USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 18 THR OG1 : rot 180:sc= -0.251 USER MOD Set 1.2: A 21 MET CE :methyl -174:sc= -2.06! (180deg=-2.36!) USER MOD Single : A 4 SER OG : rot 140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.5!) USER MOD Single : A 9 GLN : amide:sc= -2.58 X(o=-2.6,f=-2.6) USER MOD Single : A 14 ASN : amide:sc= -0.979 X(o=-0.98,f=-0.99) USER MOD Single : A 15 THR OG1 : rot -120:sc= -0.466 USER MOD Single : A 22 MET CE :methyl 168:sc= -1.82 (180deg=-2.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -147:sc= -1.86 (180deg=-2.83!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 107:sc= 0.236 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -167:sc= -0.142 (180deg=-0.679) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0171) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -9.688 -8.949 -3.674 1.00 0.00 N ATOM 33 CA ALA A 3 -8.949 -8.246 -2.630 1.00 0.00 C ATOM 34 C ALA A 3 -7.869 -7.362 -3.243 1.00 0.00 C ATOM 35 O ALA A 3 -7.031 -7.826 -4.017 1.00 0.00 O ATOM 36 CB ALA A 3 -8.292 -9.243 -1.673 1.00 0.00 C ATOM 0 HA ALA A 3 -9.656 -7.626 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.746 -8.701 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.060 -9.861 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.602 -9.879 -2.227 1.00 0.00 H new ATOM 42 N SER A 4 -7.898 -6.080 -2.890 1.00 0.00 N ATOM 43 CA SER A 4 -6.916 -5.133 -3.411 1.00 0.00 C ATOM 44 C SER A 4 -5.929 -4.734 -2.318 1.00 0.00 C ATOM 45 O SER A 4 -6.065 -5.135 -1.162 1.00 0.00 O ATOM 46 CB SER A 4 -7.611 -3.878 -3.937 1.00 0.00 C ATOM 47 OG SER A 4 -8.507 -4.239 -4.980 1.00 0.00 O ATOM 0 H SER A 4 -8.583 -5.676 -2.252 1.00 0.00 H new ATOM 0 HA SER A 4 -6.379 -5.619 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.153 -3.384 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.872 -3.167 -4.307 1.00 0.00 H new ATOM 0 HG SER A 4 -9.333 -3.718 -4.897 1.00 0.00 H new ATOM 53 N VAL A 5 -4.935 -3.938 -2.698 1.00 0.00 N ATOM 54 CA VAL A 5 -3.926 -3.486 -1.743 1.00 0.00 C ATOM 55 C VAL A 5 -4.425 -2.256 -0.991 1.00 0.00 C ATOM 56 O VAL A 5 -5.112 -1.403 -1.552 1.00 0.00 O ATOM 57 CB VAL A 5 -2.620 -3.137 -2.462 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.526 -2.856 -1.429 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.193 -4.311 -3.346 1.00 0.00 C ATOM 0 H VAL A 5 -4.806 -3.595 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.742 -4.297 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.773 -2.252 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.597 -2.608 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.827 -2.020 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.374 -3.740 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.263 -4.062 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.041 -5.196 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.970 -4.513 -4.083 1.00 0.00 H new ATOM 69 N VAL A 6 -4.071 -2.176 0.289 1.00 0.00 N ATOM 70 CA VAL A 6 -4.486 -1.049 1.115 1.00 0.00 C ATOM 71 C VAL A 6 -3.361 -0.645 2.064 1.00 0.00 C ATOM 72 O VAL A 6 -2.577 -1.480 2.514 1.00 0.00 O ATOM 73 CB VAL A 6 -5.731 -1.416 1.932 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.211 -0.200 2.729 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.843 -1.867 0.983 1.00 0.00 C ATOM 0 H VAL A 6 -3.503 -2.872 0.772 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.721 -0.212 0.457 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.482 -2.222 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.095 -0.469 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.421 0.126 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.458 0.610 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.730 -2.129 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.084 -1.057 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.508 -2.737 0.418 1.00 0.00 H new ATOM 85 N ALA A 7 -3.298 0.648 2.363 1.00 0.00 N ATOM 86 CA ALA A 7 -2.270 1.161 3.264 1.00 0.00 C ATOM 87 C ALA A 7 -2.564 0.731 4.697 1.00 0.00 C ATOM 88 O ALA A 7 -3.474 1.249 5.343 1.00 0.00 O ATOM 89 CB ALA A 7 -2.218 2.689 3.204 1.00 0.00 C ATOM 0 H ALA A 7 -3.938 1.354 2.000 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.309 0.754 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.446 3.054 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.987 3.006 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.184 3.098 3.500 1.00 0.00 H new ATOM 95 N ASN A 8 -1.782 -0.229 5.185 1.00 0.00 N ATOM 96 CA ASN A 8 -1.964 -0.732 6.545 1.00 0.00 C ATOM 97 C ASN A 8 -1.797 0.392 7.566 1.00 0.00 C ATOM 98 O ASN A 8 -2.387 0.360 8.646 1.00 0.00 O ATOM 99 CB ASN A 8 -0.947 -1.834 6.845 1.00 0.00 C ATOM 100 CG ASN A 8 -1.395 -2.622 8.071 1.00 0.00 C ATOM 101 OD1 ASN A 8 -1.879 -2.046 9.044 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.260 -3.921 8.081 1.00 0.00 N ATOM 0 H ASN A 8 -1.023 -0.671 4.666 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.974 -1.136 6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.853 -2.499 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.036 -1.398 7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.556 -4.458 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.859 -4.398 7.274 1.00 0.00 H new ATOM 109 N GLN A 9 -0.989 1.388 7.214 1.00 0.00 N ATOM 110 CA GLN A 9 -0.756 2.519 8.109 1.00 0.00 C ATOM 111 C GLN A 9 -0.471 3.783 7.304 1.00 0.00 C ATOM 112 O GLN A 9 -0.498 3.773 6.074 1.00 0.00 O ATOM 113 CB GLN A 9 0.429 2.236 9.035 1.00 0.00 C ATOM 114 CG GLN A 9 1.658 1.873 8.200 1.00 0.00 C ATOM 115 CD GLN A 9 2.922 2.145 9.009 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.565 1.217 9.497 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.317 3.377 9.183 1.00 0.00 N ATOM 0 H GLN A 9 -0.489 1.436 6.326 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.654 2.665 8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.640 3.111 9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.185 1.420 9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.617 0.823 7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.670 2.456 7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.783 4.146 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.160 3.571 9.724 1.00 0.00 H new ATOM 126 N LEU A 10 -0.201 4.873 8.016 1.00 0.00 N ATOM 127 CA LEU A 10 0.085 6.147 7.362 1.00 0.00 C ATOM 128 C LEU A 10 1.446 6.105 6.676 1.00 0.00 C ATOM 129 O LEU A 10 2.488 6.200 7.325 1.00 0.00 O ATOM 130 CB LEU A 10 0.075 7.287 8.383 1.00 0.00 C ATOM 131 CG LEU A 10 0.160 8.629 7.653 1.00 0.00 C ATOM 132 CD1 LEU A 10 -1.122 8.853 6.847 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.319 9.755 8.677 1.00 0.00 C ATOM 0 H LEU A 10 -0.174 4.901 9.035 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.690 6.321 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.834 7.244 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.915 7.181 9.070 1.00 0.00 H new ATOM 0 HG LEU A 10 1.017 8.624 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.062 9.809 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.239 8.050 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.979 8.860 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.380 10.712 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.539 9.760 9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.230 9.596 9.254 1.00 0.00 H new ATOM 145 N ILE A 11 1.425 5.966 5.353 1.00 0.00 N ATOM 146 CA ILE A 11 2.662 5.917 4.581 1.00 0.00 C ATOM 147 C ILE A 11 3.078 7.338 4.168 1.00 0.00 C ATOM 148 O ILE A 11 2.249 8.104 3.679 1.00 0.00 O ATOM 149 CB ILE A 11 2.468 5.069 3.321 1.00 0.00 C ATOM 150 CG1 ILE A 11 1.918 3.692 3.705 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.809 4.895 2.604 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.003 3.178 2.592 1.00 0.00 C ATOM 0 H ILE A 11 0.573 5.886 4.798 1.00 0.00 H new ATOM 0 HA ILE A 11 3.439 5.471 5.202 1.00 0.00 H new ATOM 0 HB ILE A 11 1.763 5.571 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.739 2.993 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.366 3.758 4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.667 4.291 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.201 5.873 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.515 4.397 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.612 2.198 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.175 3.873 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.569 3.096 1.664 1.00 0.00 H new ATOM 164 N PRO A 12 4.355 7.719 4.357 1.00 0.00 N ATOM 165 CA PRO A 12 4.823 9.067 3.987 1.00 0.00 C ATOM 166 C PRO A 12 5.178 9.183 2.506 1.00 0.00 C ATOM 167 O PRO A 12 5.550 8.201 1.862 1.00 0.00 O ATOM 168 CB PRO A 12 6.064 9.230 4.854 1.00 0.00 C ATOM 169 CG PRO A 12 6.565 7.829 5.188 1.00 0.00 C ATOM 170 CD PRO A 12 5.409 6.854 4.939 1.00 0.00 C ATOM 0 HA PRO A 12 4.061 9.831 4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.831 9.798 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.828 9.782 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.424 7.571 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.894 7.777 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.697 6.055 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.076 6.380 5.862 1.00 0.00 H new ATOM 178 N ILE A 13 5.059 10.397 1.976 1.00 0.00 N ATOM 179 CA ILE A 13 5.370 10.638 0.570 1.00 0.00 C ATOM 180 C ILE A 13 6.880 10.538 0.333 1.00 0.00 C ATOM 181 O ILE A 13 7.682 10.828 1.220 1.00 0.00 O ATOM 182 CB ILE A 13 4.859 12.024 0.142 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.105 12.214 -1.361 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.585 13.121 0.934 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.536 13.562 -1.816 1.00 0.00 C ATOM 0 H ILE A 13 4.753 11.222 2.492 1.00 0.00 H new ATOM 0 HA ILE A 13 4.871 9.878 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 13 3.791 12.094 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.174 12.171 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.637 11.404 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.216 14.099 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.399 12.984 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.656 13.060 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.714 13.690 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.464 13.589 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.025 14.367 -1.267 1.00 0.00 H new ATOM 197 N ASN A 14 7.251 10.126 -0.877 1.00 0.00 N ATOM 198 CA ASN A 14 8.663 9.990 -1.229 1.00 0.00 C ATOM 199 C ASN A 14 9.348 8.978 -0.314 1.00 0.00 C ATOM 200 O ASN A 14 10.531 9.109 0.004 1.00 0.00 O ATOM 201 CB ASN A 14 9.380 11.336 -1.110 1.00 0.00 C ATOM 202 CG ASN A 14 8.697 12.358 -2.012 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.469 12.097 -3.193 1.00 0.00 O ATOM 204 ND2 ASN A 14 8.355 13.518 -1.522 1.00 0.00 N ATOM 0 H ASN A 14 6.601 9.882 -1.624 1.00 0.00 H new ATOM 0 HA ASN A 14 8.718 9.642 -2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.362 11.679 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.427 11.228 -1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.899 14.209 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.544 13.734 -0.543 1.00 0.00 H new ATOM 211 N THR A 15 8.592 7.969 0.105 1.00 0.00 N ATOM 212 CA THR A 15 9.134 6.937 0.984 1.00 0.00 C ATOM 213 C THR A 15 8.809 5.550 0.441 1.00 0.00 C ATOM 214 O THR A 15 7.719 5.309 -0.079 1.00 0.00 O ATOM 215 CB THR A 15 8.551 7.071 2.392 1.00 0.00 C ATOM 216 OG1 THR A 15 8.696 8.413 2.837 1.00 0.00 O ATOM 217 CG2 THR A 15 9.289 6.132 3.345 1.00 0.00 C ATOM 0 H THR A 15 7.611 7.843 -0.146 1.00 0.00 H new ATOM 0 HA THR A 15 10.215 7.066 1.026 1.00 0.00 H new ATOM 0 HB THR A 15 7.494 6.806 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.239 8.430 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.872 6.229 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.175 5.103 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.347 6.393 3.366 1.00 0.00 H new ATOM 225 N ALA A 16 9.769 4.638 0.571 1.00 0.00 N ATOM 226 CA ALA A 16 9.579 3.272 0.091 1.00 0.00 C ATOM 227 C ALA A 16 8.542 2.548 0.946 1.00 0.00 C ATOM 228 O ALA A 16 8.504 2.704 2.166 1.00 0.00 O ATOM 229 CB ALA A 16 10.896 2.497 0.143 1.00 0.00 C ATOM 0 H ALA A 16 10.677 4.817 1.000 1.00 0.00 H new ATOM 0 HA ALA A 16 9.230 3.323 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.735 1.481 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.635 2.993 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.258 2.463 1.171 1.00 0.00 H new ATOM 235 N LEU A 17 7.703 1.753 0.288 1.00 0.00 N ATOM 236 CA LEU A 17 6.666 1.007 0.995 1.00 0.00 C ATOM 237 C LEU A 17 7.264 -0.222 1.672 1.00 0.00 C ATOM 238 O LEU A 17 8.419 -0.578 1.438 1.00 0.00 O ATOM 239 CB LEU A 17 5.574 0.556 0.023 1.00 0.00 C ATOM 240 CG LEU A 17 4.861 1.783 -0.549 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.001 1.364 -1.742 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.970 2.402 0.529 1.00 0.00 C ATOM 0 H LEU A 17 7.719 1.609 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 17 6.233 1.665 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.011 -0.033 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.859 -0.087 0.536 1.00 0.00 H new ATOM 0 HG LEU A 17 5.601 2.514 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.493 2.238 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.635 0.922 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.261 0.633 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.461 3.276 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.230 1.670 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.582 2.701 1.380 1.00 0.00 H new ATOM 254 N THR A 18 6.465 -0.865 2.518 1.00 0.00 N ATOM 255 CA THR A 18 6.924 -2.055 3.228 1.00 0.00 C ATOM 256 C THR A 18 5.752 -2.990 3.512 1.00 0.00 C ATOM 257 O THR A 18 4.590 -2.612 3.368 1.00 0.00 O ATOM 258 CB THR A 18 7.585 -1.669 4.552 1.00 0.00 C ATOM 259 OG1 THR A 18 6.917 -0.541 5.102 1.00 0.00 O ATOM 260 CG2 THR A 18 9.056 -1.325 4.310 1.00 0.00 C ATOM 0 H THR A 18 5.506 -0.586 2.728 1.00 0.00 H new ATOM 0 HA THR A 18 7.651 -2.564 2.595 1.00 0.00 H new ATOM 0 HB THR A 18 7.520 -2.506 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.338 -0.293 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.526 -1.050 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.568 -2.190 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.124 -0.489 3.614 1.00 0.00 H new ATOM 268 N LEU A 19 6.073 -4.214 3.919 1.00 0.00 N ATOM 269 CA LEU A 19 5.039 -5.199 4.225 1.00 0.00 C ATOM 270 C LEU A 19 4.174 -4.716 5.386 1.00 0.00 C ATOM 271 O LEU A 19 2.980 -5.008 5.452 1.00 0.00 O ATOM 272 CB LEU A 19 5.673 -6.546 4.601 1.00 0.00 C ATOM 273 CG LEU A 19 6.109 -7.310 3.340 1.00 0.00 C ATOM 274 CD1 LEU A 19 4.891 -7.597 2.457 1.00 0.00 C ATOM 275 CD2 LEU A 19 7.127 -6.479 2.551 1.00 0.00 C ATOM 0 H LEU A 19 7.029 -4.546 4.044 1.00 0.00 H new ATOM 0 HA LEU A 19 4.420 -5.326 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.534 -6.381 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.959 -7.145 5.167 1.00 0.00 H new ATOM 0 HG LEU A 19 6.568 -8.252 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.207 -8.138 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.173 -8.201 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.424 -6.657 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.431 -7.027 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.674 -5.532 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.001 -6.287 3.174 1.00 0.00 H new ATOM 287 N VAL A 20 4.793 -3.975 6.302 1.00 0.00 N ATOM 288 CA VAL A 20 4.070 -3.455 7.459 1.00 0.00 C ATOM 289 C VAL A 20 3.006 -2.452 7.022 1.00 0.00 C ATOM 290 O VAL A 20 1.965 -2.314 7.666 1.00 0.00 O ATOM 291 CB VAL A 20 5.034 -2.771 8.435 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.950 -3.822 9.066 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.884 -1.741 7.685 1.00 0.00 C ATOM 0 H VAL A 20 5.781 -3.724 6.267 1.00 0.00 H new ATOM 0 HA VAL A 20 3.589 -4.297 7.957 1.00 0.00 H new ATOM 0 HB VAL A 20 4.461 -2.268 9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.636 -3.337 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.347 -4.554 9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.520 -4.324 8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.568 -1.257 8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.456 -2.241 6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.234 -0.991 7.235 1.00 0.00 H new ATOM 303 N MET A 21 3.275 -1.752 5.923 1.00 0.00 N ATOM 304 CA MET A 21 2.328 -0.763 5.412 1.00 0.00 C ATOM 305 C MET A 21 1.581 -1.309 4.195 1.00 0.00 C ATOM 306 O MET A 21 1.149 -0.552 3.327 1.00 0.00 O ATOM 307 CB MET A 21 3.055 0.524 5.009 1.00 0.00 C ATOM 308 CG MET A 21 3.965 0.982 6.152 1.00 0.00 C ATOM 309 SD MET A 21 4.110 2.786 6.130 1.00 0.00 S ATOM 310 CE MET A 21 5.449 2.888 4.918 1.00 0.00 C ATOM 0 H MET A 21 4.130 -1.848 5.374 1.00 0.00 H new ATOM 0 HA MET A 21 1.616 -0.545 6.208 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.644 0.353 4.108 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.331 1.304 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.559 0.652 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.950 0.527 6.050 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.779 3.923 4.826 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.284 2.269 5.245 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.092 2.534 3.951 1.00 0.00 H new ATOM 320 N MET A 22 1.435 -2.632 4.141 1.00 0.00 N ATOM 321 CA MET A 22 0.741 -3.267 3.026 1.00 0.00 C ATOM 322 C MET A 22 -0.018 -4.500 3.506 1.00 0.00 C ATOM 323 O MET A 22 0.523 -5.339 4.226 1.00 0.00 O ATOM 324 CB MET A 22 1.743 -3.686 1.949 1.00 0.00 C ATOM 325 CG MET A 22 1.925 -2.544 0.945 1.00 0.00 C ATOM 326 SD MET A 22 3.606 -2.584 0.269 1.00 0.00 S ATOM 327 CE MET A 22 3.606 -4.308 -0.283 1.00 0.00 C ATOM 0 H MET A 22 1.784 -3.278 4.849 1.00 0.00 H new ATOM 0 HA MET A 22 0.037 -2.547 2.609 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.700 -3.938 2.406 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.389 -4.581 1.437 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.197 -2.636 0.139 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.742 -1.586 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.472 -4.486 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.652 -4.968 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.694 -4.510 -0.844 1.00 0.00 H new ATOM 337 N ARG A 23 -1.280 -4.600 3.098 1.00 0.00 N ATOM 338 CA ARG A 23 -2.109 -5.736 3.494 1.00 0.00 C ATOM 339 C ARG A 23 -3.162 -6.024 2.428 1.00 0.00 C ATOM 340 O ARG A 23 -3.229 -5.348 1.400 1.00 0.00 O ATOM 341 CB ARG A 23 -2.812 -5.450 4.822 1.00 0.00 C ATOM 342 CG ARG A 23 -3.581 -4.132 4.719 1.00 0.00 C ATOM 343 CD ARG A 23 -4.262 -3.833 6.056 1.00 0.00 C ATOM 344 NE ARG A 23 -5.582 -4.455 6.112 1.00 0.00 N ATOM 345 CZ ARG A 23 -5.954 -5.180 7.163 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.254 -4.592 8.288 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.016 -6.481 7.069 1.00 0.00 N ATOM 0 H ARG A 23 -1.747 -3.918 2.501 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.458 -6.603 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.495 -6.264 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.081 -5.394 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.901 -3.322 4.456 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.326 -4.194 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.645 -4.203 6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.356 -2.755 6.189 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.229 -4.331 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.203 -3.576 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.539 -5.148 9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.779 -6.941 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.301 -7.038 7.875 1.00 0.00 H new ATOM 361 N SER A 24 -3.984 -7.037 2.686 1.00 0.00 N ATOM 362 CA SER A 24 -5.035 -7.411 1.743 1.00 0.00 C ATOM 363 C SER A 24 -6.409 -7.133 2.342 1.00 0.00 C ATOM 364 O SER A 24 -6.665 -7.423 3.511 1.00 0.00 O ATOM 365 CB SER A 24 -4.936 -8.896 1.393 1.00 0.00 C ATOM 366 OG SER A 24 -3.569 -9.288 1.389 1.00 0.00 O ATOM 0 H SER A 24 -3.945 -7.608 3.530 1.00 0.00 H new ATOM 0 HA SER A 24 -4.904 -6.816 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.494 -9.490 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.382 -9.082 0.416 1.00 0.00 H new ATOM 0 HG SER A 24 -3.502 -10.240 1.167 1.00 0.00 H new ATOM 372 N GLU A 25 -7.294 -6.565 1.526 1.00 0.00 N ATOM 373 CA GLU A 25 -8.644 -6.250 1.983 1.00 0.00 C ATOM 374 C GLU A 25 -9.529 -5.862 0.803 1.00 0.00 C ATOM 375 O GLU A 25 -9.079 -5.222 -0.147 1.00 0.00 O ATOM 376 CB GLU A 25 -8.614 -5.093 2.984 1.00 0.00 C ATOM 377 CG GLU A 25 -9.907 -5.091 3.801 1.00 0.00 C ATOM 378 CD GLU A 25 -9.630 -4.528 5.191 1.00 0.00 C ATOM 379 OE1 GLU A 25 -8.644 -4.930 5.785 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.409 -3.704 5.642 1.00 0.00 O ATOM 0 H GLU A 25 -7.103 -6.316 0.555 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.051 -7.138 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.754 -5.193 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.503 -4.145 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.666 -4.491 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.302 -6.104 3.879 1.00 0.00 H new ATOM 387 N VAL A 26 -10.797 -6.259 0.874 1.00 0.00 N ATOM 388 CA VAL A 26 -11.744 -5.950 -0.194 1.00 0.00 C ATOM 389 C VAL A 26 -12.166 -4.485 -0.121 1.00 0.00 C ATOM 390 O VAL A 26 -12.872 -4.071 0.798 1.00 0.00 O ATOM 391 CB VAL A 26 -12.989 -6.834 -0.084 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.874 -6.632 -1.315 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.567 -8.304 0.001 1.00 0.00 C ATOM 0 H VAL A 26 -11.190 -6.790 1.651 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.250 -6.141 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.546 -6.561 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.759 -7.263 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.177 -5.587 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.317 -6.902 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.454 -8.933 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.008 -8.574 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.938 -8.452 0.879 1.00 0.00 H new ATOM 403 N VAL A 27 -11.722 -3.705 -1.103 1.00 0.00 N ATOM 404 CA VAL A 27 -12.057 -2.285 -1.145 1.00 0.00 C ATOM 405 C VAL A 27 -12.455 -1.872 -2.558 1.00 0.00 C ATOM 406 O VAL A 27 -12.248 -2.615 -3.518 1.00 0.00 O ATOM 407 CB VAL A 27 -10.863 -1.439 -0.697 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.564 -1.717 0.777 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.638 -1.799 -1.541 1.00 0.00 C ATOM 0 H VAL A 27 -11.136 -4.028 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.895 -2.118 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.098 -0.383 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.714 -1.114 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.436 -1.462 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.329 -2.773 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.787 -1.197 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.404 -2.856 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.849 -1.601 -2.592 1.00 0.00 H new ATOM 419 N THR A 28 -13.027 -0.677 -2.676 1.00 0.00 N ATOM 420 CA THR A 28 -13.447 -0.171 -3.979 1.00 0.00 C ATOM 421 C THR A 28 -12.891 1.241 -4.207 1.00 0.00 C ATOM 422 O THR A 28 -12.806 2.031 -3.267 1.00 0.00 O ATOM 423 CB THR A 28 -14.976 -0.129 -4.071 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.360 0.461 -5.305 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.538 0.694 -2.910 1.00 0.00 C ATOM 0 H THR A 28 -13.209 -0.047 -1.895 1.00 0.00 H new ATOM 0 HA THR A 28 -13.058 -0.843 -4.744 1.00 0.00 H new ATOM 0 HB THR A 28 -15.371 -1.144 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.338 0.487 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.626 0.723 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.245 0.237 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.145 1.709 -2.960 1.00 0.00 H new ATOM 433 N PRO A 29 -12.502 1.582 -5.450 1.00 0.00 N ATOM 434 CA PRO A 29 -12.579 0.679 -6.622 1.00 0.00 C ATOM 435 C PRO A 29 -11.422 -0.315 -6.672 1.00 0.00 C ATOM 436 O PRO A 29 -10.406 -0.142 -5.998 1.00 0.00 O ATOM 437 CB PRO A 29 -12.508 1.654 -7.789 1.00 0.00 C ATOM 438 CG PRO A 29 -11.819 2.913 -7.277 1.00 0.00 C ATOM 439 CD PRO A 29 -11.950 2.919 -5.751 1.00 0.00 C ATOM 0 HA PRO A 29 -13.472 0.055 -6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.951 1.221 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.507 1.885 -8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.770 2.923 -7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.279 3.803 -7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.987 3.075 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.612 3.714 -5.408 1.00 0.00 H new ATOM 447 N VAL A 30 -11.591 -1.362 -7.475 1.00 0.00 N ATOM 448 CA VAL A 30 -10.558 -2.385 -7.607 1.00 0.00 C ATOM 449 C VAL A 30 -9.271 -1.774 -8.166 1.00 0.00 C ATOM 450 O VAL A 30 -9.257 -1.214 -9.262 1.00 0.00 O ATOM 451 CB VAL A 30 -11.045 -3.520 -8.524 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.329 -2.976 -9.927 1.00 0.00 C ATOM 453 CG2 VAL A 30 -9.978 -4.618 -8.607 1.00 0.00 C ATOM 0 H VAL A 30 -12.425 -1.524 -8.039 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.350 -2.796 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.962 -3.938 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.673 -3.787 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.099 -2.207 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.417 -2.547 -10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.330 -5.419 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.056 -4.200 -9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.789 -5.017 -7.611 1.00 0.00 H new ATOM 463 N GLY A 31 -8.192 -1.894 -7.397 1.00 0.00 N ATOM 464 CA GLY A 31 -6.901 -1.357 -7.819 1.00 0.00 C ATOM 465 C GLY A 31 -5.889 -2.480 -8.012 1.00 0.00 C ATOM 466 O GLY A 31 -6.167 -3.479 -8.675 1.00 0.00 O ATOM 0 H GLY A 31 -8.185 -2.354 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.019 -0.803 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.533 -0.653 -7.073 1.00 0.00 H new ATOM 470 N ILE A 32 -4.710 -2.308 -7.420 1.00 0.00 N ATOM 471 CA ILE A 32 -3.661 -3.318 -7.527 1.00 0.00 C ATOM 472 C ILE A 32 -4.085 -4.590 -6.777 1.00 0.00 C ATOM 473 O ILE A 32 -4.670 -4.505 -5.697 1.00 0.00 O ATOM 474 CB ILE A 32 -2.351 -2.788 -6.936 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.973 -1.477 -7.634 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.231 -3.812 -7.146 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.808 -0.819 -6.893 1.00 0.00 C ATOM 0 H ILE A 32 -4.459 -1.488 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.506 -3.551 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.485 -2.614 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.695 -1.672 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.830 -0.804 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.303 -3.428 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.495 -4.747 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.097 -3.991 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.540 0.113 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.103 -0.610 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.050 -1.491 -6.895 1.00 0.00 H new ATOM 489 N PRO A 33 -3.807 -5.788 -7.329 1.00 0.00 N ATOM 490 CA PRO A 33 -4.188 -7.050 -6.670 1.00 0.00 C ATOM 491 C PRO A 33 -3.200 -7.477 -5.586 1.00 0.00 C ATOM 492 O PRO A 33 -2.054 -7.028 -5.556 1.00 0.00 O ATOM 493 CB PRO A 33 -4.180 -8.038 -7.829 1.00 0.00 C ATOM 494 CG PRO A 33 -3.258 -7.467 -8.899 1.00 0.00 C ATOM 495 CD PRO A 33 -3.106 -5.967 -8.623 1.00 0.00 C ATOM 0 HA PRO A 33 -5.142 -6.975 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.828 -9.016 -7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.187 -8.178 -8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.287 -7.962 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.674 -7.634 -9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.058 -5.674 -8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.557 -5.365 -9.412 1.00 0.00 H new ATOM 503 N ALA A 34 -3.663 -8.352 -4.698 1.00 0.00 N ATOM 504 CA ALA A 34 -2.822 -8.846 -3.608 1.00 0.00 C ATOM 505 C ALA A 34 -1.683 -9.720 -4.138 1.00 0.00 C ATOM 506 O ALA A 34 -0.695 -9.955 -3.443 1.00 0.00 O ATOM 507 CB ALA A 34 -3.659 -9.666 -2.624 1.00 0.00 C ATOM 0 H ALA A 34 -4.609 -8.733 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.396 -7.979 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.021 -10.028 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.449 -9.040 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.104 -10.515 -3.144 1.00 0.00 H new ATOM 513 N GLU A 35 -1.826 -10.209 -5.369 1.00 0.00 N ATOM 514 CA GLU A 35 -0.794 -11.057 -5.960 1.00 0.00 C ATOM 515 C GLU A 35 0.504 -10.281 -6.200 1.00 0.00 C ATOM 516 O GLU A 35 1.548 -10.878 -6.467 1.00 0.00 O ATOM 517 CB GLU A 35 -1.279 -11.631 -7.292 1.00 0.00 C ATOM 518 CG GLU A 35 -2.572 -12.419 -7.070 1.00 0.00 C ATOM 519 CD GLU A 35 -3.416 -12.381 -8.339 1.00 0.00 C ATOM 520 OE1 GLU A 35 -2.852 -12.547 -9.407 1.00 0.00 O ATOM 521 OE2 GLU A 35 -4.615 -12.187 -8.223 1.00 0.00 O ATOM 0 H GLU A 35 -2.633 -10.036 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.595 -11.863 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.450 -10.825 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.515 -12.280 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.341 -13.451 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.131 -11.994 -6.236 1.00 0.00 H new ATOM 528 N ASP A 36 0.442 -8.949 -6.117 1.00 0.00 N ATOM 529 CA ASP A 36 1.634 -8.134 -6.344 1.00 0.00 C ATOM 530 C ASP A 36 2.078 -7.413 -5.070 1.00 0.00 C ATOM 531 O ASP A 36 2.770 -6.398 -5.131 1.00 0.00 O ATOM 532 CB ASP A 36 1.367 -7.092 -7.432 1.00 0.00 C ATOM 533 CG ASP A 36 1.019 -7.798 -8.738 1.00 0.00 C ATOM 534 OD1 ASP A 36 1.831 -8.585 -9.198 1.00 0.00 O ATOM 535 OD2 ASP A 36 -0.053 -7.540 -9.260 1.00 0.00 O ATOM 0 H ASP A 36 -0.404 -8.422 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 36 2.429 -8.810 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.549 -6.438 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.245 -6.461 -7.570 1.00 0.00 H new ATOM 540 N ILE A 37 1.691 -7.949 -3.913 1.00 0.00 N ATOM 541 CA ILE A 37 2.080 -7.338 -2.644 1.00 0.00 C ATOM 542 C ILE A 37 3.614 -7.347 -2.482 1.00 0.00 C ATOM 543 O ILE A 37 4.196 -6.321 -2.129 1.00 0.00 O ATOM 544 CB ILE A 37 1.412 -8.062 -1.461 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.106 -7.907 -1.573 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.872 -7.455 -0.130 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.793 -9.067 -0.848 1.00 0.00 C ATOM 0 H ILE A 37 1.119 -8.789 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 37 1.739 -6.303 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 37 1.693 -9.115 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.418 -6.957 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.404 -7.892 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.390 -7.979 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.954 -7.554 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.600 -6.400 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.874 -8.957 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.490 -10.010 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.504 -9.061 0.203 1.00 0.00 H new ATOM 559 N PRO A 38 4.299 -8.481 -2.733 1.00 0.00 N ATOM 560 CA PRO A 38 5.769 -8.532 -2.595 1.00 0.00 C ATOM 561 C PRO A 38 6.499 -7.863 -3.762 1.00 0.00 C ATOM 562 O PRO A 38 7.671 -7.504 -3.651 1.00 0.00 O ATOM 563 CB PRO A 38 6.050 -10.028 -2.565 1.00 0.00 C ATOM 564 CG PRO A 38 4.882 -10.713 -3.257 1.00 0.00 C ATOM 565 CD PRO A 38 3.686 -9.763 -3.167 1.00 0.00 C ATOM 0 HA PRO A 38 6.120 -7.994 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.987 -10.255 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.151 -10.381 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.124 -10.930 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.655 -11.665 -2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.180 -9.662 -4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.944 -10.117 -2.451 1.00 0.00 H new ATOM 573 N ARG A 39 5.793 -7.696 -4.880 1.00 0.00 N ATOM 574 CA ARG A 39 6.389 -7.065 -6.055 1.00 0.00 C ATOM 575 C ARG A 39 6.440 -5.548 -5.886 1.00 0.00 C ATOM 576 O ARG A 39 7.301 -4.878 -6.455 1.00 0.00 O ATOM 577 CB ARG A 39 5.576 -7.398 -7.309 1.00 0.00 C ATOM 578 CG ARG A 39 6.510 -7.477 -8.518 1.00 0.00 C ATOM 579 CD ARG A 39 7.093 -8.888 -8.622 1.00 0.00 C ATOM 580 NE ARG A 39 7.749 -9.079 -9.912 1.00 0.00 N ATOM 581 CZ ARG A 39 7.071 -9.522 -10.967 1.00 0.00 C ATOM 582 NH1 ARG A 39 6.409 -8.682 -11.717 1.00 0.00 N ATOM 583 NH2 ARG A 39 7.067 -10.795 -11.253 1.00 0.00 N ATOM 0 H ARG A 39 4.822 -7.984 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 39 7.403 -7.450 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.055 -8.346 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.814 -6.636 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.965 -7.229 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.313 -6.747 -8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.809 -9.052 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.300 -9.625 -8.499 1.00 0.00 H new ATOM 0 HE ARG A 39 8.743 -8.869 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.412 -7.687 -11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.889 -9.021 -12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.584 -11.451 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.547 -11.134 -12.062 1.00 0.00 H new ATOM 597 N LEU A 40 5.508 -5.012 -5.099 1.00 0.00 N ATOM 598 CA LEU A 40 5.458 -3.571 -4.867 1.00 0.00 C ATOM 599 C LEU A 40 6.136 -3.212 -3.544 1.00 0.00 C ATOM 600 O LEU A 40 5.713 -2.292 -2.844 1.00 0.00 O ATOM 601 CB LEU A 40 4.007 -3.083 -4.829 1.00 0.00 C ATOM 602 CG LEU A 40 3.486 -2.900 -6.259 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.664 -4.125 -6.666 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.602 -1.652 -6.327 1.00 0.00 C ATOM 0 H LEU A 40 4.786 -5.547 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 40 5.986 -3.085 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.385 -3.801 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.944 -2.140 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 40 4.331 -2.786 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.294 -3.994 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.291 -5.015 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.821 -4.240 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.232 -1.523 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.759 -1.766 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.185 -0.777 -6.039 1.00 0.00 H new ATOM 616 N VAL A 41 7.193 -3.946 -3.211 1.00 0.00 N ATOM 617 CA VAL A 41 7.922 -3.692 -1.972 1.00 0.00 C ATOM 618 C VAL A 41 9.009 -2.646 -2.203 1.00 0.00 C ATOM 619 O VAL A 41 9.687 -2.650 -3.231 1.00 0.00 O ATOM 620 CB VAL A 41 8.565 -4.982 -1.449 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.192 -4.727 -0.075 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.496 -6.069 -1.320 1.00 0.00 C ATOM 0 H VAL A 41 7.561 -4.713 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 41 7.212 -3.322 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 41 9.337 -5.306 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.648 -5.646 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.955 -3.953 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.420 -4.400 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.953 -6.986 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.725 -5.740 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.048 -6.256 -2.296 1.00 0.00 H new ATOM 632 N SER A 42 9.165 -1.750 -1.232 1.00 0.00 N ATOM 633 CA SER A 42 10.172 -0.695 -1.331 1.00 0.00 C ATOM 634 C SER A 42 9.900 0.193 -2.542 1.00 0.00 C ATOM 635 O SER A 42 10.822 0.716 -3.167 1.00 0.00 O ATOM 636 CB SER A 42 11.573 -1.296 -1.459 1.00 0.00 C ATOM 637 OG SER A 42 12.526 -0.377 -0.944 1.00 0.00 O ATOM 0 H SER A 42 8.613 -1.732 -0.375 1.00 0.00 H new ATOM 0 HA SER A 42 10.117 -0.097 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.628 -2.239 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.792 -1.518 -2.503 1.00 0.00 H new ATOM 0 HG SER A 42 13.425 -0.759 -1.023 1.00 0.00 H new ATOM 643 N MET A 43 8.619 0.358 -2.864 1.00 0.00 N ATOM 644 CA MET A 43 8.231 1.187 -4.002 1.00 0.00 C ATOM 645 C MET A 43 7.888 2.599 -3.537 1.00 0.00 C ATOM 646 O MET A 43 7.195 2.789 -2.539 1.00 0.00 O ATOM 647 CB MET A 43 7.017 0.587 -4.714 1.00 0.00 C ATOM 648 CG MET A 43 7.462 -0.604 -5.566 1.00 0.00 C ATOM 649 SD MET A 43 6.362 -0.769 -6.994 1.00 0.00 S ATOM 650 CE MET A 43 7.151 0.483 -8.035 1.00 0.00 C ATOM 0 H MET A 43 7.840 -0.066 -2.360 1.00 0.00 H new ATOM 0 HA MET A 43 9.073 1.225 -4.694 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.274 0.267 -3.983 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.542 1.340 -5.343 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.490 -0.462 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.443 -1.517 -4.971 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.397 0.971 -8.652 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.640 1.225 -7.404 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.893 0.008 -8.677 1.00 0.00 H new ATOM 660 N GLN A 44 8.383 3.588 -4.276 1.00 0.00 N ATOM 661 CA GLN A 44 8.126 4.983 -3.931 1.00 0.00 C ATOM 662 C GLN A 44 6.873 5.487 -4.641 1.00 0.00 C ATOM 663 O GLN A 44 6.582 5.098 -5.772 1.00 0.00 O ATOM 664 CB GLN A 44 9.312 5.862 -4.333 1.00 0.00 C ATOM 665 CG GLN A 44 10.576 5.365 -3.628 1.00 0.00 C ATOM 666 CD GLN A 44 11.580 6.507 -3.515 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.292 6.813 -4.472 1.00 0.00 O ATOM 668 NE2 GLN A 44 11.679 7.164 -2.392 1.00 0.00 N ATOM 0 H GLN A 44 8.958 3.453 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 44 7.981 5.040 -2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.450 5.833 -5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.117 6.900 -4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.327 4.987 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.013 4.536 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.089 6.911 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.346 7.931 -2.307 1.00 0.00 H new ATOM 677 N VAL A 45 6.135 6.360 -3.961 1.00 0.00 N ATOM 678 CA VAL A 45 4.911 6.918 -4.531 1.00 0.00 C ATOM 679 C VAL A 45 5.118 8.385 -4.894 1.00 0.00 C ATOM 680 O VAL A 45 6.162 8.969 -4.607 1.00 0.00 O ATOM 681 CB VAL A 45 3.758 6.809 -3.533 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.421 5.335 -3.301 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.169 7.453 -2.207 1.00 0.00 C ATOM 0 H VAL A 45 6.359 6.694 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 45 4.666 6.351 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 45 2.883 7.323 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.599 5.257 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.128 4.876 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.295 4.820 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.347 7.376 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.044 6.939 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.409 8.503 -2.372 1.00 0.00 H new ATOM 693 N ASN A 46 4.108 8.974 -5.530 1.00 0.00 N ATOM 694 CA ASN A 46 4.191 10.378 -5.927 1.00 0.00 C ATOM 695 C ASN A 46 3.602 11.280 -4.844 1.00 0.00 C ATOM 696 O ASN A 46 4.032 12.419 -4.663 1.00 0.00 O ATOM 697 CB ASN A 46 3.449 10.614 -7.250 1.00 0.00 C ATOM 698 CG ASN A 46 1.975 10.241 -7.104 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.624 9.063 -7.075 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.083 11.190 -7.017 1.00 0.00 N ATOM 0 H ASN A 46 3.235 8.510 -5.779 1.00 0.00 H new ATOM 0 HA ASN A 46 5.244 10.624 -6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.539 11.660 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.905 10.020 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.095 10.954 -6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.374 12.167 -7.041 1.00 0.00 H new ATOM 707 N ARG A 47 2.611 10.756 -4.124 1.00 0.00 N ATOM 708 CA ARG A 47 1.969 11.524 -3.059 1.00 0.00 C ATOM 709 C ARG A 47 1.819 10.668 -1.804 1.00 0.00 C ATOM 710 O ARG A 47 2.249 9.516 -1.765 1.00 0.00 O ATOM 711 CB ARG A 47 0.586 12.006 -3.504 1.00 0.00 C ATOM 712 CG ARG A 47 -0.260 10.809 -3.947 1.00 0.00 C ATOM 713 CD ARG A 47 -1.744 11.146 -3.788 1.00 0.00 C ATOM 714 NE ARG A 47 -2.162 12.116 -4.796 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.369 12.674 -4.749 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.666 13.507 -3.788 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.256 12.390 -5.664 1.00 0.00 N ATOM 0 H ARG A 47 2.239 9.815 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 47 2.598 12.386 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.092 12.530 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.685 12.717 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.042 10.561 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.009 9.932 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.340 10.238 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.926 11.548 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.520 12.369 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.973 13.730 -3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.591 13.935 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.024 11.740 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.181 12.818 -5.628 1.00 0.00 H new ATOM 731 N ALA A 48 1.199 11.247 -0.779 1.00 0.00 N ATOM 732 CA ALA A 48 0.991 10.529 0.475 1.00 0.00 C ATOM 733 C ALA A 48 -0.066 9.444 0.292 1.00 0.00 C ATOM 734 O ALA A 48 -0.981 9.581 -0.519 1.00 0.00 O ATOM 735 CB ALA A 48 0.536 11.490 1.575 1.00 0.00 C ATOM 0 H ALA A 48 0.836 12.200 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 48 1.937 10.073 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.386 10.937 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.297 12.255 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.400 11.964 1.280 1.00 0.00 H new ATOM 741 N VAL A 49 0.073 8.363 1.054 1.00 0.00 N ATOM 742 CA VAL A 49 -0.875 7.256 0.964 1.00 0.00 C ATOM 743 C VAL A 49 -1.340 6.832 2.362 1.00 0.00 C ATOM 744 O VAL A 49 -0.720 5.971 2.988 1.00 0.00 O ATOM 745 CB VAL A 49 -0.233 6.053 0.268 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.296 4.983 0.010 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.372 6.497 -1.067 1.00 0.00 C ATOM 0 H VAL A 49 0.823 8.230 1.733 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.732 7.597 0.383 1.00 0.00 H new ATOM 0 HB VAL A 49 0.550 5.643 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.838 4.127 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.729 4.664 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.079 5.394 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.829 5.640 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.412 6.908 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.130 7.259 -0.887 1.00 0.00 H new ATOM 757 N PRO A 50 -2.435 7.421 2.874 1.00 0.00 N ATOM 758 CA PRO A 50 -2.955 7.070 4.210 1.00 0.00 C ATOM 759 C PRO A 50 -3.748 5.766 4.207 1.00 0.00 C ATOM 760 O PRO A 50 -3.958 5.149 3.161 1.00 0.00 O ATOM 761 CB PRO A 50 -3.854 8.254 4.536 1.00 0.00 C ATOM 762 CG PRO A 50 -4.262 8.884 3.211 1.00 0.00 C ATOM 763 CD PRO A 50 -3.222 8.462 2.168 1.00 0.00 C ATOM 0 HA PRO A 50 -2.160 6.901 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.732 7.929 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.328 8.976 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.258 8.551 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.301 9.970 3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.692 8.069 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.597 9.300 1.861 1.00 0.00 H new ATOM 771 N LEU A 51 -4.183 5.351 5.394 1.00 0.00 N ATOM 772 CA LEU A 51 -4.949 4.115 5.530 1.00 0.00 C ATOM 773 C LEU A 51 -6.265 4.208 4.765 1.00 0.00 C ATOM 774 O LEU A 51 -6.952 5.229 4.799 1.00 0.00 O ATOM 775 CB LEU A 51 -5.252 3.833 7.003 1.00 0.00 C ATOM 776 CG LEU A 51 -3.951 3.513 7.741 1.00 0.00 C ATOM 777 CD1 LEU A 51 -3.382 4.794 8.355 1.00 0.00 C ATOM 778 CD2 LEU A 51 -4.234 2.500 8.852 1.00 0.00 C ATOM 0 H LEU A 51 -4.020 5.848 6.270 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.348 3.305 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.737 4.697 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.946 2.997 7.089 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.229 3.095 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.455 4.565 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.182 5.518 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.103 5.213 9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.308 2.270 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.956 2.920 9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.640 1.587 8.417 1.00 0.00 H new ATOM 790 N GLY A 52 -6.610 3.123 4.075 1.00 0.00 N ATOM 791 CA GLY A 52 -7.852 3.082 3.304 1.00 0.00 C ATOM 792 C GLY A 52 -7.589 3.367 1.829 1.00 0.00 C ATOM 793 O GLY A 52 -8.278 2.850 0.950 1.00 0.00 O ATOM 0 H GLY A 52 -6.054 2.269 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.319 2.103 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.555 3.815 3.700 1.00 0.00 H new ATOM 797 N THR A 53 -6.584 4.198 1.567 1.00 0.00 N ATOM 798 CA THR A 53 -6.239 4.549 0.192 1.00 0.00 C ATOM 799 C THR A 53 -5.781 3.314 -0.576 1.00 0.00 C ATOM 800 O THR A 53 -4.691 2.790 -0.347 1.00 0.00 O ATOM 801 CB THR A 53 -5.121 5.592 0.173 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.229 6.417 1.324 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.242 6.450 -1.086 1.00 0.00 C ATOM 0 H THR A 53 -6.000 4.637 2.279 1.00 0.00 H new ATOM 0 HA THR A 53 -7.129 4.961 -0.284 1.00 0.00 H new ATOM 0 HB THR A 53 -4.154 5.090 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.517 6.189 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.444 7.193 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.160 5.815 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.208 6.955 -1.091 1.00 0.00 H new ATOM 811 N THR A 54 -6.629 2.857 -1.494 1.00 0.00 N ATOM 812 CA THR A 54 -6.305 1.681 -2.298 1.00 0.00 C ATOM 813 C THR A 54 -5.074 1.949 -3.158 1.00 0.00 C ATOM 814 O THR A 54 -5.072 2.844 -4.004 1.00 0.00 O ATOM 815 CB THR A 54 -7.480 1.316 -3.210 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.676 1.280 -2.445 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.234 -0.056 -3.841 1.00 0.00 C ATOM 0 H THR A 54 -7.536 3.277 -1.699 1.00 0.00 H new ATOM 0 HA THR A 54 -6.102 0.853 -1.619 1.00 0.00 H new ATOM 0 HB THR A 54 -7.574 2.063 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.430 1.048 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.071 -0.314 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.316 -0.027 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.139 -0.806 -3.056 1.00 0.00 H new ATOM 825 N LEU A 55 -4.025 1.164 -2.930 1.00 0.00 N ATOM 826 CA LEU A 55 -2.787 1.323 -3.688 1.00 0.00 C ATOM 827 C LEU A 55 -3.037 1.084 -5.173 1.00 0.00 C ATOM 828 O LEU A 55 -3.355 -0.029 -5.594 1.00 0.00 O ATOM 829 CB LEU A 55 -1.727 0.334 -3.196 1.00 0.00 C ATOM 830 CG LEU A 55 -0.336 0.939 -3.391 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.057 1.949 -2.276 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.713 -0.173 -3.346 1.00 0.00 C ATOM 0 H LEU A 55 -4.006 0.419 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.430 2.342 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.891 0.103 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.807 -0.604 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.291 1.443 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.934 2.380 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.805 2.741 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.102 1.446 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.705 0.257 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.668 -0.677 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.515 -0.892 -4.140 1.00 0.00 H new ATOM 844 N MET A 56 -2.891 2.144 -5.962 1.00 0.00 N ATOM 845 CA MET A 56 -3.104 2.043 -7.403 1.00 0.00 C ATOM 846 C MET A 56 -1.763 1.920 -8.135 1.00 0.00 C ATOM 847 O MET A 56 -0.724 2.304 -7.599 1.00 0.00 O ATOM 848 CB MET A 56 -3.844 3.277 -7.922 1.00 0.00 C ATOM 849 CG MET A 56 -5.354 3.055 -7.806 1.00 0.00 C ATOM 850 SD MET A 56 -6.214 4.133 -8.977 1.00 0.00 S ATOM 851 CE MET A 56 -7.434 2.922 -9.545 1.00 0.00 C ATOM 0 H MET A 56 -2.629 3.073 -5.633 1.00 0.00 H new ATOM 0 HA MET A 56 -3.704 1.153 -7.593 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.550 4.157 -7.350 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.573 3.467 -8.960 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.596 2.012 -8.010 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.686 3.266 -6.790 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.084 3.382 -10.289 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.921 2.069 -9.990 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.033 2.584 -8.699 1.00 0.00 H new ATOM 861 N PRO A 57 -1.765 1.386 -9.369 1.00 0.00 N ATOM 862 CA PRO A 57 -0.524 1.228 -10.150 1.00 0.00 C ATOM 863 C PRO A 57 -0.087 2.523 -10.831 1.00 0.00 C ATOM 864 O PRO A 57 1.095 2.725 -11.111 1.00 0.00 O ATOM 865 CB PRO A 57 -0.921 0.179 -11.183 1.00 0.00 C ATOM 866 CG PRO A 57 -2.436 0.242 -11.325 1.00 0.00 C ATOM 867 CD PRO A 57 -2.987 0.910 -10.062 1.00 0.00 C ATOM 0 HA PRO A 57 0.328 0.949 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.436 0.377 -12.139 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.605 -0.814 -10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.715 0.810 -12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.852 -0.758 -11.443 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.660 1.733 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.550 0.207 -9.448 1.00 0.00 H new ATOM 875 N ASP A 58 -1.053 3.398 -11.096 1.00 0.00 N ATOM 876 CA ASP A 58 -0.758 4.672 -11.746 1.00 0.00 C ATOM 877 C ASP A 58 -0.101 5.635 -10.762 1.00 0.00 C ATOM 878 O ASP A 58 0.731 6.460 -11.141 1.00 0.00 O ATOM 879 CB ASP A 58 -2.041 5.309 -12.284 1.00 0.00 C ATOM 880 CG ASP A 58 -3.064 5.420 -11.160 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.882 6.266 -10.301 1.00 0.00 O ATOM 882 OD2 ASP A 58 -4.016 4.657 -11.175 1.00 0.00 O ATOM 0 H ASP A 58 -2.038 3.251 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.075 4.476 -12.573 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.826 6.296 -12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.444 4.708 -13.099 1.00 0.00 H new ATOM 887 N MET A 59 -0.484 5.522 -9.494 1.00 0.00 N ATOM 888 CA MET A 59 0.073 6.389 -8.459 1.00 0.00 C ATOM 889 C MET A 59 1.504 5.977 -8.128 1.00 0.00 C ATOM 890 O MET A 59 2.359 6.816 -7.848 1.00 0.00 O ATOM 891 CB MET A 59 -0.774 6.317 -7.187 1.00 0.00 C ATOM 892 CG MET A 59 -1.872 7.380 -7.243 1.00 0.00 C ATOM 893 SD MET A 59 -2.347 7.848 -5.560 1.00 0.00 S ATOM 894 CE MET A 59 -2.871 6.206 -5.008 1.00 0.00 C ATOM 0 H MET A 59 -1.171 4.846 -9.160 1.00 0.00 H new ATOM 0 HA MET A 59 0.070 7.410 -8.840 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.217 5.326 -7.088 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.146 6.474 -6.310 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.518 8.255 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.737 6.996 -7.783 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.420 6.295 -4.070 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.515 5.756 -5.764 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.994 5.576 -4.857 1.00 0.00 H new ATOM 904 N VAL A 60 1.754 4.671 -8.160 1.00 0.00 N ATOM 905 CA VAL A 60 3.086 4.154 -7.859 1.00 0.00 C ATOM 906 C VAL A 60 3.998 4.302 -9.074 1.00 0.00 C ATOM 907 O VAL A 60 3.896 3.550 -10.042 1.00 0.00 O ATOM 908 CB VAL A 60 3.010 2.677 -7.461 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.387 2.198 -6.990 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.999 2.509 -6.325 1.00 0.00 C ATOM 0 H VAL A 60 1.061 3.958 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 60 3.494 4.729 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 60 2.697 2.086 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.330 1.147 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.110 2.318 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.703 2.788 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.943 1.458 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.315 3.102 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.018 2.847 -6.658 1.00 0.00 H new ATOM 920 N LYS A 61 4.894 5.285 -9.008 1.00 0.00 N ATOM 921 CA LYS A 61 5.825 5.530 -10.105 1.00 0.00 C ATOM 922 C LYS A 61 6.857 4.410 -10.188 1.00 0.00 C ATOM 923 O LYS A 61 7.511 4.075 -9.200 1.00 0.00 O ATOM 924 CB LYS A 61 6.550 6.862 -9.904 1.00 0.00 C ATOM 925 CG LYS A 61 5.620 8.013 -10.293 1.00 0.00 C ATOM 926 CD LYS A 61 6.310 9.347 -10.003 1.00 0.00 C ATOM 927 CE LYS A 61 7.362 9.623 -11.079 1.00 0.00 C ATOM 928 NZ LYS A 61 6.699 10.180 -12.291 1.00 0.00 N ATOM 0 H LYS A 61 4.994 5.918 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 61 5.252 5.565 -11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.860 6.966 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.455 6.891 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.364 7.946 -11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.687 7.945 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.575 10.152 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.779 9.319 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.106 10.325 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.890 8.703 -11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.422 10.462 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.080 9.457 -12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.131 11.010 -12.026 1.00 0.00 H new ATOM 942 N GLY A 62 6.991 3.834 -11.378 1.00 0.00 N ATOM 943 CA GLY A 62 7.945 2.746 -11.583 1.00 0.00 C ATOM 944 C GLY A 62 7.217 1.415 -11.732 1.00 0.00 C ATOM 945 O GLY A 62 7.679 0.512 -12.430 1.00 0.00 O ATOM 0 H GLY A 62 6.459 4.097 -12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.542 2.942 -12.474 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.635 2.697 -10.741 1.00 0.00 H new ATOM 949 N TYR A 63 6.070 1.304 -11.066 1.00 0.00 N ATOM 950 CA TYR A 63 5.278 0.079 -11.128 1.00 0.00 C ATOM 951 C TYR A 63 4.763 -0.147 -12.547 1.00 0.00 C ATOM 952 O TYR A 63 5.162 -1.095 -13.224 1.00 0.00 O ATOM 953 CB TYR A 63 4.091 0.166 -10.164 1.00 0.00 C ATOM 954 CG TYR A 63 3.377 -1.165 -10.111 1.00 0.00 C ATOM 955 CD1 TYR A 63 4.071 -2.328 -9.683 1.00 0.00 C ATOM 956 CD2 TYR A 63 2.011 -1.251 -10.490 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.398 -3.578 -9.634 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.337 -2.501 -10.442 1.00 0.00 C ATOM 959 CZ TYR A 63 2.031 -3.665 -10.013 1.00 0.00 C ATOM 960 OH TYR A 63 1.378 -4.879 -9.967 1.00 0.00 O ATOM 0 H TYR A 63 5.671 2.040 -10.483 1.00 0.00 H new ATOM 0 HA TYR A 63 5.915 -0.757 -10.840 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.438 0.443 -9.169 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.403 0.946 -10.490 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.110 -2.262 -9.395 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.484 -0.366 -10.815 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.925 -4.463 -9.309 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.299 -2.567 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 63 0.449 -4.762 -10.257 1.00 0.00 H new