 CB ASP A 18 1.476 -12.300 1.627 1.00 0.00 C ATOM 284 CG ASP A 18 0.961 -13.490 0.839 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.336 -13.625 -0.343 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.182 -14.285 1.407 1.00 0.00 O ATOM 0 H ASP A 18 2.263 -10.021 2.206 1.00 0.00 H new ATOM 0 HA ASP A 18 0.281 -11.001 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.499 -12.080 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.507 -12.554 2.686 1.00 0.00 H new ATOM 291 N ASN A 19 -0.557 -10.531 3.498 1.00 0.00 N ATOM 292 CA ASN A 19 -1.674 -10.545 4.437 1.00 0.00 C ATOM 293 C ASN A 19 -2.761 -9.562 4.011 1.00 0.00 C ATOM 294 O ASN A 19 -3.939 -9.912 3.951 1.00 0.00 O ATOM 295 CB ASN A 19 -1.188 -10.206 5.849 1.00 0.00 C ATOM 296 CG ASN A 19 -0.677 -11.425 6.593 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.416 -12.384 6.817 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.593 -11.393 6.982 1.00 0.00 N ATOM 0 H ASN A 19 0.264 -10.022 3.826 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.099 -11.549 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.394 -9.462 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.005 -9.755 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.992 -12.184 7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.169 -10.577 6.775 1.00 0.00 H new ATOM 305 N ALA A 20 -2.357 -8.330 3.715 1.00 0.00 N ATOM 306 CA ALA A 20 -3.293 -7.295 3.295 1.00 0.00 C ATOM 307 C ALA A 20 -4.131 -7.756 2.109 1.00 0.00 C ATOM 308 O ALA A 20 -5.352 -7.595 2.097 1.00 0.00 O ATOM 309 CB ALA A 20 -2.541 -6.019 2.946 1.00 0.00 C ATOM 0 H ALA A 20 -1.385 -8.025 3.759 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.970 -7.094 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.250 -5.253 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.991 -5.670 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.842 -6.219 2.134 1.00 0.00 H new ATOM 315 N LYS A 21 -3.469 -8.337 1.116 1.00 0.00 N ATOM 316 CA LYS A 21 -4.153 -8.823 -0.076 1.00 0.00 C ATOM 317 C LYS A 21 -5.184 -9.890 0.283 1.00 0.00 C ATOM 318 O LYS A 21 -6.352 -9.790 -0.093 1.00 0.00 O ATOM 319 CB LYS A 21 -3.139 -9.395 -1.071 1.00 0.00 C ATOM 320 CG LYS A 21 -3.764 -9.880 -2.369 1.00 0.00 C ATOM 321 CD LYS A 21 -2.994 -11.052 -2.955 1.00 0.00 C ATOM 322 CE LYS A 21 -1.623 -10.624 -3.453 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.700 -9.411 -4.313 1.00 0.00 N ATOM 0 H LYS A 21 -2.460 -8.483 1.112 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.672 -7.982 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.396 -8.631 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.610 -10.224 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.797 -10.176 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.788 -9.063 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.881 -11.829 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.562 -11.487 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.973 -10.425 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.170 -11.440 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.827 -9.325 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.515 -9.491 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.812 -8.568 -3.715 1.00 0.00 H new ATOM 337 N ARG A 22 -4.744 -10.910 1.014 1.00 0.00 N ATOM 338 CA ARG A 22 -5.628 -11.997 1.422 1.00 0.00 C ATOM 339 C ARG A 22 -6.779 -11.471 2.276 1.00 0.00 C ATOM 340 O ARG A 22 -7.917 -11.923 2.150 1.00 0.00 O ATOM 341 CB ARG A 22 -4.843 -13.058 2.198 1.00 0.00 C ATOM 342 CG ARG A 22 -4.793 -14.408 1.502 1.00 0.00 C ATOM 343 CD ARG A 22 -6.180 -15.019 1.368 1.00 0.00 C ATOM 344 NE ARG A 22 -6.152 -16.288 0.645 1.00 0.00 N ATOM 345 CZ ARG A 22 -7.240 -16.982 0.323 1.00 0.00 C ATOM 346 NH1 ARG A 22 -8.444 -16.536 0.657 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.125 -18.128 -0.337 1.00 0.00 N ATOM 0 H ARG A 22 -3.781 -11.007 1.336 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.045 -12.450 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.825 -12.702 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.293 -13.183 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.348 -14.292 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.149 -15.085 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.604 -15.176 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.835 -14.320 0.848 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.244 -16.664 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.539 -15.656 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.274 -17.073 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.202 -18.476 -0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.959 -18.660 -0.584 1.00 0.00 H new ATOM 361 N LEU A 23 -6.474 -10.510 3.141 1.00 0.00 N ATOM 362 CA LEU A 23 -7.479 -9.915 4.015 1.00 0.00 C ATOM 363 C LEU A 23 -8.610 -9.306 3.196 1.00 0.00 C ATOM 364 O LEU A 23 -9.782 -9.621 3.404 1.00 0.00 O ATOM 365 CB LEU A 23 -6.832 -8.842 4.898 1.00 0.00 C ATOM 366 CG LEU A 23 -7.802 -7.984 5.715 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.083 -7.349 6.893 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.436 -6.911 4.842 1.00 0.00 C ATOM 0 H LEU A 23 -5.536 -10.125 3.256 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.896 -10.697 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.141 -9.330 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.239 -8.184 4.263 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.594 -8.630 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.786 -6.742 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.674 -8.130 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.273 -6.718 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.122 -6.312 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.657 -6.268 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.984 -7.383 4.026 1.00 0.00 H new ATOM 380 N LEU A 24 -8.247 -8.433 2.265 1.00 0.00 N ATOM 381 CA LEU A 24 -9.227 -7.772 1.411 1.00 0.00 C ATOM 382 C LEU A 24 -10.082 -8.794 0.674 1.00 0.00 C ATOM 383 O LEU A 24 -11.308 -8.684 0.643 1.00 0.00 O ATOM 384 CB LEU A 24 -8.520 -6.857 0.412 1.00 0.00 C ATOM 385 CG LEU A 24 -7.861 -5.623 1.031 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.553 -5.307 0.329 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.799 -4.431 0.966 1.00 0.00 C ATOM 0 H LEU A 24 -7.280 -8.166 2.081 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.882 -7.171 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.759 -7.434 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.243 -6.530 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.646 -5.838 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.100 -4.426 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.875 -6.155 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.744 -5.113 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.314 -3.562 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.044 -4.217 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.713 -4.657 1.515 1.00 0.00 H new ATOM 399 N THR A 25 -9.431 -9.797 0.093 1.00 0.00 N ATOM 400 CA THR A 25 -10.141 -10.845 -0.631 1.00 0.00 C ATOM 401 C THR A 25 -11.167 -11.509 0.279 1.00 0.00 C ATOM 402 O THR A 25 -12.265 -11.864 -0.152 1.00 0.00 O ATOM 403 CB THR A 25 -9.156 -11.890 -1.159 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.065 -11.266 -1.813 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.782 -12.862 -2.135 1.00 0.00 C ATOM 0 H THR A 25 -8.417 -9.906 0.109 1.00 0.00 H new ATOM 0 HA THR A 25 -10.658 -10.393 -1.477 1.00 0.00 H new ATOM 0 HB THR A 25 -8.825 -12.444 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.441 -10.915 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.030 -13.576 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.596 -13.396 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.172 -12.315 -2.994 1.00 0.00 H new ATOM 413 N VAL A 26 -10.800 -11.656 1.548 1.00 0.00 N ATOM 414 CA VAL A 26 -11.678 -12.261 2.542 1.00 0.00 C ATOM 415 C VAL A 26 -12.738 -11.265 3.004 1.00 0.00 C ATOM 416 O VAL A 26 -13.834 -11.652 3.410 1.00 0.00 O ATOM 417 CB VAL A 26 -10.876 -12.750 3.764 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.789 -13.427 4.776 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.762 -13.691 3.329 1.00 0.00 C ATOM 0 H VAL A 26 -9.894 -11.362 1.913 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.165 -13.115 2.071 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.424 -11.882 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.200 -13.764 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.546 -12.719 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.276 -14.284 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.206 -14.026 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.192 -14.554 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.088 -13.168 2.650 1.00 0.00 H new ATOM 429 N LYS A 27 -12.402 -9.980 2.935 1.00 0.00 N ATOM 430 CA LYS A 27 -13.319 -8.922 3.343 1.00 0.00 C ATOM 431 C LYS A 27 -14.307 -8.583 2.225 1.00 0.00 C ATOM 432 O LYS A 27 -15.282 -7.866 2.447 1.00 0.00 O ATOM 433 CB LYS A 27 -12.533 -7.670 3.742 1.00 0.00 C ATOM 434 CG LYS A 27 -12.957 -7.080 5.078 1.00 0.00 C ATOM 435 CD LYS A 27 -14.078 -6.066 4.909 1.00 0.00 C ATOM 436 CE LYS A 27 -15.047 -6.107 6.081 1.00 0.00 C ATOM 437 NZ LYS A 27 -16.442 -5.805 5.658 1.00 0.00 N ATOM 0 H LYS A 27 -11.499 -9.646 2.599 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.887 -9.281 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.472 -7.916 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.654 -6.914 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.285 -7.879 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.101 -6.602 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.655 -5.065 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.616 -6.268 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.014 -7.093 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.733 -5.387 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.071 -5.843 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.479 -4.854 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.751 -6.506 4.955 1.00 0.00 H new ATOM 451 N LYS A 28 -14.047 -9.099 1.023 1.00 0.00 N ATOM 452 CA LYS A 28 -14.912 -8.845 -0.126 1.00 0.00 C ATOM 453 C LYS A 28 -14.850 -7.376 -0.534 1.00 0.00 C ATOM 454 O LYS A 28 -15.856 -6.666 -0.510 1.00 0.00 O ATOM 455 CB LYS A 28 -16.358 -9.247 0.188 1.00 0.00 C ATOM 456 CG LYS A 28 -16.752 -10.595 -0.390 1.00 0.00 C ATOM 457 CD LYS A 28 -17.435 -10.445 -1.740 1.00 0.00 C ATOM 458 CE LYS A 28 -16.423 -10.302 -2.864 1.00 0.00 C ATOM 459 NZ LYS A 28 -17.074 -10.307 -4.203 1.00 0.00 N ATOM 0 H LYS A 28 -13.244 -9.695 0.821 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.555 -9.451 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.493 -9.271 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.031 -8.483 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.865 -11.219 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.420 -11.107 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.068 -11.313 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.088 -9.572 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.866 -9.374 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.701 -11.117 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.349 -10.207 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.585 -11.203 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.744 -9.514 -4.266 1.00 0.00 H new ATOM 473 N GLN A 29 -13.658 -6.924 -0.909 1.00 0.00 N ATOM 474 CA GLN A 29 -13.463 -5.540 -1.319 1.00 0.00 C ATOM 475 C GLN A 29 -12.582 -5.452 -2.562 1.00 0.00 C ATOM 476 O GLN A 29 -11.602 -6.186 -2.690 1.00 0.00 O ATOM 477 CB GLN A 29 -12.833 -4.737 -0.179 1.00 0.00 C ATOM 478 CG GLN A 29 -13.852 -4.050 0.715 1.00 0.00 C ATOM 479 CD GLN A 29 -14.722 -3.063 -0.039 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.396 -1.880 -0.138 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.837 -3.544 -0.575 1.00 0.00 N ATOM 0 H GLN A 29 -12.814 -7.496 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.439 -5.120 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.220 -5.403 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.166 -3.985 -0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.486 -4.804 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.331 -3.529 1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.069 -4.532 -0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.462 -2.926 -1.093 1.00 0.00 H new ATOM 490 N PRO A 30 -12.910 -4.539 -3.493 1.00 0.00 N ATOM 491 CA PRO A 30 -12.134 -4.351 -4.719 1.00 0.00 C ATOM 492 C PRO A 30 -10.864 -3.555 -4.461 1.00 0.00 C ATOM 493 O PRO A 30 -10.901 -2.513 -3.808 1.00 0.00 O ATOM 494 CB PRO A 30 -13.085 -3.555 -5.606 1.00 0.00 C ATOM 495 CG PRO A 30 -13.868 -2.737 -4.642 1.00 0.00 C ATOM 496 CD PRO A 30 -14.054 -3.606 -3.424 1.00 0.00 C ATOM 0 HA PRO A 30 -11.806 -5.294 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.542 -2.929 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.730 -4.211 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.340 -1.818 -4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.829 -2.446 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.040 -3.019 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.007 -4.135 -3.449 1.00 0.00 H new ATOM 504 N PHE A 31 -9.741 -4.046 -4.965 1.00 0.00 N ATOM 505 CA PHE A 31 -8.475 -3.362 -4.768 1.00 0.00 C ATOM 506 C PHE A 31 -7.459 -3.721 -5.847 1.00 0.00 C ATOM 507 O PHE A 31 -7.666 -4.648 -6.629 1.00 0.00 O ATOM 508 CB PHE A 31 -7.921 -3.676 -3.394 1.00 0.00 C ATOM 509 CG PHE A 31 -7.282 -5.024 -3.316 1.00 0.00 C ATOM 510 CD1 PHE A 31 -5.982 -5.204 -3.738 1.00 0.00 C ATOM 511 CD2 PHE A 31 -7.992 -6.110 -2.843 1.00 0.00 C ATOM 512 CE1 PHE A 31 -5.395 -6.448 -3.693 1.00 0.00 C ATOM 513 CE2 PHE A 31 -7.414 -7.359 -2.791 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.111 -7.532 -3.217 1.00 0.00 C ATOM 0 H PHE A 31 -9.682 -4.907 -5.508 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.663 -2.291 -4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.188 -2.916 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.726 -3.619 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.418 -4.360 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.011 -5.978 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.377 -6.578 -4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.978 -8.201 -2.418 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.653 -8.509 -3.179 1.00 0.00 H new ATOM 524 N GLU A 32 -6.354 -2.982 -5.873 1.00 0.00 N ATOM 525 CA GLU A 32 -5.297 -3.221 -6.847 1.00 0.00 C ATOM 526 C GLU A 32 -3.933 -2.900 -6.254 1.00 0.00 C ATOM 527 O GLU A 32 -3.804 -2.014 -5.408 1.00 0.00 O ATOM 528 CB GLU A 32 -5.526 -2.382 -8.106 1.00 0.00 C ATOM 529 CG GLU A 32 -6.413 -3.063 -9.135 1.00 0.00 C ATOM 530 CD GLU A 32 -5.674 -4.124 -9.929 1.00 0.00 C ATOM 531 OE1 GLU A 32 -4.996 -3.763 -10.914 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.774 -5.315 -9.566 1.00 0.00 O ATOM 0 H GLU A 32 -6.168 -2.212 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.321 -4.277 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.976 -1.431 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.562 -2.155 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.265 -3.519 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.811 -2.314 -9.819 1.00 0.00 H new ATOM 539 N PHE A 33 -2.920 -3.630 -6.697 1.00 0.00 N ATOM 540 CA PHE A 33 -1.567 -3.432 -6.212 1.00 0.00 C ATOM 541 C PHE A 33 -0.822 -2.399 -7.049 1.00 0.00 C ATOM 542 O PHE A 33 -1.206 -2.106 -8.181 1.00 0.00 O ATOM 543 CB PHE A 33 -0.811 -4.757 -6.236 1.00 0.00 C ATOM 544 CG PHE A 33 0.303 -4.812 -5.242 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.028 -4.812 -3.889 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.619 -4.855 -5.660 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.052 -4.855 -2.963 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.648 -4.898 -4.742 1.00 0.00 C ATOM 549 CZ PHE A 33 2.364 -4.897 -3.390 1.00 0.00 C ATOM 0 H PHE A 33 -3.013 -4.368 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.626 -3.060 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.509 -5.571 -6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.407 -4.921 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.997 -4.778 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.845 -4.855 -6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.827 -4.856 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.673 -4.932 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.167 -4.929 -2.668 1.00 0.00 H new ATOM 559 N ILE A 34 0.254 -1.859 -6.484 1.00 0.00 N ATOM 560 CA ILE A 34 1.072 -0.870 -7.172 1.00 0.00 C ATOM 561 C ILE A 34 2.535 -1.033 -6.794 1.00 0.00 C ATOM 562 O ILE A 34 2.910 -0.922 -5.628 1.00 0.00 O ATOM 563 CB ILE A 34 0.637 0.568 -6.857 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.880 0.697 -6.971 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.332 1.546 -7.792 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.413 2.022 -6.474 1.00 0.00 C ATOM 0 H ILE A 34 0.580 -2.093 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 34 0.937 -1.043 -8.240 1.00 0.00 H new ATOM 0 HB ILE A 34 0.927 0.807 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.170 0.566 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.348 -0.109 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.014 2.562 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.412 1.465 -7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.069 1.313 -8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.497 2.043 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.154 2.147 -5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.973 2.832 -7.055 1.00 0.00 H new ATOM 578 N ASN A 35 3.350 -1.302 -7.796 1.00 0.00 N ATOM 579 CA ASN A 35 4.779 -1.493 -7.598 1.00 0.00 C ATOM 580 C ASN A 35 5.502 -0.155 -7.508 1.00 0.00 C ATOM 581 O ASN A 35 5.390 0.684 -8.401 1.00 0.00 O ATOM 582 CB ASN A 35 5.368 -2.322 -8.740 1.00 0.00 C ATOM 583 CG ASN A 35 5.072 -1.723 -10.101 1.00 0.00 C ATOM 584 OD1 ASN A 35 5.844 -0.915 -10.616 1.00 0.00 O ATOM 585 ND2 ASN A 35 3.950 -2.118 -10.690 1.00 0.00 N ATOM 0 H ASN A 35 3.046 -1.394 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 35 4.919 -2.026 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.447 -2.402 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.965 -3.334 -8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.698 -1.749 -11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.340 -2.790 -10.226 1.00 0.00 H new ATOM 592 N ILE A 36 6.246 0.034 -6.425 1.00 0.00 N ATOM 593 CA ILE A 36 6.994 1.267 -6.219 1.00 0.00 C ATOM 594 C ILE A 36 8.465 1.094 -6.598 1.00 0.00 C ATOM 595 O ILE A 36 9.204 2.071 -6.700 1.00 0.00 O ATOM 596 CB ILE A 36 6.907 1.741 -4.755 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.466 0.674 -3.815 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.468 2.077 -4.387 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.286 1.242 -2.679 1.00 0.00 C ATOM 0 H ILE A 36 6.347 -0.651 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 36 6.542 2.019 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 36 7.508 2.644 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.640 0.095 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.084 -0.017 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.426 2.410 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.102 2.871 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.845 1.191 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.651 0.429 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.133 1.797 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.666 1.911 -2.082 1.00 0.00 H new ATOM 611 N MET A 37 8.886 -0.152 -6.804 1.00 0.00 N ATOM 612 CA MET A 37 10.267 -0.435 -7.168 1.00 0.00 C ATOM 613 C MET A 37 10.351 -1.087 -8.548 1.00 0.00 C ATOM 614 O MET A 37 10.266 -2.309 -8.673 1.00 0.00 O ATOM 615 CB MET A 37 10.924 -1.336 -6.117 1.00 0.00 C ATOM 616 CG MET A 37 12.433 -1.172 -6.023 1.00 0.00 C ATOM 617 SD MET A 37 13.205 -2.396 -4.941 1.00 0.00 S ATOM 618 CE MET A 37 13.265 -1.507 -3.385 1.00 0.00 C ATOM 0 H MET A 37 8.291 -0.977 -6.725 1.00 0.00 H new ATOM 0 HA MET A 37 10.804 0.513 -7.206 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.484 -1.123 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.695 -2.376 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.865 -1.252 -7.020 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.663 -0.172 -5.655 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.218 -1.699 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 37 13.162 -0.438 -3.572 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.451 -1.843 -2.743 1.00 0.00 H new ATOM 628 N PRO A 38 10.519 -0.273 -9.608 1.00 0.00 N ATOM 629 CA PRO A 38 10.620 -0.777 -10.983 1.00 0.00 C ATOM 630 C PRO A 38 11.922 -1.536 -11.210 1.00 0.00 C ATOM 631 O PRO A 38 11.994 -2.441 -12.041 1.00 0.00 O ATOM 632 CB PRO A 38 10.585 0.495 -11.834 1.00 0.00 C ATOM 633 CG PRO A 38 11.094 1.566 -10.933 1.00 0.00 C ATOM 634 CD PRO A 38 10.630 1.196 -9.551 1.00 0.00 C ATOM 0 HA PRO A 38 9.825 -1.482 -11.225 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.209 0.395 -12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.574 0.714 -12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.181 1.629 -10.976 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.706 2.541 -11.227 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.341 1.516 -8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.674 1.662 -9.310 1.00 0.00 H new ATOM 642 N GLU A 39 12.946 -1.156 -10.455 1.00 0.00 N ATOM 643 CA GLU A 39 14.253 -1.789 -10.551 1.00 0.00 C ATOM 644 C GLU A 39 14.853 -1.960 -9.162 1.00 0.00 C ATOM 645 O GLU A 39 14.629 -1.136 -8.277 1.00 0.00 O ATOM 646 CB GLU A 39 15.191 -0.951 -11.422 1.00 0.00 C ATOM 647 CG GLU A 39 15.159 -1.328 -12.894 1.00 0.00 C ATOM 648 CD GLU A 39 14.262 -0.418 -13.708 1.00 0.00 C ATOM 649 OE1 GLU A 39 14.479 0.812 -13.677 1.00 0.00 O ATOM 650 OE2 GLU A 39 13.342 -0.934 -14.378 1.00 0.00 O ATOM 0 H GLU A 39 12.894 -0.407 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 39 14.130 -2.769 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.924 0.101 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.210 -1.059 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.171 -1.290 -13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.814 -2.357 -12.995 1.00 0.00 H new ATOM 657 N LYS A 40 15.626 -3.025 -8.973 1.00 0.00 N ATOM 658 CA LYS A 40 16.251 -3.285 -7.680 1.00 0.00 C ATOM 659 C LYS A 40 17.218 -2.177 -7.287 1.00 0.00 C ATOM 660 O LYS A 40 17.718 -2.136 -6.164 1.00 0.00 O ATOM 661 CB LYS A 40 16.962 -4.639 -7.681 1.00 0.00 C ATOM 662 CG LYS A 40 18.172 -4.692 -8.598 1.00 0.00 C ATOM 663 CD LYS A 40 19.456 -4.389 -7.845 1.00 0.00 C ATOM 664 CE LYS A 40 20.597 -5.279 -8.308 1.00 0.00 C ATOM 665 NZ LYS A 40 21.927 -4.700 -7.972 1.00 0.00 N ATOM 0 H LYS A 40 15.834 -3.717 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 40 15.455 -3.309 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.277 -4.875 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.254 -5.411 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.241 -5.680 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.047 -3.975 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.727 -3.343 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.294 -4.530 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.502 -6.261 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.527 -5.427 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 22.678 -5.338 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 22.029 -3.774 -8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.004 -4.583 -6.942 1.00 0.00 H new ATOM 679 N GLY A 41 17.462 -1.288 -8.222 1.00 0.00 N ATOM 680 CA GLY A 41 18.359 -0.173 -7.989 1.00 0.00 C ATOM 681 C GLY A 41 17.692 0.970 -7.247 1.00 0.00 C ATOM 682 O GLY A 41 18.163 1.387 -6.188 1.00 0.00 O ATOM 0 H GLY A 41 17.052 -1.313 -9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.220 -0.518 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.736 0.191 -8.945 1.00 0.00 H new ATOM 686 N VAL A 42 16.595 1.482 -7.802 1.00 0.00 N ATOM 687 CA VAL A 42 15.880 2.590 -7.180 1.00 0.00 C ATOM 688 C VAL A 42 14.379 2.525 -7.451 1.00 0.00 C ATOM 689 O VAL A 42 13.947 2.090 -8.519 1.00 0.00 O ATOM 690 CB VAL A 42 16.413 3.945 -7.682 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.814 5.088 -6.878 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.932 3.977 -7.619 1.00 0.00 C ATOM 0 H VAL A 42 16.186 1.149 -8.675 1.00 0.00 H new ATOM 0 HA VAL A 42 16.049 2.501 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 42 16.112 4.069 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.203 6.036 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.729 5.076 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.080 4.972 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.291 4.942 -7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.257 3.829 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.339 3.183 -8.245 1.00 0.00 H new ATOM 702 N PHE A 43 13.590 2.973 -6.476 1.00 0.00 N ATOM 703 CA PHE A 43 12.133 2.979 -6.608 1.00 0.00 C ATOM 704 C PHE A 43 11.705 3.862 -7.781 1.00 0.00 C ATOM 705 O PHE A 43 12.500 4.644 -8.302 1.00 0.00 O ATOM 706 CB PHE A 43 11.459 3.481 -5.320 1.00 0.00 C ATOM 707 CG PHE A 43 12.274 3.285 -4.071 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.833 2.053 -3.778 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.483 4.337 -3.194 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.585 1.872 -2.632 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.232 4.163 -2.047 1.00 0.00 C ATOM 712 CZ PHE A 43 13.785 2.929 -1.765 1.00 0.00 C ATOM 0 H PHE A 43 13.934 3.336 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 43 11.816 1.952 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.238 4.542 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.505 2.967 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.680 1.223 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.055 5.305 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.016 0.906 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.385 4.991 -1.371 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.372 2.791 -0.869 1.00 0.00 H new ATOM 722 N ASP A 44 10.443 3.739 -8.184 1.00 0.00 N ATOM 723 CA ASP A 44 9.909 4.531 -9.291 1.00 0.00 C ATOM 724 C ASP A 44 9.580 5.952 -8.837 1.00 0.00 C ATOM 725 O ASP A 44 8.530 6.197 -8.244 1.00 0.00 O ATOM 726 CB ASP A 44 8.653 3.873 -9.870 1.00 0.00 C ATOM 727 CG ASP A 44 7.682 3.425 -8.795 1.00 0.00 C ATOM 728 OD1 ASP A 44 7.820 3.884 -7.640 1.00 0.00 O ATOM 729 OD2 ASP A 44 6.785 2.616 -9.106 1.00 0.00 O ATOM 0 H ASP A 44 9.770 3.099 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 44 10.676 4.578 -10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.153 4.576 -10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.943 3.013 -10.474 1.00 0.00 H new ATOM 734 N ASP A 45 10.483 6.885 -9.125 1.00 0.00 N ATOM 735 CA ASP A 45 10.292 8.283 -8.749 1.00 0.00 C ATOM 736 C ASP A 45 8.973 8.834 -9.288 1.00 0.00 C ATOM 737 O ASP A 45 8.440 9.811 -8.761 1.00 0.00 O ATOM 738 CB ASP A 45 11.457 9.130 -9.262 1.00 0.00 C ATOM 739 CG ASP A 45 12.794 8.660 -8.724 1.00 0.00 C ATOM 740 OD1 ASP A 45 13.397 7.755 -9.338 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.236 9.195 -7.685 1.00 0.00 O ATOM 0 H ASP A 45 11.356 6.698 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 45 10.258 8.332 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.475 9.097 -10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.299 10.170 -8.977 1.00 0.00 H new ATOM 746 N GLU A 46 8.452 8.209 -10.340 1.00 0.00 N ATOM 747 CA GLU A 46 7.196 8.648 -10.939 1.00 0.00 C ATOM 748 C GLU A 46 6.059 8.575 -9.925 1.00 0.00 C ATOM 749 O GLU A 46 5.354 9.559 -9.693 1.00 0.00 O ATOM 750 CB GLU A 46 6.864 7.793 -12.164 1.00 0.00 C ATOM 751 CG GLU A 46 5.548 8.165 -12.830 1.00 0.00 C ATOM 752 CD GLU A 46 5.144 7.186 -13.913 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.024 6.769 -14.695 1.00 0.00 O ATOM 754 OE2 GLU A 46 3.947 6.836 -13.980 1.00 0.00 O ATOM 0 H GLU A 46 8.878 7.401 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 46 7.312 9.685 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.669 7.889 -12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.827 6.745 -11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.763 8.210 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.633 9.163 -13.261 1.00 0.00 H new ATOM 761 N LYS A 47 5.888 7.404 -9.321 1.00 0.00 N ATOM 762 CA LYS A 47 4.841 7.207 -8.328 1.00 0.00 C ATOM 763 C LYS A 47 5.154 7.984 -7.055 1.00 0.00 C ATOM 764 O LYS A 47 4.299 8.690 -6.522 1.00 0.00 O ATOM 765 CB LYS A 47 4.679 5.720 -8.010 1.00 0.00 C ATOM 766 CG LYS A 47 4.659 4.835 -9.246 1.00 0.00 C ATOM 767 CD LYS A 47 3.939 3.522 -8.982 1.00 0.00 C ATOM 768 CE LYS A 47 3.298 2.976 -10.247 1.00 0.00 C ATOM 769 NZ LYS A 47 4.203 3.092 -11.425 1.00 0.00 N ATOM 0 H LYS A 47 6.460 6.579 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 47 3.905 7.581 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.495 5.404 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.753 5.574 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.168 5.362 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.681 4.632 -9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.645 2.792 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.174 3.672 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.031 1.930 -10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.372 3.515 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.895 2.430 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.170 4.064 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.176 2.863 -11.139 1.00 0.00 H new ATOM 783 N ILE A 48 6.392 7.863 -6.581 1.00 0.00 N ATOM 784 CA ILE A 48 6.822 8.562 -5.375 1.00 0.00 C ATOM 785 C ILE A 48 6.463 10.046 -5.453 1.00 0.00 C ATOM 786 O ILE A 48 6.078 10.653 -4.454 1.00 0.00 O ATOM 787 CB ILE A 48 8.346 8.402 -5.149 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.649 7.033 -4.534 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.892 9.512 -4.258 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.956 5.962 -5.558 1.00 0.00 C ATOM 0 H ILE A 48 7.114 7.287 -7.014 1.00 0.00 H new ATOM 0 HA ILE A 48 6.298 8.114 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 48 8.840 8.474 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.497 7.129 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.795 6.717 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.964 9.372 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.711 10.478 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.392 9.480 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.161 5.020 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.101 5.838 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.828 6.256 -6.142 1.00 0.00 H new ATOM 802 N ALA A 49 6.583 10.619 -6.645 1.00 0.00 N ATOM 803 CA ALA A 49 6.263 12.026 -6.848 1.00 0.00 C ATOM 804 C ALA A 49 4.784 12.279 -6.591 1.00 0.00 C ATOM 805 O ALA A 49 4.416 13.059 -5.711 1.00 0.00 O ATOM 806 CB ALA A 49 6.639 12.457 -8.258 1.00 0.00 C ATOM 0 H ALA A 49 6.899 10.132 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 49 6.842 12.618 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.394 13.510 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.708 12.311 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.085 11.859 -8.981 1.00 0.00 H new ATOM 812 N GLU A 50 3.937 11.602 -7.359 1.00 0.00 N ATOM 813 CA GLU A 50 2.495 11.743 -7.208 1.00 0.00 C ATOM 814 C GLU A 50 2.071 11.344 -5.799 1.00 0.00 C ATOM 815 O GLU A 50 1.147 11.924 -5.228 1.00 0.00 O ATOM 816 CB GLU A 50 1.765 10.879 -8.244 1.00 0.00 C ATOM 817 CG GLU A 50 0.278 10.709 -7.966 1.00 0.00 C ATOM 818 CD GLU A 50 -0.585 11.025 -9.173 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.147 11.830 -10.022 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.700 10.469 -9.269 1.00 0.00 O ATOM 0 H GLU A 50 4.224 10.952 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 50 2.228 12.787 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.892 11.326 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.233 9.895 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.087 9.684 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.009 11.359 -7.139 1.00 0.00 H new ATOM 827 N LEU A 51 2.763 10.357 -5.240 1.00 0.00 N ATOM 828 CA LEU A 51 2.468 9.877 -3.902 1.00 0.00 C ATOM 829 C LEU A 51 2.617 11.003 -2.886 1.00 0.00 C ATOM 830 O LEU A 51 1.700 11.279 -2.113 1.00 0.00 O ATOM 831 CB LEU A 51 3.401 8.715 -3.555 1.00 0.00 C ATOM 832 CG LEU A 51 2.979 7.836 -2.370 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.954 7.997 -1.218 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.559 8.149 -1.912 1.00 0.00 C ATOM 0 H LEU A 51 3.535 9.874 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 51 1.437 9.526 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.498 8.079 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.390 9.121 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 51 2.995 6.799 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.641 7.367 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.952 7.701 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.971 9.039 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.298 7.506 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.498 9.193 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.865 7.973 -2.733 1.00 0.00 H new ATOM 846 N LEU A 52 3.773 11.668 -2.905 1.00 0.00 N ATOM 847 CA LEU A 52 4.029 12.773 -1.998 1.00 0.00 C ATOM 848 C LEU A 52 2.864 13.747 -1.995 1.00 0.00 C ATOM 849 O LEU A 52 2.396 14.180 -0.942 1.00 0.00 O ATOM 850 CB LEU A 52 5.299 13.462 -2.408 1.00 0.00 C ATOM 851 CG LEU A 52 6.533 12.649 -2.081 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.738 13.340 -2.625 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.652 12.439 -0.582 1.00 0.00 C ATOM 0 H LEU A 52 4.542 11.456 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 52 4.140 12.389 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.272 13.659 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.362 14.428 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 52 6.452 11.666 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.629 12.757 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.643 13.440 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.824 14.329 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.545 11.852 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.724 13.406 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.773 11.908 -0.218 1.00 0.00 H new ATOM 865 N THR A 53 2.384 14.064 -3.193 1.00 0.00 N ATOM 866 CA THR A 53 1.253 14.967 -3.348 1.00 0.00 C ATOM 867 C THR A 53 -0.010 14.321 -2.791 1.00 0.00 C ATOM 868 O THR A 53 -0.861 14.992 -2.206 1.00 0.00 O ATOM 869 CB THR A 53 1.054 15.322 -4.823 1.00 0.00 C ATOM 870 OG1 THR A 53 2.228 15.905 -5.360 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.088 16.287 -5.057 1.00 0.00 C ATOM 0 H THR A 53 2.762 13.708 -4.071 1.00 0.00 H new ATOM 0 HA THR A 53 1.458 15.883 -2.793 1.00 0.00 H new ATOM 0 HB THR A 53 0.819 14.380 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.082 16.124 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.174 16.497 -6.123 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.017 15.845 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.104 17.215 -4.519 1.00 0.00 H new ATOM 879 N LYS A 54 -0.117 13.006 -2.969 1.00 0.00 N ATOM 880 CA LYS A 54 -1.267 12.255 -2.479 1.00 0.00 C ATOM 881 C LYS A 54 -1.321 12.295 -0.955 1.00 0.00 C ATOM 882 O LYS A 54 -2.399 12.314 -0.361 1.00 0.00 O ATOM 883 CB LYS A 54 -1.203 10.803 -2.966 1.00 0.00 C ATOM 884 CG LYS A 54 -1.928 10.571 -4.281 1.00 0.00 C ATOM 885 CD LYS A 54 -2.578 9.199 -4.324 1.00 0.00 C ATOM 886 CE LYS A 54 -2.941 8.798 -5.745 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.844 9.790 -6.389 1.00 0.00 N ATOM 0 H LYS A 54 0.581 12.439 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.172 12.717 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.159 10.512 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.633 10.153 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.689 11.340 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.224 10.667 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.899 8.460 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.475 9.201 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.031 8.697 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.424 7.821 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.176 9.417 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.661 9.969 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.327 10.679 -6.546 1.00 0.00 H new ATOM 901 N LEU A 55 -0.147 12.313 -0.331 1.00 0.00 N ATOM 902 CA LEU A 55 -0.053 12.359 1.124 1.00 0.00 C ATOM 903 C LEU A 55 -0.491 13.722 1.647 1.00 0.00 C ATOM 904 O LEU A 55 -1.317 13.818 2.554 1.00 0.00 O ATOM 905 CB LEU A 55 1.381 12.069 1.572 1.00 0.00 C ATOM 906 CG LEU A 55 1.914 10.668 1.236 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.731 10.124 2.392 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.778 9.711 0.902 1.00 0.00 C ATOM 0 H LEU A 55 0.753 12.296 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.716 11.597 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.041 12.807 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.441 12.211 2.651 1.00 0.00 H new ATOM 0 HG LEU A 55 2.553 10.755 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.102 9.131 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.574 10.788 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.105 10.062 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.187 8.728 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.106 9.631 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.226 10.088 0.041 1.00 0.00 H new ATOM 920 N GLY A 56 0.072 14.774 1.061 1.00 0.00 N ATOM 921 CA GLY A 56 -0.258 16.126 1.472 1.00 0.00 C ATOM 922 C GLY A 56 0.766 17.132 0.985 1.00 0.00 C ATOM 923 O GLY A 56 1.563 16.833 0.096 1.00 0.00 O ATOM 0 H GLY A 56 0.754 14.713 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.241 16.393 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.321 16.170 2.559 1.00 0.00 H new ATOM 927 N ARG A 57 0.757 18.323 1.575 1.00 0.00 N ATOM 928 CA ARG A 57 1.704 19.367 1.192 1.00 0.00 C ATOM 929 C ARG A 57 2.936 19.340 2.089 1.00 0.00 C ATOM 930 O ARG A 57 3.554 20.373 2.347 1.00 0.00 O ATOM 931 CB ARG A 57 1.038 20.743 1.261 1.00 0.00 C ATOM 932 CG ARG A 57 -0.297 20.811 0.538 1.00 0.00 C ATOM 933 CD ARG A 57 -0.786 22.244 0.405 1.00 0.00 C ATOM 934 NE ARG A 57 -2.227 22.355 0.619 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.847 23.492 0.924 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.157 24.619 1.053 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.162 23.504 1.101 1.00 0.00 N ATOM 0 H ARG A 57 0.109 18.589 2.316 1.00 0.00 H new ATOM 0 HA ARG A 57 2.019 19.176 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.889 21.013 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.712 21.485 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.199 20.366 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.036 20.222 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.263 22.873 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.537 22.621 -0.587 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.792 21.510 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.146 24.616 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.638 25.488 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.698 22.641 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.637 24.376 1.335 1.00 0.00 H new ATOM 951 N ASP A 58 3.289 18.149 2.554 1.00 0.00 N ATOM 952 CA ASP A 58 4.443 17.970 3.414 1.00 0.00 C ATOM 953 C ASP A 58 5.436 17.001 2.773 1.00 0.00 C ATOM 954 O ASP A 58 5.482 16.863 1.551 1.00 0.00 O ATOM 955 CB ASP A 58 3.995 17.454 4.786 1.00 0.00 C ATOM 956 CG ASP A 58 4.777 18.079 5.924 1.00 0.00 C ATOM 957 OD1 ASP A 58 6.024 18.095 5.848 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.144 18.553 6.891 1.00 0.00 O ATOM 0 H ASP A 58 2.785 17.287 2.345 1.00 0.00 H new ATOM 0 HA ASP A 58 4.940 18.931 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.934 17.663 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.113 16.371 4.820 1.00 0.00 H new ATOM 963 N THR A 59 6.222 16.331 3.606 1.00 0.00 N ATOM 964 CA THR A 59 7.209 15.370 3.130 1.00 0.00 C ATOM 965 C THR A 59 6.943 13.988 3.716 1.00 0.00 C ATOM 966 O THR A 59 6.122 13.836 4.621 1.00 0.00 O ATOM 967 CB THR A 59 8.620 15.831 3.496 1.00 0.00 C ATOM 968 OG1 THR A 59 9.590 14.942 2.971 1.00 0.00 O ATOM 969 CG2 THR A 59 8.848 15.929 4.989 1.00 0.00 C ATOM 0 H THR A 59 6.195 16.436 4.620 1.00 0.00 H new ATOM 0 HA THR A 59 7.128 15.308 2.045 1.00 0.00 H new ATOM 0 HB THR A 59 8.721 16.826 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.486 15.255 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.868 16.261 5.180 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.147 16.645 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.693 14.951 5.446 1.00 0.00 H new ATOM 977 N GLN A 60 7.650 12.984 3.208 1.00 0.00 N ATOM 978 CA GLN A 60 7.491 11.622 3.694 1.00 0.00 C ATOM 979 C GLN A 60 8.238 11.447 5.007 1.00 0.00 C ATOM 980 O GLN A 60 9.450 11.238 5.031 1.00 0.00 O ATOM 981 CB GLN A 60 8.007 10.618 2.664 1.00 0.00 C ATOM 982 CG GLN A 60 9.380 10.961 2.110 1.00 0.00 C ATOM 983 CD GLN A 60 10.205 9.728 1.794 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.145 9.393 2.514 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.856 9.045 0.710 1.00 0.00 N ATOM 0 H GLN A 60 8.337 13.089 2.461 1.00 0.00 H new ATOM 0 HA GLN A 60 6.429 11.436 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.046 9.629 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.297 10.560 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.264 11.558 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.916 11.577 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.070 9.358 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.374 8.207 0.446 1.00 0.00 H new ATOM 994 N ILE A 61 7.495 11.539 6.094 1.00 0.00 N ATOM 995 CA ILE A 61 8.060 11.405 7.432 1.00 0.00 C ATOM 996 C ILE A 61 8.427 9.960 7.741 1.00 0.00 C ATOM 997 O ILE A 61 7.667 9.239 8.389 1.00 0.00 O ATOM 998 CB ILE A 61 7.082 11.916 8.508 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.537 13.293 8.122 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.768 11.972 9.864 1.00 0.00 C ATOM 1001 CD1 ILE A 61 7.618 14.327 7.888 1.00 0.00 C ATOM 0 H ILE A 61 6.489 11.708 6.080 1.00 0.00 H new ATOM 0 HA ILE A 61 8.964 12.014 7.451 1.00 0.00 H new ATOM 0 HB ILE A 61 6.245 11.222 8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.936 13.197 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.872 13.646 8.911 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.064 12.335 10.613 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.110 10.975 10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.622 12.647 9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.159 15.278 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.205 14.452 8.798 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.269 13.996 7.079 1.00 0.00 H new ATOM 1013 N GLY A 62 9.600 9.542 7.275 1.00 0.00 N ATOM 1014 CA GLY A 62 10.056 8.184 7.514 1.00 0.00 C ATOM 1015 C GLY A 62 9.013 7.145 7.156 1.00 0.00 C ATOM 1016 O GLY A 62 9.008 6.045 7.708 1.00 0.00 O ATOM 0 H GLY A 62 10.244 10.120 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.960 8.001 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.325 8.075 8.565 1.00 0.00 H new ATOM 1020 N LEU A 63 8.123 7.498 6.234 1.00 0.00 N ATOM 1021 CA LEU A 63 7.069 6.585 5.805 1.00 0.00 C ATOM 1022 C LEU A 63 7.652 5.261 5.316 1.00 0.00 C ATOM 1023 O LEU A 63 8.816 5.192 4.918 1.00 0.00 O ATOM 1024 CB LEU A 63 6.201 7.239 4.726 1.00 0.00 C ATOM 1025 CG LEU A 63 6.603 6.972 3.278 1.00 0.00 C ATOM 1026 CD1 LEU A 63 8.108 7.103 3.092 1.00 0.00 C ATOM 1027 CD2 LEU A 63 6.121 5.599 2.830 1.00 0.00 C ATOM 0 H LEU A 63 8.110 8.407 5.771 1.00 0.00 H new ATOM 0 HA LEU A 63 6.436 6.366 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.174 6.902 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.207 8.317 4.889 1.00 0.00 H new ATOM 0 HG LEU A 63 6.123 7.725 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.364 6.907 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.421 8.112 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.618 6.383 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.418 5.429 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.565 4.832 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.035 5.551 2.908 1.00 0.00 H new ATOM 1039 N THR A 64 6.838 4.214 5.351 1.00 0.00 N ATOM 1040 CA THR A 64 7.277 2.895 4.915 1.00 0.00 C ATOM 1041 C THR A 64 6.184 2.185 4.125 1.00 0.00 C ATOM 1042 O THR A 64 5.016 2.569 4.174 1.00 0.00 O ATOM 1043 CB THR A 64 7.681 2.047 6.122 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.645 2.019 7.088 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.935 2.542 6.808 1.00 0.00 C ATOM 0 H THR A 64 5.872 4.252 5.676 1.00 0.00 H new ATOM 0 HA THR A 64 8.140 3.027 4.263 1.00 0.00 H new ATOM 0 HB THR A 64 7.873 1.051 5.722 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.923 1.470 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.165 1.896 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.766 2.526 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.778 3.561 7.161 1.00 0.00 H new ATOM 1053 N MET A 65 6.573 1.143 3.400 1.00 0.00 N ATOM 1054 CA MET A 65 5.635 0.369 2.600 1.00 0.00 C ATOM 1055 C MET A 65 5.217 -0.900 3.331 1.00 0.00 C ATOM 1056 O MET A 65 5.912 -1.362 4.236 1.00 0.00 O ATOM 1057 CB MET A 65 6.259 0.014 1.252 1.00 0.00 C ATOM 1058 CG MET A 65 6.198 1.143 0.236 1.00 0.00 C ATOM 1059 SD MET A 65 7.518 2.351 0.461 1.00 0.00 S ATOM 1060 CE MET A 65 6.753 3.818 -0.224 1.00 0.00 C ATOM 0 H MET A 65 7.537 0.814 3.351 1.00 0.00 H new ATOM 0 HA MET A 65 4.747 0.978 2.432 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.300 -0.268 1.406 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.749 -0.859 0.844 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.260 0.726 -0.769 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.234 1.645 0.314 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.404 4.677 -0.062 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.594 3.680 -1.294 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.795 3.991 0.266 1.00 0.00 H new ATOM 1070 N PRO A 66 4.065 -1.482 2.954 1.00 0.00 N ATOM 1071 CA PRO A 66 3.200 -0.977 1.886 1.00 0.00 C ATOM 1072 C PRO A 66 2.247 0.119 2.365 1.00 0.00 C ATOM 1073 O PRO A 66 1.691 0.033 3.461 1.00 0.00 O ATOM 1074 CB PRO A 66 2.401 -2.220 1.458 1.00 0.00 C ATOM 1075 CG PRO A 66 2.886 -3.339 2.327 1.00 0.00 C ATOM 1076 CD PRO A 66 3.507 -2.699 3.531 1.00 0.00 C ATOM 0 HA PRO A 66 3.779 -0.519 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.331 -2.060 1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.564 -2.445 0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.062 -3.992 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.612 -3.956 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.773 -2.486 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.274 -3.329 3.982 1.00 0.00 H new ATOM 1084 N GLN A 67 2.043 1.134 1.528 1.00 0.00 N ATOM 1085 CA GLN A 67 1.139 2.231 1.860 1.00 0.00 C ATOM 1086 C GLN A 67 -0.155 2.100 1.066 1.00 0.00 C ATOM 1087 O GLN A 67 -0.154 2.197 -0.161 1.00 0.00 O ATOM 1088 CB GLN A 67 1.800 3.581 1.573 1.00 0.00 C ATOM 1089 CG GLN A 67 2.781 4.021 2.647 1.00 0.00 C ATOM 1090 CD GLN A 67 2.099 4.372 3.956 1.00 0.00 C ATOM 1091 OE1 GLN A 67 0.990 3.916 4.232 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.761 5.186 4.769 1.00 0.00 N ATOM 0 H GLN A 67 2.491 1.219 0.616 1.00 0.00 H new ATOM 0 HA GLN A 67 0.909 2.180 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.322 3.524 0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.025 4.340 1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.504 3.224 2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.340 4.886 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.679 5.540 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.352 5.457 5.663 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.257 1.856 1.764 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.546 1.691 1.106 1.00 0.00 C ATOM 1103 C VAL A 68 -3.256 3.024 0.893 1.00 0.00 C ATOM 1104 O VAL A 68 -2.914 4.035 1.506 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.471 0.744 1.899 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.578 0.205 1.008 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.673 -0.400 2.512 1.00 0.00 C ATOM 0 H VAL A 68 -1.284 1.768 2.780 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.334 1.250 0.132 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.929 1.314 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.219 -0.461 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.171 1.034 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.140 -0.346 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.344 -1.056 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.184 -0.967 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.919 0.003 3.188 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.257 3.008 0.014 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.031 4.201 -0.303 1.00 0.00 C ATOM 1119 C PHE A 69 -6.498 3.838 -0.519 1.00 0.00 C ATOM 1120 O PHE A 69 -6.814 2.879 -1.221 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.473 4.870 -1.558 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.347 5.820 -1.281 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.608 7.144 -0.972 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.030 5.390 -1.329 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.575 8.025 -0.716 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.992 6.268 -1.075 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.266 7.586 -0.768 1.00 0.00 C ATOM 0 H PHE A 69 -4.550 2.173 -0.493 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.959 4.896 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.126 4.100 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.277 5.409 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.630 7.492 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.812 4.359 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.790 9.056 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.031 5.923 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.457 8.274 -0.569 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.386 4.601 0.107 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.820 4.351 0.008 1.00 0.00 C ATOM 1139 C ALA A 70 -9.375 4.701 -1.373 1.00 0.00 C ATOM 1140 O ALA A 70 -8.918 5.645 -2.019 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.562 5.128 1.084 1.00 0.00 C ATOM 0 H ALA A 70 -7.138 5.400 0.690 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.975 3.282 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.631 4.934 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.212 4.813 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.376 6.194 0.957 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.387 3.939 -1.831 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.037 4.155 -3.130 1.00 0.00 C ATOM 1149 C PRO A 71 -11.289 5.629 -3.433 1.00 0.00 C ATOM 1150 O PRO A 71 -10.913 6.129 -4.494 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.360 3.414 -2.954 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.020 2.272 -2.066 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.988 2.802 -1.105 1.00 0.00 C ATOM 0 HA PRO A 71 -10.425 3.808 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.119 4.055 -2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.755 3.072 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.901 1.911 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.627 1.432 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.441 3.120 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.243 2.045 -0.859 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.933 6.316 -2.497 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.242 7.731 -2.664 1.00 0.00 C ATOM 1163 C ASP A 72 -10.972 8.554 -2.858 1.00 0.00 C ATOM 1164 O ASP A 72 -10.995 9.608 -3.493 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.023 8.248 -1.456 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.413 8.731 -1.827 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.531 9.510 -2.795 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.381 8.331 -1.147 1.00 0.00 O ATOM 0 H ASP A 72 -12.251 5.916 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.856 7.838 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.104 7.455 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.470 9.065 -0.992 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.866 8.068 -2.305 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.606 8.777 -2.431 1.00 0.00 C ATOM 1175 C GLY A 73 -8.120 9.329 -1.106 1.00 0.00 C ATOM 1176 O GLY A 73 -8.179 10.536 -0.873 1.00 0.00 O ATOM 0 H GLY A 73 -9.819 7.199 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.852 8.104 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.722 9.595 -3.142 1.00 0.00 H new ATOM 1180 N SER A 74 -7.641 8.447 -0.235 1.00 0.00 N ATOM 1181 CA SER A 74 -7.143 8.859 1.073 1.00 0.00 C ATOM 1182 C SER A 74 -6.151 7.841 1.627 1.00 0.00 C ATOM 1183 O SER A 74 -6.312 6.635 1.439 1.00 0.00 O ATOM 1184 CB SER A 74 -8.306 9.039 2.051 1.00 0.00 C ATOM 1185 OG SER A 74 -9.521 9.271 1.360 1.00 0.00 O ATOM 0 H SER A 74 -7.587 7.444 -0.411 1.00 0.00 H new ATOM 0 HA SER A 74 -6.627 9.811 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.402 8.150 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.098 9.875 2.719 1.00 0.00 H new ATOM 0 HG SER A 74 -10.249 9.381 2.007 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.125 8.339 2.308 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.104 7.479 2.893 1.00 0.00 C ATOM 1193 C HIS A 75 -4.669 6.694 4.072 1.00 0.00 C ATOM 1194 O HIS A 75 -4.975 7.265 5.119 1.00 0.00 O ATOM 1195 CB HIS A 75 -2.911 8.320 3.349 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.616 7.568 3.369 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -0.538 7.918 4.150 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.236 6.465 2.677 1.00 0.00 C ATOM 1199 CE1 HIS A 75 0.444 7.036 3.914 1.00 0.00 C ATOM 1200 NE2 HIS A 75 0.070 6.132 3.027 1.00 0.00 N ATOM 0 H HIS A 75 -4.978 9.336 2.469 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.774 6.770 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.811 9.181 2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.111 8.707 4.348 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.494 8.708 4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.849 5.930 1.967 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.414 7.062 4.388 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.808 5.384 3.896 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.341 4.528 4.949 1.00 0.00 C ATOM 1210 C ILE A 76 -4.251 4.130 5.939 1.00 0.00 C ATOM 1211 O ILE A 76 -4.431 4.237 7.152 1.00 0.00 O ATOM 1212 CB ILE A 76 -5.980 3.249 4.371 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.010 3.604 3.298 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.623 2.427 5.479 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.251 2.489 2.304 1.00 0.00 C ATOM 0 H ILE A 76 -4.560 4.893 3.037 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.107 5.107 5.465 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.196 2.649 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.953 3.860 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.674 4.492 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.069 1.528 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.865 2.145 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.396 3.019 5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.992 2.808 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.318 2.248 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.617 1.606 2.829 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.126 3.660 5.412 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.028 3.247 6.265 1.00 0.00 C ATOM 1229 C GLY A 77 -1.460 1.903 5.859 1.00 0.00 C ATOM 1230 O GLY A 77 -1.541 1.511 4.695 1.00 0.00 O ATOM 0 H GLY A 77 -2.955 3.558 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.239 3.999 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.372 3.197 7.298 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.878 1.203 6.821 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.298 -0.099 6.547 1.00 0.00 C ATOM 1236 C GLY A 78 -1.309 -1.221 6.686 1.00 0.00 C ATOM 1237 O GLY A 78 -2.479 -1.058 6.338 1.00 0.00 O ATOM 0 H GLY A 78 -0.796 1.513 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.113 -0.106 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.533 -0.275 7.230 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.859 -2.364 7.196 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.737 -3.513 7.378 1.00 0.00 C ATOM 1243 C PHE A 79 -2.692 -3.284 8.545 1.00 0.00 C ATOM 1244 O PHE A 79 -3.901 -3.156 8.354 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.914 -4.782 7.616 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.754 -6.013 7.817 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.737 -6.354 6.901 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.561 -6.826 8.923 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.512 -7.484 7.084 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.334 -7.958 9.111 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.310 -8.286 8.191 1.00 0.00 C ATOM 0 H PHE A 79 0.106 -2.518 7.489 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.324 -3.638 6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.250 -4.940 6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.282 -4.636 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.899 -5.730 6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.799 -6.573 9.646 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.274 -7.740 6.363 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.174 -8.584 9.976 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.915 -9.169 8.336 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.141 -3.229 9.755 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.944 -3.013 10.955 1.00 0.00 C ATOM 1263 C ASP A 80 -3.816 -1.770 10.809 1.00 0.00 C ATOM 1264 O ASP A 80 -4.967 -1.751 11.246 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.040 -2.873 12.181 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.830 -2.733 13.468 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.597 -1.755 13.589 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.680 -3.600 14.354 1.00 0.00 O ATOM 0 H ASP A 80 -1.141 -3.331 9.930 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.594 -3.878 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.389 -3.744 12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.396 -2.003 12.057 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.260 -0.733 10.191 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.989 0.511 9.984 1.00 0.00 C ATOM 1275 C GLN A 81 -5.236 0.265 9.143 1.00 0.00 C ATOM 1276 O GLN A 81 -6.295 0.837 9.401 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.095 1.549 9.303 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.016 2.113 10.212 1.00 0.00 C ATOM 1279 CD GLN A 81 -2.410 3.442 10.828 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -2.349 3.618 12.045 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -2.815 4.387 9.987 1.00 0.00 N ATOM 0 H GLN A 81 -2.308 -0.730 9.825 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.293 0.895 10.958 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.623 1.094 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.716 2.368 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.804 1.397 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.095 2.239 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.850 4.197 8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.091 5.302 10.343 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.103 -0.597 8.139 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.219 -0.925 7.266 1.00 0.00 C ATOM 1292 C LEU A 82 -7.275 -1.740 7.999 1.00 0.00 C ATOM 1293 O LEU A 82 -8.466 -1.452 7.896 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.742 -1.665 6.035 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.761 -1.655 4.905 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.273 -0.829 3.731 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.074 -3.066 4.487 1.00 0.00 C ATOM 0 H LEU A 82 -4.233 -1.079 7.912 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.676 0.013 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.813 -1.215 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.515 -2.697 6.303 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.677 -1.188 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.023 -0.842 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.104 0.198 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.341 -1.249 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.804 -3.052 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.162 -3.555 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.483 -3.615 5.335 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.842 -2.743 8.758 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.777 -3.566 9.520 1.00 0.00 C ATOM 1311 C ARG A 83 -8.694 -2.667 10.340 1.00 0.00 C ATOM 1312 O ARG A 83 -9.861 -2.987 10.566 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.022 -4.533 10.434 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.943 -5.949 9.888 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.684 -6.961 10.993 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.585 -6.553 11.866 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.062 -7.330 12.812 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.534 -8.556 13.009 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -4.065 -6.882 13.562 1.00 0.00 N ATOM 0 H ARG A 83 -5.861 -3.004 8.862 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.378 -4.155 8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.011 -4.156 10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.510 -4.555 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.875 -6.196 9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.148 -6.009 9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.589 -7.089 11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.454 -7.930 10.550 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.196 -5.618 11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.301 -8.906 12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.130 -9.148 13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.698 -5.942 13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.665 -7.478 14.287 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.158 -1.522 10.754 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.930 -0.553 11.515 1.00 0.00 C ATOM 1335 C GLU A 84 -9.914 0.142 10.586 1.00 0.00 C ATOM 1336 O GLU A 84 -11.046 0.441 10.965 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.009 0.474 12.176 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.721 1.385 13.163 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.759 2.220 13.985 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.125 1.661 14.905 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.641 3.432 13.709 1.00 0.00 O ATOM 0 H GLU A 84 -7.193 -1.246 10.574 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.476 -1.072 12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.206 -0.051 12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.544 1.084 11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.397 2.046 12.620 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.335 0.781 13.831 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.477 0.365 9.347 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.319 0.987 8.340 1.00 0.00 C ATOM 1350 C TYR A 85 -11.511 0.082 8.052 1.00 0.00 C ATOM 1351 O TYR A 85 -12.615 0.551 7.781 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.507 1.222 7.064 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.205 2.078 6.032 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.288 1.591 5.312 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.771 3.372 5.772 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -11.920 2.369 4.361 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.398 4.156 4.824 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.472 3.651 4.122 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.099 4.429 3.176 1.00 0.00 O ATOM 0 H TYR A 85 -8.542 0.122 9.021 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.682 1.948 8.704 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.561 1.694 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.267 0.257 6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.642 0.588 5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.930 3.771 6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.760 1.975 3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.049 5.160 4.633 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.662 5.305 3.131 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.267 -1.225 8.134 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.299 -2.229 7.895 1.00 0.00 C ATOM 1371 C PHE A 86 -13.063 -2.548 9.176 1.00 0.00 C ATOM 1372 O PHE A 86 -14.233 -2.192 9.317 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.656 -3.504 7.334 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.383 -3.439 5.857 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.314 -2.890 4.987 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.190 -3.911 5.340 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.055 -2.812 3.634 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.930 -3.841 3.985 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.863 -3.290 3.132 1.00 0.00 C ATOM 0 H PHE A 86 -10.354 -1.615 8.367 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.009 -1.829 7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.720 -3.691 7.860 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.311 -4.351 7.537 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.252 -2.520 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.453 -4.339 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.786 -2.377 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.996 -4.218 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.660 -3.233 2.073 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.396 -3.221 10.108 1.00 0.00 N ATOM 1390 CA LYS A 87 -13.013 -3.589 11.377 1.00 0.00 C ATOM 1391 C LYS A 87 -13.009 -2.411 12.347 1.00 0.00 C ATOM 1392 O LYS A 87 -12.235 -1.458 12.116 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.280 -4.778 11.999 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.275 -6.017 11.118 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.403 -6.967 11.484 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.117 -7.696 12.788 1.00 0.00 C ATOM 1397 NZ LYS A 87 -13.731 -9.052 12.813 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.780 -2.451 13.329 1.00 0.00 O ATOM 0 H LYS A 87 -11.427 -3.523 10.008 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.047 -3.871 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.251 -4.489 12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.746 -5.023 12.954 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.372 -5.722 10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.319 -6.531 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.335 -6.409 11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.543 -7.693 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.039 -7.783 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.499 -7.109 13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.513 -9.515 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.762 -8.968 12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.348 -9.621 12.032 1.00 0.00 H new TER 1412 LYS A 87