USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 281 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 27 LYS NZ :NH3+ 140:sc= -0.269 (180deg=-1.68!) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 135:sc= -0.111 (180deg=-1.05) USER MOD Single : A 4 ASN : amide:sc= -0.749 X(o=-0.75,f=-0.69) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc=-0.00192 (180deg=-0.302) USER MOD Single : A 10 SER OG : rot 66:sc= 1.09 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= -0.123 (180deg=-0.949) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 139:sc= -0.406 (180deg=-1.92!) USER MOD Single : A 30 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.18) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.021 9.532 1.699 1.00 0.00 N ATOM 2 CA VAL A 1 -1.963 8.672 2.917 1.00 0.00 C ATOM 3 C VAL A 1 -1.098 7.437 2.655 1.00 0.00 C ATOM 4 O VAL A 1 -1.505 6.320 2.903 1.00 0.00 O ATOM 5 CB VAL A 1 -3.409 8.259 3.182 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.898 7.357 2.047 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.484 7.497 4.506 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.002 9.835 1.534 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.419 10.369 1.836 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.682 8.993 0.877 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.524 9.195 3.767 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.038 9.148 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.930 7.062 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.842 7.898 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.270 6.467 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.515 7.201 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.856 6.608 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.134 8.138 5.315 1.00 0.00 H new ATOM 19 N PHE A 2 0.090 7.628 2.153 1.00 0.00 N ATOM 20 CA PHE A 2 0.975 6.462 1.872 1.00 0.00 C ATOM 21 C PHE A 2 1.841 6.145 3.095 1.00 0.00 C ATOM 22 O PHE A 2 2.124 7.004 3.906 1.00 0.00 O ATOM 23 CB PHE A 2 1.847 6.900 0.692 1.00 0.00 C ATOM 24 CG PHE A 2 0.985 7.185 -0.521 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.406 7.006 -0.465 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.581 7.632 -1.707 1.00 0.00 C ATOM 27 CE1 PHE A 2 -1.193 7.272 -1.593 1.00 0.00 C ATOM 28 CE2 PHE A 2 0.793 7.897 -2.833 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.594 7.718 -2.775 1.00 0.00 C ATOM 0 H PHE A 2 0.487 8.540 1.925 1.00 0.00 H new ATOM 0 HA PHE A 2 0.408 5.559 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.414 7.791 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.571 6.120 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.870 6.663 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.651 7.773 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.263 7.132 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.255 8.240 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.202 7.924 -3.644 1.00 0.00 H new ATOM 39 N ILE A 3 2.266 4.917 3.231 1.00 0.00 N ATOM 40 CA ILE A 3 3.116 4.550 4.401 1.00 0.00 C ATOM 41 C ILE A 3 4.526 4.185 3.931 1.00 0.00 C ATOM 42 O ILE A 3 4.722 3.725 2.824 1.00 0.00 O ATOM 43 CB ILE A 3 2.431 3.338 5.032 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.494 2.156 4.062 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.970 3.673 5.333 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.805 0.944 4.690 1.00 0.00 C ATOM 0 H ILE A 3 2.062 4.155 2.585 1.00 0.00 H new ATOM 0 HA ILE A 3 3.217 5.371 5.110 1.00 0.00 H new ATOM 0 HB ILE A 3 2.940 3.076 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.008 2.417 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.532 1.918 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.483 2.808 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.925 4.515 6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.459 3.936 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.850 0.102 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.310 0.679 5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.763 1.186 4.900 1.00 0.00 H new ATOM 58 N ASN A 4 5.510 4.390 4.762 1.00 0.00 N ATOM 59 CA ASN A 4 6.907 4.061 4.361 1.00 0.00 C ATOM 60 C ASN A 4 7.135 2.546 4.391 1.00 0.00 C ATOM 61 O ASN A 4 8.208 2.067 4.085 1.00 0.00 O ATOM 62 CB ASN A 4 7.786 4.757 5.401 1.00 0.00 C ATOM 63 CG ASN A 4 7.330 4.357 6.804 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.657 5.112 7.477 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.668 3.188 7.277 1.00 0.00 N ATOM 0 H ASN A 4 5.407 4.771 5.702 1.00 0.00 H new ATOM 0 HA ASN A 4 7.131 4.389 3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.830 4.481 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.723 5.839 5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.367 2.909 8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.233 2.553 6.713 1.00 0.00 H new ATOM 72 N ALA A 5 6.137 1.789 4.756 1.00 0.00 N ATOM 73 CA ALA A 5 6.305 0.306 4.801 1.00 0.00 C ATOM 74 C ALA A 5 7.077 -0.174 3.568 1.00 0.00 C ATOM 75 O ALA A 5 6.629 -0.030 2.447 1.00 0.00 O ATOM 76 CB ALA A 5 4.884 -0.256 4.799 1.00 0.00 C ATOM 0 H ALA A 5 5.214 2.131 5.025 1.00 0.00 H new ATOM 0 HA ALA A 5 6.868 -0.020 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.923 -1.345 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.345 0.113 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.368 0.062 3.893 1.00 0.00 H new ATOM 82 N LYS A 6 8.237 -0.740 3.765 1.00 0.00 N ATOM 83 CA LYS A 6 9.042 -1.224 2.606 1.00 0.00 C ATOM 84 C LYS A 6 8.315 -2.356 1.881 1.00 0.00 C ATOM 85 O LYS A 6 8.732 -3.496 1.911 1.00 0.00 O ATOM 86 CB LYS A 6 10.341 -1.734 3.217 1.00 0.00 C ATOM 87 CG LYS A 6 11.472 -1.610 2.194 1.00 0.00 C ATOM 88 CD LYS A 6 12.397 -2.824 2.302 1.00 0.00 C ATOM 89 CE LYS A 6 13.013 -2.878 3.702 1.00 0.00 C ATOM 90 NZ LYS A 6 14.069 -1.829 3.696 1.00 0.00 N ATOM 0 H LYS A 6 8.663 -0.888 4.680 1.00 0.00 H new ATOM 0 HA LYS A 6 9.212 -0.438 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.583 -1.162 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.227 -2.774 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.060 -1.543 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.036 -0.694 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.838 -3.739 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.184 -2.762 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.265 -2.682 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.434 -3.861 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.894 -2.164 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.353 -1.628 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.699 -0.961 4.134 1.00 0.00 H new ATOM 104 N CYS A 7 7.235 -2.050 1.225 1.00 0.00 N ATOM 105 CA CYS A 7 6.482 -3.110 0.491 1.00 0.00 C ATOM 106 C CYS A 7 7.443 -3.934 -0.372 1.00 0.00 C ATOM 107 O CYS A 7 8.512 -3.479 -0.731 1.00 0.00 O ATOM 108 CB CYS A 7 5.475 -2.363 -0.387 1.00 0.00 C ATOM 109 SG CYS A 7 6.294 -0.980 -1.222 1.00 0.00 S ATOM 0 H CYS A 7 6.838 -1.113 1.163 1.00 0.00 H new ATOM 0 HA CYS A 7 5.984 -3.803 1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.047 -3.043 -1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.650 -1.994 0.223 1.00 0.00 H new ATOM 114 N ARG A 8 7.075 -5.141 -0.705 1.00 0.00 N ATOM 115 CA ARG A 8 7.974 -5.990 -1.541 1.00 0.00 C ATOM 116 C ARG A 8 7.923 -5.544 -3.007 1.00 0.00 C ATOM 117 O ARG A 8 8.770 -5.900 -3.802 1.00 0.00 O ATOM 118 CB ARG A 8 7.433 -7.413 -1.393 1.00 0.00 C ATOM 119 CG ARG A 8 7.742 -7.934 0.014 1.00 0.00 C ATOM 120 CD ARG A 8 9.064 -8.705 -0.002 1.00 0.00 C ATOM 121 NE ARG A 8 8.675 -10.143 0.041 1.00 0.00 N ATOM 122 CZ ARG A 8 9.586 -11.070 -0.076 1.00 0.00 C ATOM 123 NH1 ARG A 8 10.569 -10.915 -0.920 1.00 0.00 N ATOM 124 NH2 ARG A 8 9.514 -12.155 0.648 1.00 0.00 N ATOM 0 H ARG A 8 6.193 -5.576 -0.436 1.00 0.00 H new ATOM 0 HA ARG A 8 9.015 -5.916 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.357 -7.424 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.885 -8.065 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.803 -7.102 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.936 -8.582 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.641 -8.479 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.686 -8.439 0.853 1.00 0.00 H new ATOM 0 HE ARG A 8 7.696 -10.403 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.625 -10.070 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.281 -11.639 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.745 -12.279 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.227 -12.878 0.555 1.00 0.00 H new ATOM 138 N GLY A 9 6.939 -4.767 -3.372 1.00 0.00 N ATOM 139 CA GLY A 9 6.847 -4.305 -4.786 1.00 0.00 C ATOM 140 C GLY A 9 5.388 -4.025 -5.151 1.00 0.00 C ATOM 141 O GLY A 9 5.102 -3.260 -6.050 1.00 0.00 O ATOM 0 H GLY A 9 6.198 -4.434 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.444 -3.403 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.258 -5.063 -5.452 1.00 0.00 H new ATOM 145 N SER A 10 4.458 -4.636 -4.464 1.00 0.00 N ATOM 146 CA SER A 10 3.019 -4.397 -4.783 1.00 0.00 C ATOM 147 C SER A 10 2.119 -5.395 -4.039 1.00 0.00 C ATOM 148 O SER A 10 1.223 -4.992 -3.323 1.00 0.00 O ATOM 149 CB SER A 10 2.903 -4.596 -6.294 1.00 0.00 C ATOM 150 OG SER A 10 2.730 -3.332 -6.923 1.00 0.00 O ATOM 0 H SER A 10 4.632 -5.288 -3.699 1.00 0.00 H new ATOM 0 HA SER A 10 2.699 -3.401 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.798 -5.086 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.060 -5.247 -6.523 1.00 0.00 H new ATOM 0 HG SER A 10 3.544 -2.797 -6.811 1.00 0.00 H new ATOM 156 N PRO A 11 2.371 -6.670 -4.230 1.00 0.00 N ATOM 157 CA PRO A 11 1.553 -7.711 -3.563 1.00 0.00 C ATOM 158 C PRO A 11 1.601 -7.543 -2.041 1.00 0.00 C ATOM 159 O PRO A 11 0.806 -8.112 -1.319 1.00 0.00 O ATOM 160 CB PRO A 11 2.231 -9.011 -4.004 1.00 0.00 C ATOM 161 CG PRO A 11 3.419 -8.663 -4.921 1.00 0.00 C ATOM 162 CD PRO A 11 3.472 -7.141 -5.107 1.00 0.00 C ATOM 0 HA PRO A 11 0.496 -7.673 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.576 -9.571 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.521 -9.648 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.351 -9.022 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.308 -9.157 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.435 -6.729 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.314 -6.854 -6.146 1.00 0.00 H new ATOM 170 N GLU A 12 2.522 -6.760 -1.550 1.00 0.00 N ATOM 171 CA GLU A 12 2.611 -6.551 -0.077 1.00 0.00 C ATOM 172 C GLU A 12 1.899 -5.253 0.305 1.00 0.00 C ATOM 173 O GLU A 12 1.373 -5.117 1.392 1.00 0.00 O ATOM 174 CB GLU A 12 4.106 -6.456 0.223 1.00 0.00 C ATOM 175 CG GLU A 12 4.486 -7.522 1.251 1.00 0.00 C ATOM 176 CD GLU A 12 3.833 -7.191 2.594 1.00 0.00 C ATOM 177 OE1 GLU A 12 3.273 -6.112 2.707 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.905 -8.019 3.487 1.00 0.00 O ATOM 0 H GLU A 12 3.215 -6.257 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 12 2.139 -7.355 0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.681 -6.596 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.349 -5.464 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.161 -8.505 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.569 -7.565 1.362 1.00 0.00 H new ATOM 185 N CYS A 13 1.876 -4.299 -0.584 1.00 0.00 N ATOM 186 CA CYS A 13 1.194 -3.010 -0.280 1.00 0.00 C ATOM 187 C CYS A 13 -0.325 -3.200 -0.334 1.00 0.00 C ATOM 188 O CYS A 13 -1.063 -2.578 0.404 1.00 0.00 O ATOM 189 CB CYS A 13 1.665 -2.048 -1.375 1.00 0.00 C ATOM 190 SG CYS A 13 0.567 -0.608 -1.449 1.00 0.00 S ATOM 0 H CYS A 13 2.301 -4.357 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 13 1.430 -2.633 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.687 -1.727 -1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.675 -2.558 -2.338 1.00 0.00 H new ATOM 195 N LEU A 14 -0.796 -4.056 -1.199 1.00 0.00 N ATOM 196 CA LEU A 14 -2.266 -4.283 -1.293 1.00 0.00 C ATOM 197 C LEU A 14 -2.811 -4.788 0.049 1.00 0.00 C ATOM 198 O LEU A 14 -3.684 -4.168 0.623 1.00 0.00 O ATOM 199 CB LEU A 14 -2.446 -5.333 -2.388 1.00 0.00 C ATOM 200 CG LEU A 14 -3.050 -4.674 -3.628 1.00 0.00 C ATOM 201 CD1 LEU A 14 -4.308 -3.900 -3.235 1.00 0.00 C ATOM 202 CD2 LEU A 14 -2.026 -3.712 -4.236 1.00 0.00 C ATOM 0 H LEU A 14 -0.228 -4.607 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.810 -3.368 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.486 -5.786 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.095 -6.134 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.312 -5.440 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.738 -3.431 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.035 -4.585 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.050 -3.132 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.452 -3.239 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.767 -2.946 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.129 -4.265 -4.516 1.00 0.00 H new ATOM 214 N PRO A 15 -2.278 -5.892 0.520 1.00 0.00 N ATOM 215 CA PRO A 15 -2.730 -6.448 1.815 1.00 0.00 C ATOM 216 C PRO A 15 -2.514 -5.411 2.918 1.00 0.00 C ATOM 217 O PRO A 15 -3.411 -5.093 3.677 1.00 0.00 O ATOM 218 CB PRO A 15 -1.815 -7.661 2.004 1.00 0.00 C ATOM 219 CG PRO A 15 -0.864 -7.754 0.795 1.00 0.00 C ATOM 220 CD PRO A 15 -1.211 -6.632 -0.194 1.00 0.00 C ATOM 0 HA PRO A 15 -3.787 -6.713 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.244 -7.564 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.408 -8.572 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.172 -7.662 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.961 -8.726 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.350 -5.998 -0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.560 -7.026 -1.148 1.00 0.00 H new ATOM 228 N LYS A 16 -1.332 -4.864 2.996 1.00 0.00 N ATOM 229 CA LYS A 16 -1.059 -3.831 4.032 1.00 0.00 C ATOM 230 C LYS A 16 -2.119 -2.734 3.936 1.00 0.00 C ATOM 231 O LYS A 16 -2.533 -2.162 4.925 1.00 0.00 O ATOM 232 CB LYS A 16 0.323 -3.277 3.686 1.00 0.00 C ATOM 233 CG LYS A 16 1.400 -4.131 4.356 1.00 0.00 C ATOM 234 CD LYS A 16 2.251 -3.251 5.274 1.00 0.00 C ATOM 235 CE LYS A 16 2.932 -4.122 6.331 1.00 0.00 C ATOM 236 NZ LYS A 16 1.837 -4.529 7.256 1.00 0.00 N ATOM 0 H LYS A 16 -0.545 -5.088 2.387 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.087 -4.229 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.465 -3.276 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.405 -2.242 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.938 -4.934 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.029 -4.601 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.001 -2.717 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.626 -2.499 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.410 -4.991 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.709 -3.569 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.032 -4.159 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.933 -4.146 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.781 -5.567 7.293 1.00 0.00 H new ATOM 250 N CYS A 17 -2.569 -2.448 2.744 1.00 0.00 N ATOM 251 CA CYS A 17 -3.613 -1.399 2.570 1.00 0.00 C ATOM 252 C CYS A 17 -4.930 -1.883 3.176 1.00 0.00 C ATOM 253 O CYS A 17 -5.615 -1.153 3.865 1.00 0.00 O ATOM 254 CB CYS A 17 -3.748 -1.224 1.058 1.00 0.00 C ATOM 255 SG CYS A 17 -4.455 0.402 0.701 1.00 0.00 S ATOM 0 H CYS A 17 -2.258 -2.897 1.882 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.355 -0.462 3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.773 -1.321 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.384 -2.008 0.646 1.00 0.00 H new ATOM 260 N LYS A 18 -5.283 -3.115 2.933 1.00 0.00 N ATOM 261 CA LYS A 18 -6.549 -3.655 3.501 1.00 0.00 C ATOM 262 C LYS A 18 -6.556 -3.462 5.018 1.00 0.00 C ATOM 263 O LYS A 18 -7.587 -3.253 5.625 1.00 0.00 O ATOM 264 CB LYS A 18 -6.535 -5.143 3.145 1.00 0.00 C ATOM 265 CG LYS A 18 -7.809 -5.808 3.666 1.00 0.00 C ATOM 266 CD LYS A 18 -8.351 -6.769 2.604 1.00 0.00 C ATOM 267 CE LYS A 18 -9.787 -6.379 2.247 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.633 -7.457 2.831 1.00 0.00 N ATOM 0 H LYS A 18 -4.748 -3.772 2.365 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.434 -3.154 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.463 -5.268 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.658 -5.623 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.599 -6.349 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.557 -5.051 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.722 -6.736 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.323 -7.793 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.047 -5.405 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.922 -6.312 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.634 -7.261 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.368 -8.371 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.489 -7.492 3.860 1.00 0.00 H new ATOM 282 N GLU A 19 -5.406 -3.525 5.631 1.00 0.00 N ATOM 283 CA GLU A 19 -5.336 -3.339 7.108 1.00 0.00 C ATOM 284 C GLU A 19 -5.147 -1.855 7.440 1.00 0.00 C ATOM 285 O GLU A 19 -5.346 -1.427 8.559 1.00 0.00 O ATOM 286 CB GLU A 19 -4.113 -4.144 7.549 1.00 0.00 C ATOM 287 CG GLU A 19 -4.489 -5.622 7.679 1.00 0.00 C ATOM 288 CD GLU A 19 -4.186 -6.103 9.100 1.00 0.00 C ATOM 289 OE1 GLU A 19 -3.114 -5.793 9.593 1.00 0.00 O ATOM 290 OE2 GLU A 19 -5.032 -6.773 9.670 1.00 0.00 O ATOM 0 H GLU A 19 -4.511 -3.697 5.173 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.245 -3.668 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.307 -4.026 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.742 -3.768 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.547 -5.760 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.930 -6.215 6.956 1.00 0.00 H new ATOM 297 N ALA A 20 -4.760 -1.069 6.472 1.00 0.00 N ATOM 298 CA ALA A 20 -4.554 0.385 6.730 1.00 0.00 C ATOM 299 C ALA A 20 -5.890 1.132 6.671 1.00 0.00 C ATOM 300 O ALA A 20 -6.228 1.885 7.563 1.00 0.00 O ATOM 301 CB ALA A 20 -3.624 0.857 5.612 1.00 0.00 C ATOM 0 H ALA A 20 -4.578 -1.370 5.515 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.133 0.572 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.423 1.922 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.686 0.303 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.099 0.683 4.646 1.00 0.00 H new ATOM 307 N ILE A 21 -6.650 0.937 5.627 1.00 0.00 N ATOM 308 CA ILE A 21 -7.960 1.644 5.517 1.00 0.00 C ATOM 309 C ILE A 21 -9.092 0.646 5.243 1.00 0.00 C ATOM 310 O ILE A 21 -10.256 0.990 5.282 1.00 0.00 O ATOM 311 CB ILE A 21 -7.797 2.605 4.337 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.120 1.877 3.175 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.932 3.794 4.762 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.098 2.787 1.946 1.00 0.00 C ATOM 0 H ILE A 21 -6.422 0.320 4.847 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.219 2.166 6.438 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.778 2.961 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.104 1.596 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.655 0.955 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.816 4.478 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.412 4.315 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.952 3.437 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.615 2.268 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.119 3.046 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.544 3.697 2.177 1.00 0.00 H new ATOM 326 N GLY A 22 -8.762 -0.586 4.964 1.00 0.00 N ATOM 327 CA GLY A 22 -9.824 -1.595 4.688 1.00 0.00 C ATOM 328 C GLY A 22 -10.265 -1.482 3.228 1.00 0.00 C ATOM 329 O GLY A 22 -11.408 -1.721 2.892 1.00 0.00 O ATOM 0 H GLY A 22 -7.805 -0.937 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.449 -2.598 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.675 -1.434 5.350 1.00 0.00 H new ATOM 333 N LYS A 23 -9.364 -1.118 2.357 1.00 0.00 N ATOM 334 CA LYS A 23 -9.730 -0.988 0.918 1.00 0.00 C ATOM 335 C LYS A 23 -8.557 -1.421 0.037 1.00 0.00 C ATOM 336 O LYS A 23 -7.591 -0.703 -0.123 1.00 0.00 O ATOM 337 CB LYS A 23 -10.030 0.497 0.720 1.00 0.00 C ATOM 338 CG LYS A 23 -11.491 0.672 0.300 1.00 0.00 C ATOM 339 CD LYS A 23 -11.556 1.506 -0.981 1.00 0.00 C ATOM 340 CE LYS A 23 -13.005 1.920 -1.249 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.957 2.669 -2.535 1.00 0.00 N ATOM 0 H LYS A 23 -8.391 -0.905 2.579 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.580 -1.615 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.838 1.044 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.370 0.914 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.953 -0.302 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.053 1.162 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.926 2.390 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.170 0.930 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.657 1.050 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.394 2.543 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.914 2.987 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.334 3.495 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.589 2.049 -3.284 1.00 0.00 H new ATOM 355 N ALA A 24 -8.636 -2.591 -0.534 1.00 0.00 N ATOM 356 CA ALA A 24 -7.524 -3.072 -1.404 1.00 0.00 C ATOM 357 C ALA A 24 -7.412 -2.192 -2.652 1.00 0.00 C ATOM 358 O ALA A 24 -7.628 -2.640 -3.761 1.00 0.00 O ATOM 359 CB ALA A 24 -7.909 -4.502 -1.787 1.00 0.00 C ATOM 0 H ALA A 24 -9.421 -3.235 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.558 -3.033 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.138 -4.927 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.004 -5.107 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.860 -4.493 -2.319 1.00 0.00 H new ATOM 365 N ALA A 25 -7.075 -0.945 -2.478 1.00 0.00 N ATOM 366 CA ALA A 25 -6.947 -0.035 -3.650 1.00 0.00 C ATOM 367 C ALA A 25 -5.661 0.787 -3.538 1.00 0.00 C ATOM 368 O ALA A 25 -5.654 1.873 -2.990 1.00 0.00 O ATOM 369 CB ALA A 25 -8.173 0.875 -3.580 1.00 0.00 C ATOM 0 H ALA A 25 -6.882 -0.516 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.897 -0.578 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.153 1.578 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.078 0.271 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.164 1.426 -2.640 1.00 0.00 H new ATOM 375 N GLY A 26 -4.572 0.279 -4.047 1.00 0.00 N ATOM 376 CA GLY A 26 -3.292 1.035 -3.960 1.00 0.00 C ATOM 377 C GLY A 26 -2.158 0.207 -4.570 1.00 0.00 C ATOM 378 O GLY A 26 -2.376 -0.862 -5.105 1.00 0.00 O ATOM 0 H GLY A 26 -4.514 -0.624 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.384 1.985 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.066 1.267 -2.919 1.00 0.00 H new ATOM 382 N LYS A 27 -0.948 0.693 -4.494 1.00 0.00 N ATOM 383 CA LYS A 27 0.201 -0.068 -5.068 1.00 0.00 C ATOM 384 C LYS A 27 1.490 0.252 -4.299 1.00 0.00 C ATOM 385 O LYS A 27 1.499 1.069 -3.400 1.00 0.00 O ATOM 386 CB LYS A 27 0.311 0.402 -6.520 1.00 0.00 C ATOM 387 CG LYS A 27 -1.063 0.328 -7.190 1.00 0.00 C ATOM 388 CD LYS A 27 -0.909 0.564 -8.694 1.00 0.00 C ATOM 389 CE LYS A 27 -2.105 1.365 -9.216 1.00 0.00 C ATOM 390 NZ LYS A 27 -2.030 2.674 -8.509 1.00 0.00 N ATOM 0 H LYS A 27 -0.705 1.583 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 27 0.052 -1.146 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.689 1.424 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.024 -0.220 -7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.516 -0.646 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.730 1.075 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.017 1.103 -8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.842 -0.390 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.051 1.496 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.045 0.855 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.273 3.440 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.700 2.678 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.065 2.820 -8.150 1.00 0.00 H new ATOM 404 N CYS A 28 2.578 -0.385 -4.646 1.00 0.00 N ATOM 405 CA CYS A 28 3.863 -0.117 -3.935 1.00 0.00 C ATOM 406 C CYS A 28 4.856 0.579 -4.875 1.00 0.00 C ATOM 407 O CYS A 28 4.971 0.238 -6.036 1.00 0.00 O ATOM 408 CB CYS A 28 4.379 -1.501 -3.519 1.00 0.00 C ATOM 409 SG CYS A 28 6.162 -1.436 -3.186 1.00 0.00 S ATOM 0 H CYS A 28 2.632 -1.079 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 28 3.734 0.542 -3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.849 -1.842 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.176 -2.225 -4.309 1.00 0.00 H new ATOM 414 N MET A 29 5.578 1.546 -4.377 1.00 0.00 N ATOM 415 CA MET A 29 6.569 2.257 -5.235 1.00 0.00 C ATOM 416 C MET A 29 7.734 2.776 -4.382 1.00 0.00 C ATOM 417 O MET A 29 7.537 3.392 -3.354 1.00 0.00 O ATOM 418 CB MET A 29 5.793 3.419 -5.861 1.00 0.00 C ATOM 419 CG MET A 29 5.567 4.512 -4.815 1.00 0.00 C ATOM 420 SD MET A 29 6.850 5.778 -4.980 1.00 0.00 S ATOM 421 CE MET A 29 6.377 6.366 -6.625 1.00 0.00 C ATOM 0 H MET A 29 5.524 1.875 -3.413 1.00 0.00 H new ATOM 0 HA MET A 29 7.002 1.605 -5.994 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.346 3.823 -6.709 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.836 3.065 -6.244 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.581 4.958 -4.947 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.591 4.083 -3.813 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.450 7.453 -6.658 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.045 5.935 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.352 6.064 -6.838 1.00 0.00 H new ATOM 431 N ASN A 30 8.945 2.530 -4.802 1.00 0.00 N ATOM 432 CA ASN A 30 10.124 3.010 -4.020 1.00 0.00 C ATOM 433 C ASN A 30 10.094 2.450 -2.594 1.00 0.00 C ATOM 434 O ASN A 30 10.389 3.142 -1.641 1.00 0.00 O ATOM 435 CB ASN A 30 9.992 4.533 -3.996 1.00 0.00 C ATOM 436 CG ASN A 30 11.372 5.167 -4.187 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.048 4.898 -5.161 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.822 6.005 -3.293 1.00 0.00 N ATOM 0 H ASN A 30 9.171 2.017 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 30 11.065 2.685 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.316 4.863 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.559 4.856 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.740 6.433 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.256 6.231 -2.475 1.00 0.00 H new ATOM 445 N GLY A 31 9.750 1.202 -2.441 1.00 0.00 N ATOM 446 CA GLY A 31 9.712 0.601 -1.075 1.00 0.00 C ATOM 447 C GLY A 31 8.616 1.272 -0.242 1.00 0.00 C ATOM 448 O GLY A 31 8.717 1.374 0.965 1.00 0.00 O ATOM 0 H GLY A 31 9.493 0.571 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.524 -0.470 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.679 0.724 -0.587 1.00 0.00 H new ATOM 452 N LYS A 32 7.570 1.729 -0.872 1.00 0.00 N ATOM 453 CA LYS A 32 6.468 2.388 -0.113 1.00 0.00 C ATOM 454 C LYS A 32 5.114 1.912 -0.647 1.00 0.00 C ATOM 455 O LYS A 32 5.004 1.480 -1.774 1.00 0.00 O ATOM 456 CB LYS A 32 6.654 3.884 -0.364 1.00 0.00 C ATOM 457 CG LYS A 32 8.111 4.265 -0.093 1.00 0.00 C ATOM 458 CD LYS A 32 8.171 5.666 0.517 1.00 0.00 C ATOM 459 CE LYS A 32 8.014 6.711 -0.590 1.00 0.00 C ATOM 460 NZ LYS A 32 6.669 7.310 -0.365 1.00 0.00 N ATOM 0 H LYS A 32 7.429 1.675 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 32 6.493 2.152 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.388 4.128 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.990 4.458 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.566 3.543 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.683 4.237 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.382 5.785 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.120 5.809 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.797 7.467 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.083 6.254 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.488 8.037 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.943 6.568 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.636 7.743 0.580 1.00 0.00 H new ATOM 474 N CYS A 33 4.086 1.979 0.154 1.00 0.00 N ATOM 475 CA CYS A 33 2.748 1.515 -0.320 1.00 0.00 C ATOM 476 C CYS A 33 1.790 2.698 -0.488 1.00 0.00 C ATOM 477 O CYS A 33 1.631 3.515 0.398 1.00 0.00 O ATOM 478 CB CYS A 33 2.250 0.570 0.774 1.00 0.00 C ATOM 479 SG CYS A 33 0.534 0.103 0.442 1.00 0.00 S ATOM 0 H CYS A 33 4.112 2.332 1.110 1.00 0.00 H new ATOM 0 HA CYS A 33 2.806 1.025 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.878 -0.320 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.323 1.055 1.748 1.00 0.00 H new ATOM 484 N LYS A 34 1.144 2.789 -1.621 1.00 0.00 N ATOM 485 CA LYS A 34 0.187 3.911 -1.857 1.00 0.00 C ATOM 486 C LYS A 34 -1.248 3.419 -1.651 1.00 0.00 C ATOM 487 O LYS A 34 -1.570 2.291 -1.964 1.00 0.00 O ATOM 488 CB LYS A 34 0.393 4.327 -3.318 1.00 0.00 C ATOM 489 CG LYS A 34 1.883 4.302 -3.672 1.00 0.00 C ATOM 490 CD LYS A 34 2.047 4.469 -5.185 1.00 0.00 C ATOM 491 CE LYS A 34 2.014 5.957 -5.542 1.00 0.00 C ATOM 492 NZ LYS A 34 1.282 6.037 -6.839 1.00 0.00 N ATOM 0 H LYS A 34 1.238 2.132 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 34 0.355 4.742 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.156 3.653 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.009 5.327 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.407 5.101 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.330 3.362 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.989 4.027 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.250 3.941 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.508 6.535 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.022 6.361 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.222 7.030 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.790 5.484 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.323 5.653 -6.721 1.00 0.00 H new ATOM 506 N CYS A 35 -2.109 4.252 -1.129 1.00 0.00 N ATOM 507 CA CYS A 35 -3.523 3.824 -0.907 1.00 0.00 C ATOM 508 C CYS A 35 -4.473 5.020 -1.032 1.00 0.00 C ATOM 509 O CYS A 35 -4.156 6.122 -0.629 1.00 0.00 O ATOM 510 CB CYS A 35 -3.544 3.276 0.519 1.00 0.00 C ATOM 511 SG CYS A 35 -2.845 1.607 0.530 1.00 0.00 S ATOM 0 H CYS A 35 -1.896 5.209 -0.847 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.849 3.086 -1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.971 3.927 1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.566 3.257 0.898 1.00 0.00 H new ATOM 516 N TYR A 36 -5.638 4.809 -1.585 1.00 0.00 N ATOM 517 CA TYR A 36 -6.609 5.933 -1.732 1.00 0.00 C ATOM 518 C TYR A 36 -7.502 6.025 -0.484 1.00 0.00 C ATOM 519 O TYR A 36 -8.149 5.061 -0.125 1.00 0.00 O ATOM 520 CB TYR A 36 -7.452 5.573 -2.957 1.00 0.00 C ATOM 521 CG TYR A 36 -6.577 5.566 -4.187 1.00 0.00 C ATOM 522 CD1 TYR A 36 -6.234 6.772 -4.810 1.00 0.00 C ATOM 523 CD2 TYR A 36 -6.108 4.353 -4.704 1.00 0.00 C ATOM 524 CE1 TYR A 36 -5.422 6.764 -5.950 1.00 0.00 C ATOM 525 CE2 TYR A 36 -5.296 4.345 -5.844 1.00 0.00 C ATOM 526 CZ TYR A 36 -4.953 5.551 -6.468 1.00 0.00 C ATOM 527 OH TYR A 36 -4.151 5.544 -7.592 1.00 0.00 O ATOM 0 H TYR A 36 -5.959 3.909 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.110 6.895 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.912 4.595 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.262 6.292 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.596 7.708 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.373 3.423 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.157 7.694 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.934 3.409 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.913 4.621 -7.818 1.00 0.00 H new ATOM 537 N PRO A 37 -7.517 7.178 0.144 1.00 0.00 N ATOM 538 CA PRO A 37 -8.348 7.370 1.357 1.00 0.00 C ATOM 539 C PRO A 37 -9.831 7.172 1.029 1.00 0.00 C ATOM 540 O PRO A 37 -10.348 6.109 1.331 1.00 0.00 O ATOM 541 CB PRO A 37 -8.058 8.824 1.738 1.00 0.00 C ATOM 542 CG PRO A 37 -7.067 9.417 0.720 1.00 0.00 C ATOM 543 CD PRO A 37 -6.715 8.338 -0.314 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.425 8.087 0.481 1.00 0.00 O ATOM 0 HA PRO A 37 -8.125 6.664 2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.981 9.403 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.641 8.874 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.506 10.284 0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.166 9.762 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.984 8.643 -1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.648 8.116 -0.321 1.00 0.00 H new TER 552 PRO A 37