USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 20 THR OG1 : rot -89:sc= 1.14 USER MOD Set 1.2: A 23 CYS SG : rot 160:sc= -0.0625 USER MOD Set 1.3: A 24 ASN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Single : A 1 MET CE :methyl -105:sc= -3.02! (180deg=-5.18!) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.055 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.678 K(o=-0.68,f=-1.5) USER MOD Single : A 9 SER OG : rot 128:sc= 1.13 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.093) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 25:sc= 0.121 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 35:sc= 0.0111 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.339 USER MOD Single : A 50 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 59 THR OG1 : rot -150:sc= -1.87 USER MOD Single : A 62 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0915 K(o=-0.092,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 162:sc= -0.0597! USER MOD Single : A 75 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.06) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.827 8.121 -6.294 1.00 0.00 N ATOM 2 CA MET A 1 -4.301 6.796 -5.817 1.00 0.00 C ATOM 3 C MET A 1 -4.641 6.834 -4.330 1.00 0.00 C ATOM 4 O MET A 1 -4.691 7.903 -3.723 1.00 0.00 O ATOM 5 CB MET A 1 -3.205 5.762 -6.084 1.00 0.00 C ATOM 6 CG MET A 1 -3.742 4.397 -6.488 1.00 0.00 C ATOM 7 SD MET A 1 -2.953 3.746 -7.973 1.00 0.00 S ATOM 8 CE MET A 1 -3.024 1.987 -7.649 1.00 0.00 C ATOM 0 H1 MET A 1 -4.263 8.335 -7.214 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.094 8.854 -5.606 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.792 8.103 -6.397 1.00 0.00 H new ATOM 0 HA MET A 1 -5.211 6.526 -6.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.550 6.134 -6.872 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.594 5.652 -5.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.594 3.696 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.817 4.470 -6.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.034 1.629 -7.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.725 1.795 -6.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.356 1.465 -8.546 1.00 0.00 H new ATOM 20 N ARG A 2 -4.876 5.661 -3.752 1.00 0.00 N ATOM 21 CA ARG A 2 -5.214 5.559 -2.337 1.00 0.00 C ATOM 22 C ARG A 2 -4.300 4.553 -1.633 1.00 0.00 C ATOM 23 O ARG A 2 -3.188 4.293 -2.090 1.00 0.00 O ATOM 24 CB ARG A 2 -6.682 5.150 -2.176 1.00 0.00 C ATOM 25 CG ARG A 2 -7.630 5.894 -3.108 1.00 0.00 C ATOM 26 CD ARG A 2 -8.494 4.936 -3.917 1.00 0.00 C ATOM 27 NE ARG A 2 -9.920 5.178 -3.710 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.597 6.162 -4.298 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.983 6.998 -5.126 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.893 6.311 -4.056 1.00 0.00 N ATOM 0 H ARG A 2 -4.839 4.767 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.067 6.535 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.774 4.079 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.988 5.326 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.270 6.555 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.054 6.524 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.258 5.041 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.256 3.909 -3.638 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.426 4.557 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.987 6.889 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.507 7.750 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.370 5.672 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.413 7.065 -4.506 1.00 0.00 H new ATOM 44 N ILE A 3 -4.770 3.994 -0.521 1.00 0.00 N ATOM 45 CA ILE A 3 -3.990 3.023 0.238 1.00 0.00 C ATOM 46 C ILE A 3 -4.645 1.644 0.207 1.00 0.00 C ATOM 47 O ILE A 3 -3.973 0.624 0.358 1.00 0.00 O ATOM 48 CB ILE A 3 -3.811 3.470 1.701 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.881 2.501 2.442 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.162 3.594 2.396 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.563 1.253 2.969 1.00 0.00 C ATOM 0 H ILE A 3 -5.688 4.198 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.010 2.962 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.346 4.456 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.077 2.203 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.419 3.028 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.012 3.911 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.773 4.331 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.668 2.629 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.831 0.626 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.348 1.536 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.000 0.699 2.138 1.00 0.00 H new ATOM 63 N ASP A 4 -5.959 1.620 0.014 1.00 0.00 N ATOM 64 CA ASP A 4 -6.698 0.366 -0.028 1.00 0.00 C ATOM 65 C ASP A 4 -6.497 -0.354 -1.359 1.00 0.00 C ATOM 66 O ASP A 4 -6.214 -1.547 -1.387 1.00 0.00 O ATOM 67 CB ASP A 4 -8.188 0.621 0.205 1.00 0.00 C ATOM 68 CG ASP A 4 -8.979 -0.666 0.347 1.00 0.00 C ATOM 69 OD1 ASP A 4 -9.426 -1.205 -0.688 1.00 0.00 O ATOM 70 OD2 ASP A 4 -9.150 -1.133 1.492 1.00 0.00 O ATOM 0 H ASP A 4 -6.532 2.454 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.313 -0.274 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.315 1.223 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.589 1.201 -0.626 1.00 0.00 H new ATOM 75 N LYS A 5 -6.663 0.370 -2.459 1.00 0.00 N ATOM 76 CA LYS A 5 -6.514 -0.212 -3.791 1.00 0.00 C ATOM 77 C LYS A 5 -5.082 -0.100 -4.321 1.00 0.00 C ATOM 78 O LYS A 5 -4.780 -0.599 -5.405 1.00 0.00 O ATOM 79 CB LYS A 5 -7.474 0.470 -4.766 1.00 0.00 C ATOM 80 CG LYS A 5 -8.872 -0.129 -4.766 1.00 0.00 C ATOM 81 CD LYS A 5 -9.930 0.921 -4.462 1.00 0.00 C ATOM 82 CE LYS A 5 -9.924 2.034 -5.498 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.919 1.793 -6.579 1.00 0.00 N ATOM 0 H LYS A 5 -6.901 1.362 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.751 -1.273 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.542 1.529 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.061 0.407 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.075 -0.581 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.927 -0.927 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.913 0.451 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.752 1.342 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.141 2.985 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.928 2.119 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.883 2.574 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.698 0.899 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.872 1.737 -6.167 1.00 0.00 H new ATOM 97 N PHE A 6 -4.208 0.575 -3.579 1.00 0.00 N ATOM 98 CA PHE A 6 -2.828 0.760 -4.021 1.00 0.00 C ATOM 99 C PHE A 6 -1.930 -0.427 -3.675 1.00 0.00 C ATOM 100 O PHE A 6 -1.485 -1.153 -4.563 1.00 0.00 O ATOM 101 CB PHE A 6 -2.249 2.038 -3.415 1.00 0.00 C ATOM 102 CG PHE A 6 -0.870 2.366 -3.912 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.679 2.848 -5.197 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.236 2.193 -3.094 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.589 3.151 -5.657 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.505 2.494 -3.549 1.00 0.00 C ATOM 107 CZ PHE A 6 1.682 2.974 -4.833 1.00 0.00 C ATOM 0 H PHE A 6 -4.427 0.999 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.854 0.839 -5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.915 2.871 -3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.221 1.936 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.530 2.989 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.104 1.819 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.724 3.526 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.358 2.354 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.673 3.210 -5.191 1.00 0.00 H new ATOM 117 N LEU A 7 -1.651 -0.611 -2.388 1.00 0.00 N ATOM 118 CA LEU A 7 -0.782 -1.701 -1.948 1.00 0.00 C ATOM 119 C LEU A 7 -1.479 -3.052 -2.053 1.00 0.00 C ATOM 120 O LEU A 7 -0.839 -4.098 -1.978 1.00 0.00 O ATOM 121 CB LEU A 7 -0.311 -1.462 -0.511 1.00 0.00 C ATOM 122 CG LEU A 7 -1.422 -1.311 0.529 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.939 -2.673 0.962 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.916 -0.526 1.730 1.00 0.00 C ATOM 0 H LEU A 7 -2.011 -0.025 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 7 0.084 -1.719 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.330 -2.292 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.304 -0.562 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.247 -0.761 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.729 -2.544 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.336 -3.203 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.124 -3.250 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.717 -0.426 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.075 -1.053 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.593 0.464 1.408 1.00 0.00 H new ATOM 136 N GLN A 8 -2.792 -3.024 -2.225 1.00 0.00 N ATOM 137 CA GLN A 8 -3.571 -4.245 -2.337 1.00 0.00 C ATOM 138 C GLN A 8 -3.688 -4.697 -3.792 1.00 0.00 C ATOM 139 O GLN A 8 -3.911 -5.876 -4.067 1.00 0.00 O ATOM 140 CB GLN A 8 -4.957 -4.021 -1.743 1.00 0.00 C ATOM 141 CG GLN A 8 -4.925 -3.595 -0.283 1.00 0.00 C ATOM 142 CD GLN A 8 -6.282 -3.706 0.384 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.304 -3.858 -0.285 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.298 -3.630 1.709 1.00 0.00 N ATOM 0 H GLN A 8 -3.340 -2.166 -2.290 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.059 -5.033 -1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.475 -3.259 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.536 -4.940 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.207 -4.212 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.574 -2.565 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.426 -3.504 2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.182 -3.698 2.213 1.00 0.00 H new ATOM 153 N SER A 9 -3.543 -3.754 -4.718 1.00 0.00 N ATOM 154 CA SER A 9 -3.639 -4.061 -6.142 1.00 0.00 C ATOM 155 C SER A 9 -2.257 -4.196 -6.775 1.00 0.00 C ATOM 156 O SER A 9 -2.072 -4.966 -7.719 1.00 0.00 O ATOM 157 CB SER A 9 -4.439 -2.977 -6.863 1.00 0.00 C ATOM 158 OG SER A 9 -5.681 -2.747 -6.221 1.00 0.00 O ATOM 0 H SER A 9 -3.359 -2.773 -4.509 1.00 0.00 H new ATOM 0 HA SER A 9 -4.154 -5.016 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.863 -2.052 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.611 -3.275 -7.897 1.00 0.00 H new ATOM 0 HG SER A 9 -5.780 -1.790 -6.033 1.00 0.00 H new ATOM 164 N VAL A 10 -1.290 -3.444 -6.257 1.00 0.00 N ATOM 165 CA VAL A 10 0.075 -3.481 -6.780 1.00 0.00 C ATOM 166 C VAL A 10 0.581 -4.913 -6.914 1.00 0.00 C ATOM 167 O VAL A 10 1.128 -5.296 -7.948 1.00 0.00 O ATOM 168 CB VAL A 10 1.049 -2.694 -5.883 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.813 -1.197 -6.018 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.921 -3.135 -4.432 1.00 0.00 C ATOM 0 H VAL A 10 -1.425 -2.802 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 10 0.040 -3.015 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 10 2.066 -2.908 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.511 -0.659 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.967 -0.896 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.209 -0.961 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.618 -2.566 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.097 -2.957 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.151 -4.198 -4.353 1.00 0.00 H new ATOM 180 N GLY A 11 0.397 -5.698 -5.860 1.00 0.00 N ATOM 181 CA GLY A 11 0.841 -7.080 -5.874 1.00 0.00 C ATOM 182 C GLY A 11 1.284 -7.555 -4.504 1.00 0.00 C ATOM 183 O GLY A 11 2.295 -8.246 -4.375 1.00 0.00 O ATOM 0 H GLY A 11 -0.053 -5.402 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.032 -7.716 -6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.666 -7.187 -6.578 1.00 0.00 H new ATOM 187 N LEU A 12 0.524 -7.183 -3.480 1.00 0.00 N ATOM 188 CA LEU A 12 0.835 -7.569 -2.111 1.00 0.00 C ATOM 189 C LEU A 12 -0.339 -8.315 -1.489 1.00 0.00 C ATOM 190 O LEU A 12 -0.181 -9.416 -0.961 1.00 0.00 O ATOM 191 CB LEU A 12 1.172 -6.328 -1.282 1.00 0.00 C ATOM 192 CG LEU A 12 2.654 -6.144 -0.958 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.882 -4.822 -0.242 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.163 -7.305 -0.116 1.00 0.00 C ATOM 0 H LEU A 12 -0.316 -6.612 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 12 1.699 -8.233 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.822 -5.446 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.615 -6.374 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 12 3.213 -6.128 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.943 -4.707 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.555 -4.001 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.312 -4.808 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.220 -7.158 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.600 -7.353 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.034 -8.237 -0.666 1.00 0.00 H new ATOM 206 N VAL A 13 -1.518 -7.706 -1.559 1.00 0.00 N ATOM 207 CA VAL A 13 -2.725 -8.309 -1.011 1.00 0.00 C ATOM 208 C VAL A 13 -3.612 -8.860 -2.122 1.00 0.00 C ATOM 209 O VAL A 13 -3.890 -8.172 -3.105 1.00 0.00 O ATOM 210 CB VAL A 13 -3.532 -7.295 -0.178 1.00 0.00 C ATOM 211 CG1 VAL A 13 -4.692 -7.984 0.523 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.632 -6.593 0.829 1.00 0.00 C ATOM 0 H VAL A 13 -1.662 -6.793 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.407 -9.126 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.940 -6.542 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.251 -7.252 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.350 -8.435 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.308 -8.760 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.220 -5.881 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.192 -7.331 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.838 -6.064 0.301 1.00 0.00 H new ATOM 337 N THR A 20 -13.029 -2.919 4.529 1.00 0.00 N ATOM 338 CA THR A 20 -11.678 -2.520 4.911 1.00 0.00 C ATOM 339 C THR A 20 -11.489 -2.616 6.422 1.00 0.00 C ATOM 340 O THR A 20 -12.132 -1.896 7.186 1.00 0.00 O ATOM 341 CB THR A 20 -11.388 -1.095 4.441 1.00 0.00 C ATOM 342 OG1 THR A 20 -10.178 -0.618 5.004 1.00 0.00 O ATOM 343 CG2 THR A 20 -12.480 -0.111 4.798 1.00 0.00 C ATOM 0 HA THR A 20 -10.978 -3.202 4.429 1.00 0.00 H new ATOM 0 HB THR A 20 -11.321 -1.158 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.366 -0.181 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.209 0.880 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.417 -0.424 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.602 -0.080 5.881 1.00 0.00 H new ATOM 351 N ASP A 21 -10.599 -3.508 6.844 1.00 0.00 N ATOM 352 CA ASP A 21 -10.321 -3.697 8.263 1.00 0.00 C ATOM 353 C ASP A 21 -8.947 -3.141 8.627 1.00 0.00 C ATOM 354 O ASP A 21 -8.708 -2.752 9.770 1.00 0.00 O ATOM 355 CB ASP A 21 -10.397 -5.182 8.625 1.00 0.00 C ATOM 356 CG ASP A 21 -11.815 -5.635 8.910 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.745 -5.123 8.251 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.996 -6.502 9.791 1.00 0.00 O ATOM 0 H ASP A 21 -10.058 -4.111 6.224 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.075 -3.153 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.987 -5.774 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.775 -5.372 9.500 1.00 0.00 H new ATOM 363 N MET A 22 -8.047 -3.108 7.647 1.00 0.00 N ATOM 364 CA MET A 22 -6.697 -2.600 7.863 1.00 0.00 C ATOM 365 C MET A 22 -6.731 -1.170 8.398 1.00 0.00 C ATOM 366 O MET A 22 -5.900 -0.784 9.219 1.00 0.00 O ATOM 367 CB MET A 22 -5.897 -2.649 6.561 1.00 0.00 C ATOM 368 CG MET A 22 -5.170 -3.966 6.345 1.00 0.00 C ATOM 369 SD MET A 22 -6.297 -5.363 6.176 1.00 0.00 S ATOM 370 CE MET A 22 -5.140 -6.698 5.883 1.00 0.00 C ATOM 0 H MET A 22 -8.229 -3.427 6.696 1.00 0.00 H new ATOM 0 HA MET A 22 -6.212 -3.235 8.605 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.571 -2.474 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.170 -1.837 6.560 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.552 -3.893 5.450 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.497 -4.147 7.183 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.687 -7.633 5.758 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.565 -6.490 4.980 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.462 -6.785 6.732 1.00 0.00 H new ATOM 380 N CYS A 23 -7.697 -0.389 7.925 1.00 0.00 N ATOM 381 CA CYS A 23 -7.839 0.997 8.355 1.00 0.00 C ATOM 382 C CYS A 23 -8.327 1.077 9.799 1.00 0.00 C ATOM 383 O CYS A 23 -8.049 2.046 10.505 1.00 0.00 O ATOM 384 CB CYS A 23 -8.807 1.742 7.435 1.00 0.00 C ATOM 385 SG CYS A 23 -10.500 1.108 7.477 1.00 0.00 S ATOM 0 H CYS A 23 -8.393 -0.693 7.244 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.858 1.468 8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.818 2.796 7.713 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.435 1.686 6.412 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.315 2.017 7.029 1.00 0.00 H new ATOM 391 N ASN A 24 -9.057 0.053 10.232 1.00 0.00 N ATOM 392 CA ASN A 24 -9.585 0.012 11.591 1.00 0.00 C ATOM 393 C ASN A 24 -8.560 -0.573 12.558 1.00 0.00 C ATOM 394 O ASN A 24 -8.300 -0.007 13.620 1.00 0.00 O ATOM 395 CB ASN A 24 -10.875 -0.810 11.634 1.00 0.00 C ATOM 396 CG ASN A 24 -12.115 0.060 11.635 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.383 0.781 10.673 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.880 -0.001 12.719 1.00 0.00 N ATOM 0 H ASN A 24 -9.296 -0.758 9.662 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.804 1.034 11.900 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.905 -1.479 10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.874 -1.437 12.526 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.728 0.563 12.778 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.620 -0.612 13.493 1.00 0.00 H new ATOM 405 N VAL A 25 -7.981 -1.709 12.185 1.00 0.00 N ATOM 406 CA VAL A 25 -6.986 -2.370 13.022 1.00 0.00 C ATOM 407 C VAL A 25 -5.796 -1.455 13.293 1.00 0.00 C ATOM 408 O VAL A 25 -5.226 -1.468 14.384 1.00 0.00 O ATOM 409 CB VAL A 25 -6.480 -3.673 12.371 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.623 -4.662 12.198 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.811 -3.382 11.036 1.00 0.00 C ATOM 0 H VAL A 25 -8.183 -2.191 11.309 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.477 -2.610 13.965 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.738 -4.121 13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.247 -5.575 11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.052 -4.897 13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.390 -4.223 11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.461 -4.315 10.593 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.528 -2.909 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.964 -2.714 11.192 1.00 0.00 H new ATOM 421 N GLY A 26 -5.426 -0.662 12.293 1.00 0.00 N ATOM 422 CA GLY A 26 -4.307 0.250 12.444 1.00 0.00 C ATOM 423 C GLY A 26 -3.157 -0.083 11.513 1.00 0.00 C ATOM 424 O GLY A 26 -1.999 0.208 11.817 1.00 0.00 O ATOM 0 H GLY A 26 -5.881 -0.634 11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.644 1.268 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.955 0.221 13.475 1.00 0.00 H new ATOM 428 N ALA A 27 -3.475 -0.691 10.375 1.00 0.00 N ATOM 429 CA ALA A 27 -2.460 -1.061 9.396 1.00 0.00 C ATOM 430 C ALA A 27 -2.211 0.075 8.409 1.00 0.00 C ATOM 431 O ALA A 27 -1.105 0.232 7.893 1.00 0.00 O ATOM 432 CB ALA A 27 -2.877 -2.325 8.658 1.00 0.00 C ATOM 0 H ALA A 27 -4.428 -0.938 10.108 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.528 -1.255 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.111 -2.591 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.998 -3.140 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.822 -2.151 8.143 1.00 0.00 H new ATOM 438 N VAL A 28 -3.248 0.867 8.153 1.00 0.00 N ATOM 439 CA VAL A 28 -3.144 1.989 7.230 1.00 0.00 C ATOM 440 C VAL A 28 -2.433 3.170 7.878 1.00 0.00 C ATOM 441 O VAL A 28 -2.891 3.709 8.885 1.00 0.00 O ATOM 442 CB VAL A 28 -4.531 2.445 6.744 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.397 3.510 5.667 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.337 1.260 6.236 1.00 0.00 C ATOM 0 H VAL A 28 -4.170 0.751 8.573 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.562 1.643 6.376 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.065 2.881 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.388 3.820 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.864 4.371 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.842 3.104 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.314 1.603 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.809 0.790 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.466 0.536 7.040 1.00 0.00 H new ATOM 454 N TRP A 29 -1.311 3.571 7.292 1.00 0.00 N ATOM 455 CA TRP A 29 -0.533 4.691 7.808 1.00 0.00 C ATOM 456 C TRP A 29 0.119 5.467 6.670 1.00 0.00 C ATOM 457 O TRP A 29 1.022 4.965 6.000 1.00 0.00 O ATOM 458 CB TRP A 29 0.536 4.192 8.781 1.00 0.00 C ATOM 459 CG TRP A 29 0.039 4.028 10.184 1.00 0.00 C ATOM 460 CD1 TRP A 29 -0.884 3.124 10.625 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.437 4.787 11.331 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.085 3.276 11.976 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.285 4.290 12.432 1.00 0.00 C ATOM 464 CE3 TRP A 29 1.335 5.839 11.534 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.136 4.808 13.716 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.481 6.353 12.810 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.749 5.837 13.886 1.00 0.00 C ATOM 0 H TRP A 29 -0.919 3.136 6.457 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.211 5.360 8.339 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.920 3.236 8.426 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.372 4.892 8.780 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.383 2.396 10.003 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -1.726 2.724 12.546 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.904 6.243 10.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.699 4.411 14.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.171 7.166 12.979 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.886 6.260 14.870 1.00 0.00 H new ATOM 478 N LEU A 30 -0.347 6.691 6.453 1.00 0.00 N ATOM 479 CA LEU A 30 0.188 7.537 5.392 1.00 0.00 C ATOM 480 C LEU A 30 1.095 8.623 5.963 1.00 0.00 C ATOM 481 O LEU A 30 0.705 9.359 6.869 1.00 0.00 O ATOM 482 CB LEU A 30 -0.954 8.171 4.593 1.00 0.00 C ATOM 483 CG LEU A 30 -1.119 7.642 3.167 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.890 6.331 3.170 1.00 0.00 C ATOM 485 CD2 LEU A 30 -1.819 8.673 2.296 1.00 0.00 C ATOM 0 H LEU A 30 -1.095 7.121 6.998 1.00 0.00 H new ATOM 0 HA LEU A 30 0.783 6.911 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.887 8.012 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.791 9.248 4.548 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.129 7.455 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.998 5.970 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.349 5.592 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.877 6.490 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.928 8.281 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.804 8.890 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.227 9.588 2.268 1.00 0.00 H new ATOM 497 N ASN A 31 2.307 8.719 5.424 1.00 0.00 N ATOM 498 CA ASN A 31 3.271 9.717 5.875 1.00 0.00 C ATOM 499 C ASN A 31 3.545 9.573 7.370 1.00 0.00 C ATOM 500 O ASN A 31 3.727 10.566 8.076 1.00 0.00 O ATOM 501 CB ASN A 31 2.757 11.126 5.567 1.00 0.00 C ATOM 502 CG ASN A 31 3.731 11.926 4.725 1.00 0.00 C ATOM 503 OD1 ASN A 31 3.332 12.642 3.806 1.00 0.00 O ATOM 504 ND2 ASN A 31 5.017 11.807 5.033 1.00 0.00 N ATOM 0 H ASN A 31 2.645 8.117 4.673 1.00 0.00 H new ATOM 0 HA ASN A 31 4.206 9.555 5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.803 11.055 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.571 11.654 6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.719 12.320 4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.303 11.202 5.803 1.00 0.00 H new ATOM 511 N GLY A 32 3.574 8.334 7.846 1.00 0.00 N ATOM 512 CA GLY A 32 3.826 8.084 9.253 1.00 0.00 C ATOM 513 C GLY A 32 2.682 8.541 10.135 1.00 0.00 C ATOM 514 O GLY A 32 2.891 8.928 11.285 1.00 0.00 O ATOM 0 H GLY A 32 3.427 7.497 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.995 7.018 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.740 8.598 9.553 1.00 0.00 H new ATOM 518 N SER A 33 1.469 8.497 9.596 1.00 0.00 N ATOM 519 CA SER A 33 0.285 8.909 10.340 1.00 0.00 C ATOM 520 C SER A 33 -0.888 7.976 10.057 1.00 0.00 C ATOM 521 O SER A 33 -1.054 7.494 8.937 1.00 0.00 O ATOM 522 CB SER A 33 -0.092 10.348 9.981 1.00 0.00 C ATOM 523 OG SER A 33 -0.437 11.090 11.139 1.00 0.00 O ATOM 0 H SER A 33 1.280 8.180 8.645 1.00 0.00 H new ATOM 0 HA SER A 33 0.517 8.856 11.404 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.743 10.830 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.930 10.344 9.285 1.00 0.00 H new ATOM 0 HG SER A 33 -0.672 12.006 10.882 1.00 0.00 H new ATOM 529 N CYS A 34 -1.699 7.727 11.081 1.00 0.00 N ATOM 530 CA CYS A 34 -2.857 6.850 10.942 1.00 0.00 C ATOM 531 C CYS A 34 -3.800 7.360 9.857 1.00 0.00 C ATOM 532 O CYS A 34 -4.286 8.490 9.923 1.00 0.00 O ATOM 533 CB CYS A 34 -3.604 6.743 12.272 1.00 0.00 C ATOM 534 SG CYS A 34 -4.185 8.326 12.923 1.00 0.00 S ATOM 0 H CYS A 34 -1.576 8.119 12.014 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.499 5.862 10.652 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.459 6.080 12.143 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.948 6.279 13.008 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.328 9.171 11.945 1.00 0.00 H new ATOM 540 N ALA A 35 -4.055 6.520 8.860 1.00 0.00 N ATOM 541 CA ALA A 35 -4.940 6.886 7.760 1.00 0.00 C ATOM 542 C ALA A 35 -6.140 5.948 7.685 1.00 0.00 C ATOM 543 O ALA A 35 -6.093 4.822 8.181 1.00 0.00 O ATOM 544 CB ALA A 35 -4.175 6.874 6.444 1.00 0.00 C ATOM 0 H ALA A 35 -3.662 5.581 8.791 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.312 7.894 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.846 7.149 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.354 7.589 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.776 5.876 6.264 1.00 0.00 H new ATOM 550 N LYS A 36 -7.214 6.421 7.062 1.00 0.00 N ATOM 551 CA LYS A 36 -8.428 5.626 6.920 1.00 0.00 C ATOM 552 C LYS A 36 -8.414 4.845 5.610 1.00 0.00 C ATOM 553 O LYS A 36 -7.368 4.690 4.980 1.00 0.00 O ATOM 554 CB LYS A 36 -9.662 6.531 6.983 1.00 0.00 C ATOM 555 CG LYS A 36 -10.754 6.006 7.902 1.00 0.00 C ATOM 556 CD LYS A 36 -11.426 7.134 8.669 1.00 0.00 C ATOM 557 CE LYS A 36 -11.678 6.748 10.118 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.663 7.654 10.771 1.00 0.00 N ATOM 0 H LYS A 36 -7.268 7.351 6.647 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.469 4.913 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.359 7.522 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.069 6.648 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.499 5.470 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.327 5.291 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.799 8.025 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.371 7.389 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.044 5.722 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.738 6.775 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.807 7.357 11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.303 8.630 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.568 7.609 10.260 1.00 0.00 H new ATOM 572 N ALA A 37 -9.581 4.355 5.202 1.00 0.00 N ATOM 573 CA ALA A 37 -9.699 3.592 3.966 1.00 0.00 C ATOM 574 C ALA A 37 -10.112 4.487 2.800 1.00 0.00 C ATOM 575 O ALA A 37 -10.727 4.026 1.839 1.00 0.00 O ATOM 576 CB ALA A 37 -10.699 2.460 4.143 1.00 0.00 C ATOM 0 H ALA A 37 -10.458 4.473 5.710 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.721 3.170 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.779 1.897 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.362 1.798 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.674 2.873 4.402 1.00 0.00 H new ATOM 582 N SER A 38 -9.766 5.767 2.889 1.00 0.00 N ATOM 583 CA SER A 38 -10.097 6.725 1.840 1.00 0.00 C ATOM 584 C SER A 38 -9.068 7.849 1.786 1.00 0.00 C ATOM 585 O SER A 38 -9.379 8.970 1.383 1.00 0.00 O ATOM 586 CB SER A 38 -11.493 7.306 2.073 1.00 0.00 C ATOM 587 OG SER A 38 -12.459 6.652 1.270 1.00 0.00 O ATOM 0 H SER A 38 -9.256 6.165 3.677 1.00 0.00 H new ATOM 0 HA SER A 38 -10.085 6.199 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.761 7.205 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.489 8.372 1.846 1.00 0.00 H new ATOM 0 HG SER A 38 -12.219 5.707 1.174 1.00 0.00 H new ATOM 593 N LYS A 39 -7.840 7.543 2.195 1.00 0.00 N ATOM 594 CA LYS A 39 -6.766 8.528 2.192 1.00 0.00 C ATOM 595 C LYS A 39 -5.945 8.432 0.910 1.00 0.00 C ATOM 596 O LYS A 39 -5.121 7.531 0.756 1.00 0.00 O ATOM 597 CB LYS A 39 -5.861 8.331 3.408 1.00 0.00 C ATOM 598 CG LYS A 39 -6.440 8.898 4.695 1.00 0.00 C ATOM 599 CD LYS A 39 -6.530 10.415 4.645 1.00 0.00 C ATOM 600 CE LYS A 39 -7.910 10.906 5.054 1.00 0.00 C ATOM 601 NZ LYS A 39 -7.841 12.185 5.814 1.00 0.00 N ATOM 0 H LYS A 39 -7.565 6.621 2.532 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.216 9.520 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.673 7.266 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.898 8.803 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.432 8.479 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.819 8.597 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.779 10.847 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.304 10.761 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.524 11.045 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.399 10.147 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.802 12.486 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.276 12.047 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.397 12.917 5.223 1.00 0.00 H new ATOM 615 N GLU A 40 -6.174 9.367 -0.006 1.00 0.00 N ATOM 616 CA GLU A 40 -5.457 9.387 -1.275 1.00 0.00 C ATOM 617 C GLU A 40 -3.952 9.499 -1.048 1.00 0.00 C ATOM 618 O GLU A 40 -3.493 10.313 -0.247 1.00 0.00 O ATOM 619 CB GLU A 40 -5.942 10.550 -2.141 1.00 0.00 C ATOM 620 CG GLU A 40 -5.835 11.904 -1.457 1.00 0.00 C ATOM 621 CD GLU A 40 -4.492 12.570 -1.689 1.00 0.00 C ATOM 622 OE1 GLU A 40 -4.013 12.553 -2.843 1.00 0.00 O ATOM 623 OE2 GLU A 40 -3.920 13.107 -0.718 1.00 0.00 O ATOM 0 H GLU A 40 -6.851 10.121 0.107 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.659 8.449 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.362 10.572 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.981 10.375 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.628 12.556 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.995 11.780 -0.386 1.00 0.00 H new ATOM 630 N VAL A 41 -3.189 8.675 -1.760 1.00 0.00 N ATOM 631 CA VAL A 41 -1.737 8.682 -1.636 1.00 0.00 C ATOM 632 C VAL A 41 -1.090 9.406 -2.813 1.00 0.00 C ATOM 633 O VAL A 41 -1.758 9.744 -3.789 1.00 0.00 O ATOM 634 CB VAL A 41 -1.173 7.251 -1.556 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.643 6.562 -0.284 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.574 6.449 -2.785 1.00 0.00 C ATOM 0 H VAL A 41 -3.553 7.995 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.500 9.210 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.085 7.310 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.235 5.552 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.300 7.126 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.732 6.513 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.166 5.441 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.661 6.397 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.182 6.934 -3.679 1.00 0.00 H new ATOM 646 N LYS A 42 0.215 9.639 -2.712 1.00 0.00 N ATOM 647 CA LYS A 42 0.951 10.324 -3.768 1.00 0.00 C ATOM 648 C LYS A 42 2.326 9.694 -3.966 1.00 0.00 C ATOM 649 O LYS A 42 2.768 8.877 -3.158 1.00 0.00 O ATOM 650 CB LYS A 42 1.101 11.809 -3.436 1.00 0.00 C ATOM 651 CG LYS A 42 -0.115 12.642 -3.810 1.00 0.00 C ATOM 652 CD LYS A 42 0.062 13.314 -5.162 1.00 0.00 C ATOM 653 CE LYS A 42 -0.664 12.555 -6.261 1.00 0.00 C ATOM 654 NZ LYS A 42 -1.274 13.474 -7.261 1.00 0.00 N ATOM 0 H LYS A 42 0.783 9.364 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 42 0.386 10.223 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.290 11.917 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.975 12.203 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.000 12.006 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.287 13.400 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.315 14.336 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.123 13.377 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.035 11.885 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.441 11.932 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.759 12.917 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.960 14.096 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.529 14.051 -7.702 1.00 0.00 H new ATOM 668 N ALA A 43 2.998 10.079 -5.046 1.00 0.00 N ATOM 669 CA ALA A 43 4.323 9.553 -5.349 1.00 0.00 C ATOM 670 C ALA A 43 5.352 10.036 -4.334 1.00 0.00 C ATOM 671 O ALA A 43 5.248 11.145 -3.809 1.00 0.00 O ATOM 672 CB ALA A 43 4.738 9.950 -6.757 1.00 0.00 C ATOM 0 H ALA A 43 2.646 10.753 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 43 4.278 8.466 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.730 9.551 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.023 9.548 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.760 11.037 -6.837 1.00 0.00 H new ATOM 678 N GLY A 44 6.346 9.198 -4.061 1.00 0.00 N ATOM 679 CA GLY A 44 7.381 9.557 -3.110 1.00 0.00 C ATOM 680 C GLY A 44 6.849 9.676 -1.695 1.00 0.00 C ATOM 681 O GLY A 44 7.350 10.474 -0.902 1.00 0.00 O ATOM 0 H GLY A 44 6.453 8.275 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.171 8.807 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.831 10.504 -3.407 1.00 0.00 H new ATOM 685 N ASP A 45 5.834 8.880 -1.378 1.00 0.00 N ATOM 686 CA ASP A 45 5.233 8.899 -0.049 1.00 0.00 C ATOM 687 C ASP A 45 5.580 7.628 0.721 1.00 0.00 C ATOM 688 O ASP A 45 6.094 6.667 0.152 1.00 0.00 O ATOM 689 CB ASP A 45 3.714 9.045 -0.155 1.00 0.00 C ATOM 690 CG ASP A 45 3.096 9.590 1.118 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.638 10.568 1.671 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.067 9.036 1.562 1.00 0.00 O ATOM 0 H ASP A 45 5.410 8.213 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 45 5.636 9.754 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.472 9.708 -0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.273 8.074 -0.383 1.00 0.00 H new ATOM 697 N THR A 46 5.296 7.633 2.020 1.00 0.00 N ATOM 698 CA THR A 46 5.578 6.481 2.866 1.00 0.00 C ATOM 699 C THR A 46 4.311 5.674 3.129 1.00 0.00 C ATOM 700 O THR A 46 3.255 6.235 3.423 1.00 0.00 O ATOM 701 CB THR A 46 6.192 6.933 4.192 1.00 0.00 C ATOM 702 OG1 THR A 46 7.371 7.687 3.967 1.00 0.00 O ATOM 703 CG2 THR A 46 6.550 5.784 5.109 1.00 0.00 C ATOM 0 H THR A 46 4.871 8.422 2.508 1.00 0.00 H new ATOM 0 HA THR A 46 6.290 5.844 2.342 1.00 0.00 H new ATOM 0 HB THR A 46 5.423 7.536 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.748 7.969 4.827 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.980 6.175 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.652 5.211 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.275 5.137 4.616 1.00 0.00 H new ATOM 711 N ILE A 47 4.425 4.354 3.023 1.00 0.00 N ATOM 712 CA ILE A 47 3.291 3.467 3.250 1.00 0.00 C ATOM 713 C ILE A 47 3.601 2.461 4.353 1.00 0.00 C ATOM 714 O ILE A 47 4.281 1.461 4.121 1.00 0.00 O ATOM 715 CB ILE A 47 2.909 2.706 1.966 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.755 3.681 0.797 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.625 1.917 2.178 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.660 4.704 1.003 1.00 0.00 C ATOM 0 H ILE A 47 5.292 3.875 2.781 1.00 0.00 H new ATOM 0 HA ILE A 47 2.451 4.091 3.554 1.00 0.00 H new ATOM 0 HB ILE A 47 3.707 2.004 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.701 4.200 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.547 3.116 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.369 1.385 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.768 1.199 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.817 2.600 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.608 5.361 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.705 4.194 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.877 5.295 1.893 1.00 0.00 H new ATOM 730 N SER A 48 3.097 2.730 5.553 1.00 0.00 N ATOM 731 CA SER A 48 3.323 1.847 6.691 1.00 0.00 C ATOM 732 C SER A 48 2.260 0.755 6.750 1.00 0.00 C ATOM 733 O SER A 48 1.170 0.904 6.198 1.00 0.00 O ATOM 734 CB SER A 48 3.331 2.655 7.993 1.00 0.00 C ATOM 735 OG SER A 48 2.779 1.914 9.068 1.00 0.00 O ATOM 0 H SER A 48 2.530 3.552 5.762 1.00 0.00 H new ATOM 0 HA SER A 48 4.295 1.369 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.353 2.945 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.763 3.575 7.855 1.00 0.00 H new ATOM 0 HG SER A 48 2.800 2.456 9.884 1.00 0.00 H new ATOM 741 N LEU A 49 2.587 -0.345 7.420 1.00 0.00 N ATOM 742 CA LEU A 49 1.664 -1.466 7.549 1.00 0.00 C ATOM 743 C LEU A 49 1.802 -2.131 8.913 1.00 0.00 C ATOM 744 O LEU A 49 2.894 -2.189 9.481 1.00 0.00 O ATOM 745 CB LEU A 49 1.919 -2.489 6.441 1.00 0.00 C ATOM 746 CG LEU A 49 1.304 -2.140 5.085 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.260 -1.281 4.272 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.944 -3.406 4.323 1.00 0.00 C ATOM 0 H LEU A 49 3.485 -0.484 7.882 1.00 0.00 H new ATOM 0 HA LEU A 49 0.648 -1.082 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.995 -2.606 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.529 -3.455 6.762 1.00 0.00 H new ATOM 0 HG LEU A 49 0.391 -1.570 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.806 -1.042 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.470 -0.358 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.190 -1.826 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.508 -3.140 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.843 -4.002 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.223 -3.986 4.900 1.00 0.00 H new ATOM 760 N HIS A 50 0.689 -2.635 9.437 1.00 0.00 N ATOM 761 CA HIS A 50 0.687 -3.297 10.737 1.00 0.00 C ATOM 762 C HIS A 50 0.752 -4.813 10.577 1.00 0.00 C ATOM 763 O HIS A 50 -0.108 -5.418 9.939 1.00 0.00 O ATOM 764 CB HIS A 50 -0.563 -2.909 11.529 1.00 0.00 C ATOM 765 CG HIS A 50 -0.596 -3.482 12.912 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.517 -3.998 13.542 1.00 0.00 N ATOM 767 CD2 HIS A 50 -1.619 -3.619 13.790 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.182 -4.427 14.745 1.00 0.00 C ATOM 769 NE2 HIS A 50 -1.108 -4.208 14.920 1.00 0.00 N ATOM 0 H HIS A 50 -0.223 -2.598 8.981 1.00 0.00 H new ATOM 0 HA HIS A 50 1.571 -2.970 11.284 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.620 -1.822 11.593 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.446 -3.243 10.985 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.645 -3.321 13.631 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.849 -4.880 15.463 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.639 -4.439 15.759 1.00 0.00 H new ATOM 778 N TYR A 51 1.779 -5.418 11.164 1.00 0.00 N ATOM 779 CA TYR A 51 1.959 -6.864 11.089 1.00 0.00 C ATOM 780 C TYR A 51 2.212 -7.452 12.473 1.00 0.00 C ATOM 781 O TYR A 51 2.266 -6.728 13.466 1.00 0.00 O ATOM 782 CB TYR A 51 3.121 -7.207 10.156 1.00 0.00 C ATOM 783 CG TYR A 51 2.728 -7.276 8.698 1.00 0.00 C ATOM 784 CD1 TYR A 51 2.254 -6.152 8.034 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.829 -8.465 7.987 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.891 -6.211 6.702 1.00 0.00 C ATOM 787 CE2 TYR A 51 2.468 -8.532 6.655 1.00 0.00 C ATOM 788 CZ TYR A 51 2.000 -7.402 6.017 1.00 0.00 C ATOM 789 OH TYR A 51 1.639 -7.465 4.690 1.00 0.00 O ATOM 0 H TYR A 51 2.499 -4.930 11.697 1.00 0.00 H new ATOM 0 HA TYR A 51 1.043 -7.299 10.691 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.905 -6.460 10.277 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.545 -8.166 10.455 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.168 -5.217 8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.196 -9.351 8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.524 -5.328 6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.552 -9.464 6.116 1.00 0.00 H new ATOM 0 HH TYR A 51 1.778 -8.376 4.356 1.00 0.00 H new ATOM 799 N LEU A 52 2.369 -8.770 12.529 1.00 0.00 N ATOM 800 CA LEU A 52 2.619 -9.458 13.789 1.00 0.00 C ATOM 801 C LEU A 52 4.101 -9.418 14.141 1.00 0.00 C ATOM 802 O LEU A 52 4.471 -9.216 15.298 1.00 0.00 O ATOM 803 CB LEU A 52 2.140 -10.908 13.709 1.00 0.00 C ATOM 804 CG LEU A 52 0.808 -11.111 12.982 1.00 0.00 C ATOM 805 CD1 LEU A 52 0.781 -12.463 12.286 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.353 -10.988 13.957 1.00 0.00 C ATOM 0 H LEU A 52 2.327 -9.383 11.715 1.00 0.00 H new ATOM 0 HA LEU A 52 2.062 -8.944 14.572 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.905 -11.500 13.206 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.047 -11.300 14.722 1.00 0.00 H new ATOM 0 HG LEU A 52 0.706 -10.334 12.225 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.173 -12.590 11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.592 -12.514 11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.905 -13.255 13.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.293 -11.135 13.424 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.256 -11.744 14.736 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.344 -9.997 14.410 1.00 0.00 H new ATOM 818 N LYS A 53 4.945 -9.608 13.133 1.00 0.00 N ATOM 819 CA LYS A 53 6.390 -9.591 13.332 1.00 0.00 C ATOM 820 C LYS A 53 6.904 -8.161 13.464 1.00 0.00 C ATOM 821 O LYS A 53 7.917 -7.913 14.117 1.00 0.00 O ATOM 822 CB LYS A 53 7.095 -10.294 12.170 1.00 0.00 C ATOM 823 CG LYS A 53 6.861 -9.626 10.824 1.00 0.00 C ATOM 824 CD LYS A 53 7.405 -10.470 9.681 1.00 0.00 C ATOM 825 CE LYS A 53 8.658 -9.854 9.080 1.00 0.00 C ATOM 826 NZ LYS A 53 8.797 -10.179 7.634 1.00 0.00 N ATOM 0 H LYS A 53 4.654 -9.776 12.170 1.00 0.00 H new ATOM 0 HA LYS A 53 6.610 -10.124 14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.166 -10.324 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.751 -11.327 12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.793 -9.460 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.340 -8.647 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.629 -11.473 10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.643 -10.573 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.628 -8.772 9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.534 -10.214 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.663 -9.741 7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.851 -11.211 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.973 -9.813 7.115 1.00 0.00 H new ATOM 840 N GLY A 54 6.198 -7.223 12.840 1.00 0.00 N ATOM 841 CA GLY A 54 6.598 -5.829 12.901 1.00 0.00 C ATOM 842 C GLY A 54 6.218 -5.059 11.652 1.00 0.00 C ATOM 843 O GLY A 54 5.955 -5.651 10.606 1.00 0.00 O ATOM 0 H GLY A 54 5.356 -7.404 12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.134 -5.359 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.677 -5.770 13.046 1.00 0.00 H new ATOM 847 N ILE A 55 6.187 -3.735 11.765 1.00 0.00 N ATOM 848 CA ILE A 55 5.836 -2.879 10.638 1.00 0.00 C ATOM 849 C ILE A 55 6.868 -2.993 9.519 1.00 0.00 C ATOM 850 O ILE A 55 8.062 -3.146 9.777 1.00 0.00 O ATOM 851 CB ILE A 55 5.718 -1.403 11.070 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.750 -1.271 12.247 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.264 -0.538 9.902 1.00 0.00 C ATOM 854 CD1 ILE A 55 5.436 -1.247 13.596 1.00 0.00 C ATOM 0 H ILE A 55 6.401 -3.232 12.626 1.00 0.00 H new ATOM 0 HA ILE A 55 4.868 -3.219 10.269 1.00 0.00 H new ATOM 0 HB ILE A 55 6.700 -1.055 11.389 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.169 -0.357 12.128 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.045 -2.102 12.222 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.187 0.500 10.226 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.989 -0.612 9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.291 -0.882 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.688 -1.152 14.383 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.995 -2.172 13.737 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.120 -0.400 13.641 1.00 0.00 H new ATOM 866 N GLU A 56 6.399 -2.918 8.278 1.00 0.00 N ATOM 867 CA GLU A 56 7.282 -3.014 7.121 1.00 0.00 C ATOM 868 C GLU A 56 7.759 -1.632 6.682 1.00 0.00 C ATOM 869 O GLU A 56 8.941 -1.436 6.395 1.00 0.00 O ATOM 870 CB GLU A 56 6.566 -3.710 5.962 1.00 0.00 C ATOM 871 CG GLU A 56 6.645 -5.227 6.022 1.00 0.00 C ATOM 872 CD GLU A 56 8.029 -5.752 5.694 1.00 0.00 C ATOM 873 OE1 GLU A 56 8.653 -5.230 4.745 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.488 -6.686 6.385 1.00 0.00 O ATOM 0 H GLU A 56 5.414 -2.791 8.048 1.00 0.00 H new ATOM 0 HA GLU A 56 8.152 -3.604 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.518 -3.409 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.998 -3.369 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.360 -5.563 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.924 -5.653 5.324 1.00 0.00 H new ATOM 881 N GLU A 57 6.835 -0.678 6.632 1.00 0.00 N ATOM 882 CA GLU A 57 7.164 0.684 6.228 1.00 0.00 C ATOM 883 C GLU A 57 7.703 0.714 4.802 1.00 0.00 C ATOM 884 O GLU A 57 8.886 0.467 4.570 1.00 0.00 O ATOM 885 CB GLU A 57 8.188 1.289 7.188 1.00 0.00 C ATOM 886 CG GLU A 57 8.353 2.792 7.034 1.00 0.00 C ATOM 887 CD GLU A 57 9.203 3.400 8.133 1.00 0.00 C ATOM 888 OE1 GLU A 57 10.036 2.671 8.711 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.036 4.606 8.415 1.00 0.00 O ATOM 0 H GLU A 57 5.853 -0.823 6.866 1.00 0.00 H new ATOM 0 HA GLU A 57 6.251 1.278 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.888 1.068 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.153 0.808 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.808 3.007 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.370 3.264 7.036 1.00 0.00 H new ATOM 896 N TYR A 58 6.828 1.020 3.850 1.00 0.00 N ATOM 897 CA TYR A 58 7.215 1.085 2.446 1.00 0.00 C ATOM 898 C TYR A 58 7.269 2.528 1.960 1.00 0.00 C ATOM 899 O TYR A 58 7.007 3.461 2.719 1.00 0.00 O ATOM 900 CB TYR A 58 6.237 0.284 1.584 1.00 0.00 C ATOM 901 CG TYR A 58 6.111 -1.166 1.997 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.289 -1.541 3.051 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.816 -2.160 1.329 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.171 -2.865 3.429 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.704 -3.485 1.701 1.00 0.00 C ATOM 906 CZ TYR A 58 5.881 -3.833 2.751 1.00 0.00 C ATOM 907 OH TYR A 58 5.768 -5.153 3.125 1.00 0.00 O ATOM 0 H TYR A 58 5.845 1.227 4.026 1.00 0.00 H new ATOM 0 HA TYR A 58 8.211 0.651 2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.254 0.753 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.561 0.330 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.732 -0.785 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.462 -1.892 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.526 -3.140 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.259 -4.246 1.172 1.00 0.00 H new ATOM 0 HH TYR A 58 6.332 -5.707 2.546 1.00 0.00 H new ATOM 917 N THR A 59 7.609 2.704 0.688 1.00 0.00 N ATOM 918 CA THR A 59 7.699 4.033 0.095 1.00 0.00 C ATOM 919 C THR A 59 7.257 4.007 -1.364 1.00 0.00 C ATOM 920 O THR A 59 7.783 3.237 -2.168 1.00 0.00 O ATOM 921 CB THR A 59 9.129 4.564 0.200 1.00 0.00 C ATOM 922 OG1 THR A 59 9.546 4.621 1.552 1.00 0.00 O ATOM 923 CG2 THR A 59 9.301 5.947 -0.391 1.00 0.00 C ATOM 0 H THR A 59 7.827 1.941 0.047 1.00 0.00 H new ATOM 0 HA THR A 59 7.032 4.697 0.645 1.00 0.00 H new ATOM 0 HB THR A 59 9.738 3.864 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.192 5.349 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.339 6.262 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.036 5.926 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.652 6.649 0.132 1.00 0.00 H new ATOM 931 N ILE A 60 6.289 4.855 -1.700 1.00 0.00 N ATOM 932 CA ILE A 60 5.780 4.928 -3.063 1.00 0.00 C ATOM 933 C ILE A 60 6.774 5.629 -3.983 1.00 0.00 C ATOM 934 O ILE A 60 7.164 6.769 -3.736 1.00 0.00 O ATOM 935 CB ILE A 60 4.431 5.668 -3.121 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.472 5.111 -2.067 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.823 5.553 -4.512 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.145 5.834 -2.013 1.00 0.00 C ATOM 0 H ILE A 60 5.843 5.500 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 60 5.636 3.902 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 60 4.603 6.723 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.293 4.056 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.948 5.169 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.870 6.081 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.501 5.993 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.662 4.502 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.517 5.385 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.313 6.885 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.648 5.754 -2.980 1.00 0.00 H new ATOM 950 N LEU A 61 7.179 4.939 -5.044 1.00 0.00 N ATOM 951 CA LEU A 61 8.129 5.494 -6.000 1.00 0.00 C ATOM 952 C LEU A 61 7.418 6.343 -7.053 1.00 0.00 C ATOM 953 O LEU A 61 8.026 7.217 -7.669 1.00 0.00 O ATOM 954 CB LEU A 61 8.913 4.370 -6.682 1.00 0.00 C ATOM 955 CG LEU A 61 9.821 3.562 -5.754 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.591 2.514 -6.541 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.777 4.483 -5.009 1.00 0.00 C ATOM 0 H LEU A 61 6.864 3.994 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 61 8.821 6.134 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.206 3.690 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.522 4.802 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 61 9.197 3.050 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.232 1.949 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.890 1.836 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.205 3.005 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.416 3.891 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.395 5.023 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.206 5.195 -4.413 1.00 0.00 H new ATOM 969 N GLN A 62 6.131 6.080 -7.254 1.00 0.00 N ATOM 970 CA GLN A 62 5.346 6.822 -8.234 1.00 0.00 C ATOM 971 C GLN A 62 3.887 6.373 -8.219 1.00 0.00 C ATOM 972 O GLN A 62 3.529 5.413 -7.536 1.00 0.00 O ATOM 973 CB GLN A 62 5.936 6.639 -9.636 1.00 0.00 C ATOM 974 CG GLN A 62 6.278 7.951 -10.325 1.00 0.00 C ATOM 975 CD GLN A 62 5.621 8.085 -11.686 1.00 0.00 C ATOM 976 OE1 GLN A 62 5.173 7.100 -12.272 1.00 0.00 O ATOM 977 NE2 GLN A 62 5.559 9.311 -12.194 1.00 0.00 N ATOM 0 H GLN A 62 5.610 5.360 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 62 5.383 7.878 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.836 6.029 -9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.225 6.089 -10.252 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.966 8.782 -9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.359 8.026 -10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.944 10.099 -11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.127 9.464 -13.105 1.00 0.00 H new ATOM 986 N ILE A 63 3.051 7.074 -8.978 1.00 0.00 N ATOM 987 CA ILE A 63 1.632 6.751 -9.054 1.00 0.00 C ATOM 988 C ILE A 63 1.192 6.545 -10.502 1.00 0.00 C ATOM 989 O ILE A 63 0.924 7.510 -11.218 1.00 0.00 O ATOM 990 CB ILE A 63 0.771 7.861 -8.424 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.310 8.234 -7.042 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.681 7.418 -8.330 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.268 7.093 -6.048 1.00 0.00 C ATOM 0 H ILE A 63 3.333 7.870 -9.550 1.00 0.00 H new ATOM 0 HA ILE A 63 1.487 5.826 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 63 0.820 8.743 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.339 8.579 -7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.731 9.069 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.276 8.214 -7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.060 7.199 -9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.749 6.523 -7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.665 7.430 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.238 6.762 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.871 6.264 -6.420 1.00 0.00 H new ATOM 1005 N PRO A 64 1.111 5.281 -10.956 1.00 0.00 N ATOM 1006 CA PRO A 64 0.700 4.964 -12.329 1.00 0.00 C ATOM 1007 C PRO A 64 -0.750 5.349 -12.608 1.00 0.00 C ATOM 1008 O PRO A 64 -1.180 5.387 -13.761 1.00 0.00 O ATOM 1009 CB PRO A 64 0.880 3.446 -12.420 1.00 0.00 C ATOM 1010 CG PRO A 64 0.824 2.966 -11.012 1.00 0.00 C ATOM 1011 CD PRO A 64 1.410 4.067 -10.175 1.00 0.00 C ATOM 0 HA PRO A 64 1.285 5.518 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.095 2.991 -13.024 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.831 3.189 -12.887 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.202 2.753 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.389 2.042 -10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.957 4.104 -9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.482 3.935 -10.030 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.498 5.637 -11.549 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.899 6.023 -11.680 1.00 0.00 C ATOM 1021 C ALA A 65 -3.736 4.887 -12.261 1.00 0.00 C ATOM 1022 O ALA A 65 -4.551 5.100 -13.159 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.024 7.269 -12.545 1.00 0.00 C ATOM 0 H ALA A 65 -1.157 5.611 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.281 6.244 -10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.074 7.546 -12.634 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.471 8.088 -12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.617 7.067 -13.536 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.535 3.681 -11.739 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.278 2.514 -12.205 1.00 0.00 C ATOM 1031 C LEU A 66 -4.998 1.832 -11.047 1.00 0.00 C ATOM 1032 O LEU A 66 -4.924 2.283 -9.904 1.00 0.00 O ATOM 1033 CB LEU A 66 -3.342 1.520 -12.897 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.933 1.428 -12.307 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.946 0.637 -11.010 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -0.979 0.796 -13.310 1.00 0.00 C ATOM 0 H LEU A 66 -2.865 3.486 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.022 2.855 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.798 0.531 -12.861 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.260 1.795 -13.949 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.585 2.437 -12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.935 0.583 -10.607 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.598 1.130 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.314 -0.371 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.019 0.737 -12.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.326 -0.207 -13.560 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.946 1.404 -14.214 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.697 0.744 -11.351 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.434 0.000 -10.335 1.00 0.00 C ATOM 1050 C LYS A 67 -5.760 -1.336 -10.032 1.00 0.00 C ATOM 1051 O LYS A 67 -5.952 -1.906 -8.959 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.876 -0.234 -10.791 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.852 0.811 -10.277 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.802 1.276 -11.370 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.364 2.655 -11.070 1.00 0.00 C ATOM 1056 NZ LYS A 67 -11.312 3.111 -12.124 1.00 0.00 N ATOM 0 H LYS A 67 -5.769 0.357 -12.292 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.439 0.595 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.907 -0.244 -11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.200 -1.219 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.426 0.397 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.299 1.666 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.277 1.296 -12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.620 0.563 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.874 2.637 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.545 3.370 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.673 4.056 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.820 3.153 -13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.107 2.443 -12.189 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.972 -1.830 -10.983 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.274 -3.099 -10.813 1.00 0.00 C ATOM 1072 C ASN A 68 -2.899 -3.058 -11.474 1.00 0.00 C ATOM 1073 O ASN A 68 -2.709 -2.395 -12.494 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.100 -4.243 -11.403 1.00 0.00 C ATOM 1075 CG ASN A 68 -4.793 -5.576 -10.750 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -4.348 -5.630 -9.603 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.028 -6.661 -11.478 1.00 0.00 N ATOM 0 H ASN A 68 -4.802 -1.371 -11.878 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.139 -3.269 -9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.160 -4.020 -11.285 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.906 -4.313 -12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.839 -7.586 -11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.397 -6.570 -12.424 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.943 -3.770 -10.886 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.586 -3.816 -11.418 1.00 0.00 C ATOM 1086 C VAL A 69 -0.107 -5.258 -11.582 1.00 0.00 C ATOM 1087 O VAL A 69 0.102 -5.963 -10.595 1.00 0.00 O ATOM 1088 CB VAL A 69 0.401 -3.063 -10.506 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.754 -2.917 -11.186 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.159 -1.701 -10.122 1.00 0.00 C ATOM 0 H VAL A 69 -2.083 -4.323 -10.041 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.613 -3.330 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 69 0.539 -3.645 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.437 -2.383 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.160 -3.905 -11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.636 -2.359 -12.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.552 -1.184 -9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.329 -1.111 -11.022 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.102 -1.832 -9.591 1.00 0.00 H new ATOM 1100 N PRO A 70 0.074 -5.720 -12.834 1.00 0.00 N ATOM 1101 CA PRO A 70 0.529 -7.087 -13.111 1.00 0.00 C ATOM 1102 C PRO A 70 1.794 -7.444 -12.336 1.00 0.00 C ATOM 1103 O PRO A 70 2.476 -6.570 -11.803 1.00 0.00 O ATOM 1104 CB PRO A 70 0.811 -7.070 -14.615 1.00 0.00 C ATOM 1105 CG PRO A 70 -0.067 -5.994 -15.151 1.00 0.00 C ATOM 1106 CD PRO A 70 -0.149 -4.951 -14.072 1.00 0.00 C ATOM 0 HA PRO A 70 -0.209 -7.831 -12.811 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.861 -6.862 -14.819 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.582 -8.033 -15.072 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.346 -5.575 -16.069 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.056 -6.382 -15.394 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.606 -4.176 -14.205 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.119 -4.454 -14.067 1.00 0.00 H new ATOM 1114 N ARG A 71 2.098 -8.737 -12.277 1.00 0.00 N ATOM 1115 CA ARG A 71 3.281 -9.213 -11.568 1.00 0.00 C ATOM 1116 C ARG A 71 4.532 -9.054 -12.427 1.00 0.00 C ATOM 1117 O ARG A 71 5.015 -10.017 -13.022 1.00 0.00 O ATOM 1118 CB ARG A 71 3.103 -10.677 -11.162 1.00 0.00 C ATOM 1119 CG ARG A 71 2.839 -10.869 -9.677 1.00 0.00 C ATOM 1120 CD ARG A 71 3.880 -11.770 -9.032 1.00 0.00 C ATOM 1121 NE ARG A 71 4.305 -11.269 -7.727 1.00 0.00 N ATOM 1122 CZ ARG A 71 4.968 -11.999 -6.833 1.00 0.00 C ATOM 1123 NH1 ARG A 71 5.285 -13.260 -7.099 1.00 0.00 N ATOM 1124 NH2 ARG A 71 5.318 -11.466 -5.670 1.00 0.00 N ATOM 0 H ARG A 71 1.542 -9.473 -12.711 1.00 0.00 H new ATOM 0 HA ARG A 71 3.404 -8.609 -10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.275 -11.104 -11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.999 -11.233 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.839 -9.899 -9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.848 -11.300 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.471 -12.774 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.746 -11.851 -9.689 1.00 0.00 H new ATOM 0 HE ARG A 71 4.081 -10.303 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.020 -13.675 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.793 -13.814 -6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.079 -10.497 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.826 -12.025 -4.985 1.00 0.00 H new ATOM 1138 N LYS A 72 5.052 -7.833 -12.484 1.00 0.00 N ATOM 1139 CA LYS A 72 6.248 -7.545 -13.267 1.00 0.00 C ATOM 1140 C LYS A 72 6.771 -6.147 -12.962 1.00 0.00 C ATOM 1141 O LYS A 72 7.929 -5.975 -12.578 1.00 0.00 O ATOM 1142 CB LYS A 72 5.948 -7.676 -14.762 1.00 0.00 C ATOM 1143 CG LYS A 72 7.116 -8.215 -15.572 1.00 0.00 C ATOM 1144 CD LYS A 72 7.247 -9.722 -15.426 1.00 0.00 C ATOM 1145 CE LYS A 72 6.710 -10.450 -16.649 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.806 -10.916 -17.542 1.00 0.00 N ATOM 0 H LYS A 72 4.663 -7.026 -11.997 1.00 0.00 H new ATOM 0 HA LYS A 72 7.016 -8.269 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.090 -8.334 -14.895 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.665 -6.699 -15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.979 -7.961 -16.623 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.039 -7.735 -15.246 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.294 -9.984 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.706 -10.051 -14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.113 -11.305 -16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.046 -9.787 -17.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.399 -11.407 -18.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.360 -10.098 -17.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.425 -11.569 -17.020 1.00 0.00 H new ATOM 1160 N ASP A 73 5.910 -5.149 -13.132 1.00 0.00 N ATOM 1161 CA ASP A 73 6.284 -3.764 -12.871 1.00 0.00 C ATOM 1162 C ASP A 73 5.671 -3.273 -11.563 1.00 0.00 C ATOM 1163 O ASP A 73 5.399 -2.083 -11.402 1.00 0.00 O ATOM 1164 CB ASP A 73 5.838 -2.866 -14.026 1.00 0.00 C ATOM 1165 CG ASP A 73 6.554 -3.189 -15.322 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.721 -3.632 -15.261 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.949 -3.000 -16.398 1.00 0.00 O ATOM 0 H ASP A 73 4.949 -5.274 -13.449 1.00 0.00 H new ATOM 0 HA ASP A 73 7.369 -3.717 -12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.763 -2.974 -14.172 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.021 -1.824 -13.763 1.00 0.00 H new ATOM 1172 N THR A 74 5.456 -4.196 -10.631 1.00 0.00 N ATOM 1173 CA THR A 74 4.876 -3.857 -9.337 1.00 0.00 C ATOM 1174 C THR A 74 5.957 -3.477 -8.325 1.00 0.00 C ATOM 1175 O THR A 74 5.659 -2.921 -7.269 1.00 0.00 O ATOM 1176 CB THR A 74 4.053 -5.030 -8.803 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.513 -4.726 -7.529 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.849 -6.310 -8.671 1.00 0.00 C ATOM 0 H THR A 74 5.675 -5.185 -10.748 1.00 0.00 H new ATOM 0 HA THR A 74 4.225 -2.994 -9.479 1.00 0.00 H new ATOM 0 HB THR A 74 3.264 -5.187 -9.539 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.770 -5.335 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.205 -7.101 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.237 -6.600 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.680 -6.153 -7.983 1.00 0.00 H new ATOM 1186 N HIS A 75 7.211 -3.781 -8.652 1.00 0.00 N ATOM 1187 CA HIS A 75 8.327 -3.469 -7.766 1.00 0.00 C ATOM 1188 C HIS A 75 8.959 -2.125 -8.124 1.00 0.00 C ATOM 1189 O HIS A 75 10.103 -1.852 -7.761 1.00 0.00 O ATOM 1190 CB HIS A 75 9.383 -4.573 -7.836 1.00 0.00 C ATOM 1191 CG HIS A 75 8.814 -5.954 -7.718 1.00 0.00 C ATOM 1192 ND1 HIS A 75 8.844 -6.682 -6.549 1.00 0.00 N ATOM 1193 CD2 HIS A 75 8.198 -6.739 -8.633 1.00 0.00 C ATOM 1194 CE1 HIS A 75 8.271 -7.857 -6.750 1.00 0.00 C ATOM 1195 NE2 HIS A 75 7.871 -7.916 -8.006 1.00 0.00 N ATOM 0 H HIS A 75 7.478 -4.242 -9.522 1.00 0.00 H new ATOM 0 HA HIS A 75 7.939 -3.405 -6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.921 -4.490 -8.780 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.111 -4.419 -7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.001 -6.486 -9.664 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.151 -8.636 -6.012 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.396 -8.707 -8.441 1.00 0.00 H new ATOM 1204 N LEU A 76 8.208 -1.287 -8.834 1.00 0.00 N ATOM 1205 CA LEU A 76 8.700 0.028 -9.233 1.00 0.00 C ATOM 1206 C LEU A 76 7.791 1.143 -8.714 1.00 0.00 C ATOM 1207 O LEU A 76 8.058 2.323 -8.940 1.00 0.00 O ATOM 1208 CB LEU A 76 8.808 0.112 -10.758 1.00 0.00 C ATOM 1209 CG LEU A 76 9.913 -0.746 -11.377 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.579 -1.086 -12.820 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.253 -0.028 -11.291 1.00 0.00 C ATOM 0 H LEU A 76 7.259 -1.495 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 76 9.688 0.162 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.853 -0.185 -11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.976 1.152 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 76 9.984 -1.677 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.376 -1.697 -13.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.640 -1.639 -12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.480 -0.167 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.029 -0.651 -11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.194 0.918 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.496 0.164 -10.246 1.00 0.00 H new ATOM 1223 N TYR A 77 6.720 0.767 -8.020 1.00 0.00 N ATOM 1224 CA TYR A 77 5.781 1.741 -7.475 1.00 0.00 C ATOM 1225 C TYR A 77 5.919 1.841 -5.959 1.00 0.00 C ATOM 1226 O TYR A 77 5.630 2.882 -5.368 1.00 0.00 O ATOM 1227 CB TYR A 77 4.347 1.360 -7.844 1.00 0.00 C ATOM 1228 CG TYR A 77 4.094 1.324 -9.335 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.534 2.353 -10.157 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.414 0.262 -9.919 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.305 2.325 -11.520 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.182 0.227 -11.280 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.629 1.260 -12.076 1.00 0.00 C ATOM 1234 OH TYR A 77 3.398 1.228 -13.433 1.00 0.00 O ATOM 0 H TYR A 77 6.482 -0.205 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 77 6.014 2.714 -7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.120 0.381 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.661 2.072 -7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.064 3.189 -9.724 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.061 -0.549 -9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.654 3.133 -12.146 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.653 -0.606 -11.719 1.00 0.00 H new ATOM 0 HH TYR A 77 2.911 0.409 -13.663 1.00 0.00 H new ATOM 1244 N ILE A 78 6.361 0.755 -5.333 1.00 0.00 N ATOM 1245 CA ILE A 78 6.539 0.720 -3.887 1.00 0.00 C ATOM 1246 C ILE A 78 7.690 -0.203 -3.500 1.00 0.00 C ATOM 1247 O ILE A 78 7.836 -1.293 -4.053 1.00 0.00 O ATOM 1248 CB ILE A 78 5.253 0.255 -3.174 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.437 0.291 -1.656 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.867 -1.142 -3.634 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.133 0.295 -0.888 1.00 0.00 C ATOM 0 H ILE A 78 6.603 -0.115 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 78 6.771 1.736 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 78 4.446 0.939 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.027 -0.573 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.009 1.179 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.958 -1.455 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.693 -1.136 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.673 -1.838 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.341 0.321 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.550 1.173 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.568 -0.606 -1.126 1.00 0.00 H new ATOM 1263 N ALA A 79 8.506 0.239 -2.549 1.00 0.00 N ATOM 1264 CA ALA A 79 9.643 -0.549 -2.092 1.00 0.00 C ATOM 1265 C ALA A 79 9.891 -0.347 -0.599 1.00 0.00 C ATOM 1266 O ALA A 79 9.778 0.769 -0.090 1.00 0.00 O ATOM 1267 CB ALA A 79 10.888 -0.183 -2.886 1.00 0.00 C ATOM 0 H ALA A 79 8.401 1.139 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 79 9.412 -1.602 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.731 -0.778 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.717 -0.383 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.109 0.875 -2.748 1.00 0.00 H new ATOM 1273 N PRO A 80 10.236 -1.427 0.129 1.00 0.00 N ATOM 1274 CA PRO A 80 10.500 -1.353 1.570 1.00 0.00 C ATOM 1275 C PRO A 80 11.595 -0.345 1.902 1.00 0.00 C ATOM 1276 O PRO A 80 12.755 -0.531 1.533 1.00 0.00 O ATOM 1277 CB PRO A 80 10.954 -2.770 1.930 1.00 0.00 C ATOM 1278 CG PRO A 80 10.402 -3.637 0.853 1.00 0.00 C ATOM 1279 CD PRO A 80 10.397 -2.797 -0.391 1.00 0.00 C ATOM 0 HA PRO A 80 9.623 -1.022 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.041 -2.837 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.578 -3.068 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.013 -4.530 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.395 -3.974 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.323 -2.907 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.581 -3.072 -1.060 1.00 0.00 H new ATOM 1287 N LYS A 81 11.221 0.721 2.601 1.00 0.00 N ATOM 1288 CA LYS A 81 12.175 1.758 2.981 1.00 0.00 C ATOM 1289 C LYS A 81 12.484 1.693 4.473 1.00 0.00 C ATOM 1290 O LYS A 81 11.589 1.815 5.309 1.00 0.00 O ATOM 1291 CB LYS A 81 11.627 3.139 2.619 1.00 0.00 C ATOM 1292 CG LYS A 81 12.690 4.224 2.575 1.00 0.00 C ATOM 1293 CD LYS A 81 13.202 4.448 1.161 1.00 0.00 C ATOM 1294 CE LYS A 81 14.544 3.770 0.938 1.00 0.00 C ATOM 1295 NZ LYS A 81 15.409 4.544 0.005 1.00 0.00 N ATOM 0 H LYS A 81 10.266 0.890 2.916 1.00 0.00 H new ATOM 0 HA LYS A 81 13.100 1.587 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.137 3.083 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.864 3.419 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.277 5.154 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.521 3.947 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.476 4.063 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.298 5.517 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.055 3.653 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.383 2.769 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.315 4.048 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.933 4.634 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.584 5.491 0.399 1.00 0.00 H new