USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=5 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 Single : A 1 VAL N :NH3+ -111:sc= 0.435 (180deg=-1.68) USER MOD Single : A 4 ASN : amide:sc= -0.277 K(o=-0.28,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.88 USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -1.77 (180deg=-2.51!) 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -142:sc= 0 (180deg=-0.0686) USER MOD Single : A 30 ASN : amide:sc= -0.0564 K(o=-0.056,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.0175 (180deg=0.0175) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.286 8.134 0.917 1.00 0.00 N ATOM 2 CA VAL A 1 -2.054 8.347 1.732 1.00 0.00 C ATOM 3 C VAL A 1 -1.078 7.184 1.526 1.00 0.00 C ATOM 4 O VAL A 1 -1.411 6.184 0.920 1.00 0.00 O ATOM 5 CB VAL A 1 -2.541 8.388 3.180 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.038 7.001 3.591 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.385 8.805 4.092 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.319 8.834 0.149 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.273 7.176 0.512 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.125 8.243 1.521 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.525 9.259 1.454 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.355 9.107 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.385 7.030 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.859 6.701 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.224 6.282 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.730 8.835 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.572 8.085 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.029 9.793 3.799 1.00 0.00 H new ATOM 19 N PHE A 2 0.122 7.305 2.025 1.00 0.00 N ATOM 20 CA PHE A 2 1.114 6.203 1.858 1.00 0.00 C ATOM 21 C PHE A 2 1.615 5.730 3.223 1.00 0.00 C ATOM 22 O PHE A 2 1.359 6.347 4.237 1.00 0.00 O ATOM 23 CB PHE A 2 2.265 6.815 1.056 1.00 0.00 C ATOM 24 CG PHE A 2 1.722 7.488 -0.181 1.00 0.00 C ATOM 25 CD1 PHE A 2 1.026 8.696 -0.072 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.918 6.902 -1.436 1.00 0.00 C ATOM 27 CE1 PHE A 2 0.525 9.319 -1.220 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.418 7.525 -2.584 1.00 0.00 C ATOM 29 CZ PHE A 2 0.720 8.735 -2.477 1.00 0.00 C ATOM 0 H PHE A 2 0.459 8.118 2.541 1.00 0.00 H new ATOM 0 HA PHE A 2 0.681 5.338 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.803 7.538 1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.979 6.040 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.875 9.148 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.455 5.969 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.013 10.252 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.570 7.073 -3.553 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.333 9.216 -3.363 1.00 0.00 H new ATOM 39 N ILE A 3 2.333 4.641 3.254 1.00 0.00 N ATOM 40 CA ILE A 3 2.855 4.132 4.556 1.00 0.00 C ATOM 41 C ILE A 3 4.355 3.842 4.438 1.00 0.00 C ATOM 42 O ILE A 3 4.833 3.405 3.408 1.00 0.00 O ATOM 43 CB ILE A 3 2.065 2.845 4.837 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.662 1.684 4.030 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.596 3.045 4.444 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.668 0.522 3.974 1.00 0.00 C ATOM 0 H ILE A 3 2.581 4.082 2.437 1.00 0.00 H new ATOM 0 HA ILE A 3 2.734 4.854 5.363 1.00 0.00 H new ATOM 0 HB ILE A 3 2.125 2.612 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.902 2.017 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.595 1.354 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.038 2.130 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.172 3.864 5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.533 3.283 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.099 -0.298 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.450 0.181 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.746 0.854 3.496 1.00 0.00 H new ATOM 58 N ASN A 4 5.100 4.084 5.484 1.00 0.00 N ATOM 59 CA ASN A 4 6.567 3.826 5.432 1.00 0.00 C ATOM 60 C ASN A 4 6.841 2.323 5.329 1.00 0.00 C ATOM 61 O ASN A 4 7.940 1.903 5.022 1.00 0.00 O ATOM 62 CB ASN A 4 7.116 4.384 6.746 1.00 0.00 C ATOM 63 CG ASN A 4 6.738 3.453 7.900 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.381 2.446 8.118 1.00 0.00 O ATOM 65 ND2 ASN A 4 5.716 3.752 8.654 1.00 0.00 N ATOM 0 H ASN A 4 4.755 4.449 6.372 1.00 0.00 H new ATOM 0 HA ASN A 4 7.035 4.291 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.200 4.483 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.715 5.382 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.456 3.140 9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.177 4.598 8.470 1.00 0.00 H new ATOM 72 N ALA A 5 5.853 1.509 5.579 1.00 0.00 N ATOM 73 CA ALA A 5 6.063 0.036 5.490 1.00 0.00 C ATOM 74 C ALA A 5 6.858 -0.302 4.227 1.00 0.00 C ATOM 75 O ALA A 5 6.339 -0.275 3.129 1.00 0.00 O ATOM 76 CB ALA A 5 4.657 -0.560 5.420 1.00 0.00 C ATOM 0 H ALA A 5 4.911 1.799 5.841 1.00 0.00 H new ATOM 0 HA ALA A 5 6.627 -0.357 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.725 -1.646 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.101 -0.286 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.141 -0.173 4.541 1.00 0.00 H new ATOM 82 N LYS A 6 8.117 -0.618 4.373 1.00 0.00 N ATOM 83 CA LYS A 6 8.943 -0.952 3.177 1.00 0.00 C ATOM 84 C LYS A 6 8.287 -2.079 2.378 1.00 0.00 C ATOM 85 O LYS A 6 8.560 -3.244 2.589 1.00 0.00 O ATOM 86 CB LYS A 6 10.292 -1.407 3.737 1.00 0.00 C ATOM 87 CG LYS A 6 11.113 -0.182 4.142 1.00 0.00 C ATOM 88 CD LYS A 6 10.801 0.180 5.594 1.00 0.00 C ATOM 89 CE LYS A 6 11.936 1.033 6.166 1.00 0.00 C ATOM 90 NZ LYS A 6 12.774 0.083 6.950 1.00 0.00 N ATOM 0 H LYS A 6 8.608 -0.659 5.266 1.00 0.00 H new ATOM 0 HA LYS A 6 9.049 -0.103 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.140 -2.058 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.831 -1.989 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.177 -0.389 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.880 0.658 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.859 0.726 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.679 -0.726 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.513 1.506 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.549 1.832 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.574 0.594 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.200 -0.347 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.134 -0.663 6.321 1.00 0.00 H new ATOM 104 N CYS A 7 7.425 -1.744 1.459 1.00 0.00 N ATOM 105 CA CYS A 7 6.756 -2.800 0.647 1.00 0.00 C ATOM 106 C CYS A 7 7.731 -3.352 -0.397 1.00 0.00 C ATOM 107 O CYS A 7 8.654 -2.680 -0.814 1.00 0.00 O ATOM 108 CB CYS A 7 5.579 -2.099 -0.031 1.00 0.00 C ATOM 109 SG CYS A 7 6.195 -0.728 -1.039 1.00 0.00 S ATOM 0 H CYS A 7 7.155 -0.786 1.235 1.00 0.00 H new ATOM 0 HA CYS A 7 6.426 -3.643 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.031 -2.805 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.881 -1.728 0.720 1.00 0.00 H new ATOM 114 N ARG A 8 7.542 -4.572 -0.820 1.00 0.00 N ATOM 115 CA ARG A 8 8.468 -5.160 -1.828 1.00 0.00 C ATOM 116 C ARG A 8 7.686 -5.753 -3.004 1.00 0.00 C ATOM 117 O ARG A 8 8.257 -6.134 -4.007 1.00 0.00 O ATOM 118 CB ARG A 8 9.216 -6.264 -1.079 1.00 0.00 C ATOM 119 CG ARG A 8 10.089 -5.641 0.011 1.00 0.00 C ATOM 120 CD ARG A 8 11.485 -5.361 -0.551 1.00 0.00 C ATOM 121 NE ARG A 8 12.062 -6.705 -0.833 1.00 0.00 N ATOM 122 CZ ARG A 8 12.758 -6.901 -1.919 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.295 -6.503 -3.072 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.918 -7.495 -1.853 1.00 0.00 N ATOM 0 H ARG A 8 6.788 -5.186 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 8 9.142 -4.412 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.506 -6.963 -0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.834 -6.834 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.637 -4.716 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.158 -6.314 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.432 -4.756 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.096 -4.811 0.165 1.00 0.00 H new ATOM 0 HE ARG A 8 11.913 -7.472 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.389 -6.038 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.840 -6.656 -3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.281 -7.806 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.462 -7.648 -2.702 1.00 0.00 H new ATOM 138 N GLY A 9 6.390 -5.845 -2.892 1.00 0.00 N ATOM 139 CA GLY A 9 5.593 -6.425 -4.010 1.00 0.00 C ATOM 140 C GLY A 9 4.286 -5.651 -4.182 1.00 0.00 C ATOM 141 O GLY A 9 3.560 -5.414 -3.237 1.00 0.00 O ATOM 0 H GLY A 9 5.850 -5.546 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.170 -6.390 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.379 -7.474 -3.808 1.00 0.00 H new ATOM 145 N SER A 10 3.977 -5.264 -5.390 1.00 0.00 N ATOM 146 CA SER A 10 2.715 -4.513 -5.641 1.00 0.00 C ATOM 147 C SER A 10 1.515 -5.221 -4.990 1.00 0.00 C ATOM 148 O SER A 10 0.732 -4.591 -4.307 1.00 0.00 O ATOM 149 CB SER A 10 2.571 -4.487 -7.163 1.00 0.00 C ATOM 150 OG SER A 10 1.296 -5.000 -7.530 1.00 0.00 O ATOM 0 H SER A 10 4.548 -5.437 -6.217 1.00 0.00 H new ATOM 0 HA SER A 10 2.744 -3.511 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.684 -3.468 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.360 -5.082 -7.623 1.00 0.00 H new ATOM 0 HG SER A 10 1.204 -4.981 -8.506 1.00 0.00 H new ATOM 156 N PRO A 11 1.394 -6.508 -5.225 1.00 0.00 N ATOM 157 CA PRO A 11 0.265 -7.281 -4.651 1.00 0.00 C ATOM 158 C PRO A 11 0.336 -7.293 -3.122 1.00 0.00 C ATOM 159 O PRO A 11 -0.650 -7.518 -2.448 1.00 0.00 O ATOM 160 CB PRO A 11 0.485 -8.681 -5.229 1.00 0.00 C ATOM 161 CG PRO A 11 1.740 -8.656 -6.123 1.00 0.00 C ATOM 162 CD PRO A 11 2.362 -7.256 -6.062 1.00 0.00 C ATOM 0 HA PRO A 11 -0.714 -6.867 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.609 -9.406 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.385 -8.992 -5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.458 -9.403 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.477 -8.908 -7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.356 -7.273 -5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.466 -6.815 -7.053 1.00 0.00 H new ATOM 170 N GLU A 12 1.490 -7.045 -2.567 1.00 0.00 N ATOM 171 CA GLU A 12 1.612 -7.034 -1.081 1.00 0.00 C ATOM 172 C GLU A 12 1.006 -5.744 -0.526 1.00 0.00 C ATOM 173 O GLU A 12 0.476 -5.710 0.570 1.00 0.00 O ATOM 174 CB GLU A 12 3.116 -7.088 -0.804 1.00 0.00 C ATOM 175 CG GLU A 12 3.426 -8.266 0.121 1.00 0.00 C ATOM 176 CD GLU A 12 3.791 -9.494 -0.715 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.839 -9.471 -1.338 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.015 -10.435 -0.719 1.00 0.00 O ATOM 0 H GLU A 12 2.352 -6.850 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 12 1.088 -7.866 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.665 -7.193 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.445 -6.156 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.249 -8.010 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.563 -8.485 0.749 1.00 0.00 H new ATOM 185 N CYS A 13 1.075 -4.682 -1.282 1.00 0.00 N ATOM 186 CA CYS A 13 0.500 -3.391 -0.812 1.00 0.00 C ATOM 187 C CYS A 13 -1.026 -3.491 -0.742 1.00 0.00 C ATOM 188 O CYS A 13 -1.673 -2.747 -0.032 1.00 0.00 O ATOM 189 CB CYS A 13 0.925 -2.361 -1.858 1.00 0.00 C ATOM 190 SG CYS A 13 2.133 -1.224 -1.131 1.00 0.00 S ATOM 0 H CYS A 13 1.506 -4.654 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 13 0.848 -3.121 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.357 -2.863 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.056 -1.807 -2.212 1.00 0.00 H new ATOM 195 N LEU A 14 -1.608 -4.409 -1.467 1.00 0.00 N ATOM 196 CA LEU A 14 -3.091 -4.551 -1.426 1.00 0.00 C ATOM 197 C LEU A 14 -3.534 -4.969 -0.019 1.00 0.00 C ATOM 198 O LEU A 14 -4.287 -4.260 0.619 1.00 0.00 O ATOM 199 CB LEU A 14 -3.430 -5.626 -2.458 1.00 0.00 C ATOM 200 CG LEU A 14 -4.221 -4.995 -3.605 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.258 -4.295 -4.567 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.989 -6.085 -4.356 1.00 0.00 C ATOM 0 H LEU A 14 -1.123 -5.063 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.605 -3.617 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.516 -6.082 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.013 -6.421 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.924 -4.266 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.822 -3.846 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.711 -3.518 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.553 -5.023 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.553 -5.635 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.286 -6.814 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.676 -6.583 -3.672 1.00 0.00 H new ATOM 214 N PRO A 15 -3.039 -6.095 0.441 1.00 0.00 N ATOM 215 CA PRO A 15 -3.389 -6.566 1.800 1.00 0.00 C ATOM 216 C PRO A 15 -2.973 -5.509 2.826 1.00 0.00 C ATOM 217 O PRO A 15 -3.604 -5.336 3.849 1.00 0.00 O ATOM 218 CB PRO A 15 -2.549 -7.840 1.944 1.00 0.00 C ATOM 219 CG PRO A 15 -1.744 -8.050 0.648 1.00 0.00 C ATOM 220 CD PRO A 15 -2.122 -6.948 -0.353 1.00 0.00 C ATOM 0 HA PRO A 15 -4.453 -6.745 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.876 -7.754 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.194 -8.699 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.675 -8.018 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.957 -9.032 0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.248 -6.394 -0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.610 -7.354 -1.239 1.00 0.00 H new ATOM 228 N LYS A 16 -1.913 -4.795 2.548 1.00 0.00 N ATOM 229 CA LYS A 16 -1.450 -3.741 3.495 1.00 0.00 C ATOM 230 C LYS A 16 -2.426 -2.561 3.487 1.00 0.00 C ATOM 231 O LYS A 16 -2.958 -2.179 4.512 1.00 0.00 O ATOM 232 CB LYS A 16 -0.083 -3.308 2.967 1.00 0.00 C ATOM 233 CG LYS A 16 0.900 -4.474 3.081 1.00 0.00 C ATOM 234 CD LYS A 16 1.546 -4.458 4.467 1.00 0.00 C ATOM 235 CE LYS A 16 2.574 -3.326 4.538 1.00 0.00 C ATOM 236 NZ LYS A 16 2.018 -2.364 5.531 1.00 0.00 N ATOM 0 H LYS A 16 -1.348 -4.898 1.705 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.394 -4.102 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.167 -2.989 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.284 -2.452 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.381 -5.419 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.666 -4.396 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.784 -4.320 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.029 -5.415 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.550 -3.698 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.710 -2.855 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.409 -1.417 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.982 -2.333 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.274 -2.670 6.491 1.00 0.00 H new ATOM 250 N CYS A 17 -2.673 -1.983 2.341 1.00 0.00 N ATOM 251 CA CYS A 17 -3.623 -0.838 2.285 1.00 0.00 C ATOM 252 C CYS A 17 -4.914 -1.228 3.001 1.00 0.00 C ATOM 253 O CYS A 17 -5.425 -0.502 3.829 1.00 0.00 O ATOM 254 CB CYS A 17 -3.882 -0.600 0.795 1.00 0.00 C ATOM 255 SG CYS A 17 -2.380 0.042 0.011 1.00 0.00 S ATOM 0 H CYS A 17 -2.260 -2.253 1.448 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.234 0.059 2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.185 -1.531 0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.702 0.107 0.667 1.00 0.00 H new ATOM 260 N LYS A 18 -5.428 -2.388 2.700 1.00 0.00 N ATOM 261 CA LYS A 18 -6.673 -2.845 3.375 1.00 0.00 C ATOM 262 C LYS A 18 -6.439 -2.893 4.885 1.00 0.00 C ATOM 263 O LYS A 18 -7.319 -2.616 5.673 1.00 0.00 O ATOM 264 CB LYS A 18 -6.935 -4.246 2.824 1.00 0.00 C ATOM 265 CG LYS A 18 -8.029 -4.924 3.649 1.00 0.00 C ATOM 266 CD LYS A 18 -7.430 -6.102 4.420 1.00 0.00 C ATOM 267 CE LYS A 18 -8.503 -6.731 5.311 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.329 -8.200 5.142 1.00 0.00 N ATOM 0 H LYS A 18 -5.040 -3.038 2.017 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.519 -2.182 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.238 -4.186 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.020 -4.838 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.472 -4.209 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.829 -5.272 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.040 -6.845 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.591 -5.763 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.375 -6.435 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.502 -6.414 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.031 -8.702 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.463 -8.453 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.372 -8.473 5.443 1.00 0.00 H new ATOM 282 N GLU A 19 -5.245 -3.235 5.290 1.00 0.00 N ATOM 283 CA GLU A 19 -4.934 -3.291 6.745 1.00 0.00 C ATOM 284 C GLU A 19 -4.603 -1.883 7.248 1.00 0.00 C ATOM 285 O GLU A 19 -4.602 -1.617 8.433 1.00 0.00 O ATOM 286 CB GLU A 19 -3.713 -4.208 6.851 1.00 0.00 C ATOM 287 CG GLU A 19 -3.078 -4.064 8.235 1.00 0.00 C ATOM 288 CD GLU A 19 -1.712 -3.386 8.102 1.00 0.00 C ATOM 289 OE1 GLU A 19 -0.918 -3.850 7.300 1.00 0.00 O ATOM 290 OE2 GLU A 19 -1.482 -2.416 8.806 1.00 0.00 O ATOM 0 H GLU A 19 -4.470 -3.478 4.673 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.766 -3.661 7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.008 -5.244 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.987 -3.953 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.726 -3.476 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.966 -5.044 8.699 1.00 0.00 H new ATOM 297 N ALA A 20 -4.325 -0.979 6.347 1.00 0.00 N ATOM 298 CA ALA A 20 -3.996 0.415 6.762 1.00 0.00 C ATOM 299 C ALA A 20 -5.276 1.248 6.878 1.00 0.00 C ATOM 300 O ALA A 20 -5.584 1.785 7.924 1.00 0.00 O ATOM 301 CB ALA A 20 -3.101 0.961 5.650 1.00 0.00 C ATOM 0 H ALA A 20 -4.312 -1.146 5.341 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.504 0.450 7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.816 1.987 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.206 0.345 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.643 0.941 4.704 1.00 0.00 H new ATOM 307 N ILE A 21 -6.029 1.359 5.816 1.00 0.00 N ATOM 308 CA ILE A 21 -7.288 2.158 5.882 1.00 0.00 C ATOM 309 C ILE A 21 -8.506 1.228 5.919 1.00 0.00 C ATOM 310 O ILE A 21 -9.533 1.564 6.474 1.00 0.00 O ATOM 311 CB ILE A 21 -7.305 3.018 4.615 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.991 2.139 3.388 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.279 4.151 4.753 1.00 0.00 C ATOM 314 CD1 ILE A 21 -5.496 2.186 3.046 1.00 0.00 C ATOM 0 H ILE A 21 -5.829 0.934 4.911 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.328 2.774 6.781 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.293 3.458 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.290 1.110 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.574 2.480 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.290 4.764 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.532 4.768 5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.285 3.727 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.302 1.558 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.206 3.213 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.917 1.821 3.894 1.00 0.00 H new ATOM 326 N GLY A 22 -8.400 0.063 5.339 1.00 0.00 N ATOM 327 CA GLY A 22 -9.557 -0.877 5.356 1.00 0.00 C ATOM 328 C GLY A 22 -9.804 -1.431 3.949 1.00 0.00 C ATOM 329 O GLY A 22 -10.508 -2.405 3.773 1.00 0.00 O ATOM 0 H GLY A 22 -7.568 -0.277 4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.361 -1.695 6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.449 -0.363 5.715 1.00 0.00 H new ATOM 333 N LYS A 23 -9.236 -0.819 2.945 1.00 0.00 N ATOM 334 CA LYS A 23 -9.450 -1.318 1.554 1.00 0.00 C ATOM 335 C LYS A 23 -8.119 -1.738 0.924 1.00 0.00 C ATOM 336 O LYS A 23 -7.090 -1.140 1.164 1.00 0.00 O ATOM 337 CB LYS A 23 -10.052 -0.134 0.796 1.00 0.00 C ATOM 338 CG LYS A 23 -11.430 0.195 1.375 1.00 0.00 C ATOM 339 CD LYS A 23 -12.514 -0.214 0.376 1.00 0.00 C ATOM 340 CE LYS A 23 -12.528 0.769 -0.796 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.400 0.130 -1.820 1.00 0.00 N ATOM 0 H LYS A 23 -8.635 0.001 3.026 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.099 -2.193 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.396 0.733 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.139 -0.373 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.574 -0.330 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.501 1.261 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.326 -1.225 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.488 -0.226 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.920 1.740 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.523 0.938 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.460 0.744 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.998 -0.789 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.352 -0.012 -1.426 1.00 0.00 H new ATOM 355 N ALA A 24 -8.134 -2.766 0.119 1.00 0.00 N ATOM 356 CA ALA A 24 -6.872 -3.229 -0.528 1.00 0.00 C ATOM 357 C ALA A 24 -6.671 -2.522 -1.872 1.00 0.00 C ATOM 358 O ALA A 24 -6.672 -3.144 -2.916 1.00 0.00 O ATOM 359 CB ALA A 24 -7.064 -4.730 -0.735 1.00 0.00 C ATOM 0 H ALA A 24 -8.966 -3.306 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.993 -3.008 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.176 -5.149 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.223 -5.213 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.930 -4.901 -1.374 1.00 0.00 H new ATOM 365 N ALA A 25 -6.496 -1.228 -1.855 1.00 0.00 N ATOM 366 CA ALA A 25 -6.292 -0.486 -3.135 1.00 0.00 C ATOM 367 C ALA A 25 -5.053 0.410 -3.037 1.00 0.00 C ATOM 368 O ALA A 25 -5.077 1.454 -2.416 1.00 0.00 O ATOM 369 CB ALA A 25 -7.553 0.360 -3.312 1.00 0.00 C ATOM 0 H ALA A 25 -6.485 -0.653 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.132 -1.158 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.478 0.936 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.425 -0.292 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.656 1.040 -2.467 1.00 0.00 H new ATOM 375 N GLY A 26 -3.971 0.008 -3.647 1.00 0.00 N ATOM 376 CA GLY A 26 -2.731 0.832 -3.592 1.00 0.00 C ATOM 377 C GLY A 26 -1.595 0.087 -4.295 1.00 0.00 C ATOM 378 O GLY A 26 -1.765 -1.020 -4.766 1.00 0.00 O ATOM 0 H GLY A 26 -3.893 -0.857 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.900 1.796 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.461 1.035 -2.555 1.00 0.00 H new ATOM 382 N LYS A 27 -0.437 0.682 -4.369 1.00 0.00 N ATOM 383 CA LYS A 27 0.710 0.002 -5.041 1.00 0.00 C ATOM 384 C LYS A 27 1.981 0.178 -4.208 1.00 0.00 C ATOM 385 O LYS A 27 1.953 0.731 -3.126 1.00 0.00 O ATOM 386 CB LYS A 27 0.855 0.703 -6.393 1.00 0.00 C ATOM 387 CG LYS A 27 -0.528 0.946 -7.004 1.00 0.00 C ATOM 388 CD LYS A 27 -0.411 0.993 -8.527 1.00 0.00 C ATOM 389 CE LYS A 27 -0.695 2.416 -9.018 1.00 0.00 C ATOM 390 NZ LYS A 27 0.640 3.073 -9.087 1.00 0.00 N ATOM 0 H LYS A 27 -0.234 1.609 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 27 0.546 -1.069 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.378 1.651 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.458 0.093 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.214 0.153 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.943 1.883 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.588 0.683 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.115 0.294 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.182 2.407 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.360 2.944 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.528 4.053 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.076 3.073 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.249 2.553 -9.750 1.00 0.00 H new ATOM 404 N CYS A 28 3.097 -0.285 -4.702 1.00 0.00 N ATOM 405 CA CYS A 28 4.365 -0.136 -3.934 1.00 0.00 C ATOM 406 C CYS A 28 5.435 0.532 -4.799 1.00 0.00 C ATOM 407 O CYS A 28 5.848 0.004 -5.814 1.00 0.00 O ATOM 408 CB CYS A 28 4.782 -1.563 -3.577 1.00 0.00 C ATOM 409 SG CYS A 28 6.448 -1.541 -2.871 1.00 0.00 S ATOM 0 H CYS A 28 3.185 -0.758 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 28 4.238 0.487 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.078 -1.992 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.760 -2.194 -4.466 1.00 0.00 H new ATOM 414 N MET A 29 5.892 1.690 -4.407 1.00 0.00 N ATOM 415 CA MET A 29 6.937 2.388 -5.210 1.00 0.00 C ATOM 416 C MET A 29 7.820 3.247 -4.301 1.00 0.00 C ATOM 417 O MET A 29 7.449 3.581 -3.193 1.00 0.00 O ATOM 418 CB MET A 29 6.162 3.270 -6.192 1.00 0.00 C ATOM 419 CG MET A 29 5.945 2.508 -7.499 1.00 0.00 C ATOM 420 SD MET A 29 5.663 3.687 -8.844 1.00 0.00 S ATOM 421 CE MET A 29 7.400 4.060 -9.189 1.00 0.00 C ATOM 0 H MET A 29 5.588 2.182 -3.567 1.00 0.00 H new ATOM 0 HA MET A 29 7.596 1.688 -5.723 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.202 3.556 -5.761 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.713 4.191 -6.383 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.814 1.889 -7.720 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.091 1.837 -7.404 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.505 5.119 -9.426 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.004 3.823 -8.313 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.739 3.463 -10.036 1.00 0.00 H new ATOM 431 N ASN A 30 8.986 3.608 -4.763 1.00 0.00 N ATOM 432 CA ASN A 30 9.897 4.445 -3.930 1.00 0.00 C ATOM 433 C ASN A 30 10.066 3.825 -2.540 1.00 0.00 C ATOM 434 O ASN A 30 10.371 4.502 -1.579 1.00 0.00 O ATOM 435 CB ASN A 30 9.207 5.806 -3.833 1.00 0.00 C ATOM 436 CG ASN A 30 9.461 6.597 -5.118 1.00 0.00 C ATOM 437 OD1 ASN A 30 10.186 6.150 -5.985 1.00 0.00 O ATOM 438 ND2 ASN A 30 8.893 7.761 -5.279 1.00 0.00 N ATOM 0 H ASN A 30 9.348 3.359 -5.683 1.00 0.00 H new ATOM 0 HA ASN A 30 10.894 4.525 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.136 5.673 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.586 6.358 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.058 8.295 -6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.284 8.136 -4.552 1.00 0.00 H new ATOM 445 N GLY A 31 9.871 2.539 -2.427 1.00 0.00 N ATOM 446 CA GLY A 31 10.023 1.874 -1.101 1.00 0.00 C ATOM 447 C GLY A 31 8.892 2.315 -0.170 1.00 0.00 C ATOM 448 O GLY A 31 9.104 2.572 0.999 1.00 0.00 O ATOM 0 H GLY A 31 9.613 1.920 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.005 0.791 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.988 2.130 -0.663 1.00 0.00 H new ATOM 452 N LYS A 32 7.692 2.402 -0.676 1.00 0.00 N ATOM 453 CA LYS A 32 6.546 2.823 0.182 1.00 0.00 C ATOM 454 C LYS A 32 5.231 2.319 -0.416 1.00 0.00 C ATOM 455 O LYS A 32 5.163 1.974 -1.580 1.00 0.00 O ATOM 456 CB LYS A 32 6.588 4.352 0.180 1.00 0.00 C ATOM 457 CG LYS A 32 7.891 4.831 0.821 1.00 0.00 C ATOM 458 CD LYS A 32 7.782 6.320 1.152 1.00 0.00 C ATOM 459 CE LYS A 32 9.021 6.766 1.930 1.00 0.00 C ATOM 460 NZ LYS A 32 8.587 6.795 3.355 1.00 0.00 N ATOM 0 H LYS A 32 7.455 2.200 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 32 6.613 2.418 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.514 4.726 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.734 4.750 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.094 4.260 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.727 4.659 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.688 6.901 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.884 6.507 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.850 6.074 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.363 7.747 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.383 7.092 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.801 7.467 3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.274 5.846 3.642 1.00 0.00 H new ATOM 474 N CYS A 33 4.186 2.272 0.365 1.00 0.00 N ATOM 475 CA CYS A 33 2.878 1.787 -0.172 1.00 0.00 C ATOM 476 C CYS A 33 1.980 2.973 -0.525 1.00 0.00 C ATOM 477 O CYS A 33 1.844 3.910 0.236 1.00 0.00 O ATOM 478 CB CYS A 33 2.258 0.970 0.960 1.00 0.00 C ATOM 479 SG CYS A 33 1.080 -0.222 0.273 1.00 0.00 S ATOM 0 H CYS A 33 4.179 2.547 1.347 1.00 0.00 H new ATOM 0 HA CYS A 33 3.001 1.197 -1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.038 0.448 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.753 1.631 1.665 1.00 0.00 H new ATOM 484 N LYS A 34 1.365 2.940 -1.674 1.00 0.00 N ATOM 485 CA LYS A 34 0.474 4.068 -2.072 1.00 0.00 C ATOM 486 C LYS A 34 -0.993 3.640 -1.987 1.00 0.00 C ATOM 487 O LYS A 34 -1.581 3.211 -2.960 1.00 0.00 O ATOM 488 CB LYS A 34 0.851 4.391 -3.521 1.00 0.00 C ATOM 489 CG LYS A 34 2.372 4.317 -3.694 1.00 0.00 C ATOM 490 CD LYS A 34 2.733 4.581 -5.155 1.00 0.00 C ATOM 491 CE LYS A 34 3.513 5.894 -5.259 1.00 0.00 C ATOM 492 NZ LYS A 34 3.757 6.079 -6.716 1.00 0.00 N ATOM 0 H LYS A 34 1.440 2.183 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 34 0.594 4.932 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.365 3.688 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.494 5.386 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.858 5.050 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.736 3.335 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.331 3.758 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.828 4.634 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.943 6.726 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.450 5.842 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.288 6.960 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.307 5.275 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.847 6.132 -7.216 1.00 0.00 H new ATOM 506 N CYS A 35 -1.591 3.754 -0.832 1.00 0.00 N ATOM 507 CA CYS A 35 -3.022 3.358 -0.694 1.00 0.00 C ATOM 508 C CYS A 35 -3.927 4.567 -0.949 1.00 0.00 C ATOM 509 O CYS A 35 -3.676 5.655 -0.467 1.00 0.00 O ATOM 510 CB CYS A 35 -3.169 2.874 0.749 1.00 0.00 C ATOM 511 SG CYS A 35 -1.880 1.657 1.119 1.00 0.00 S ATOM 0 H CYS A 35 -1.152 4.103 0.020 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.307 2.586 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.094 3.718 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.154 2.431 0.896 1.00 0.00 H new ATOM 516 N TYR A 36 -4.974 4.387 -1.704 1.00 0.00 N ATOM 517 CA TYR A 36 -5.893 5.527 -1.992 1.00 0.00 C ATOM 518 C TYR A 36 -7.176 5.399 -1.157 1.00 0.00 C ATOM 519 O TYR A 36 -7.947 4.481 -1.359 1.00 0.00 O ATOM 520 CB TYR A 36 -6.216 5.399 -3.482 1.00 0.00 C ATOM 521 CG TYR A 36 -5.245 6.228 -4.287 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.901 6.306 -3.901 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.687 6.917 -5.423 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.001 7.073 -4.650 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.786 7.684 -6.171 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.444 7.762 -5.785 1.00 0.00 C ATOM 527 OH TYR A 36 -2.557 8.519 -6.525 1.00 0.00 O ATOM 0 H TYR A 36 -5.235 3.500 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.447 6.491 -1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.158 4.354 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.237 5.731 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.559 5.774 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.723 6.857 -5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.965 7.133 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.127 8.216 -7.047 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.028 8.930 -7.280 1.00 0.00 H new ATOM 537 N PRO A 37 -7.375 6.319 -0.240 1.00 0.00 N ATOM 538 CA PRO A 37 -8.583 6.286 0.618 1.00 0.00 C ATOM 539 C PRO A 37 -9.849 6.392 -0.237 1.00 0.00 C ATOM 540 O PRO A 37 -10.505 7.418 -0.165 1.00 0.00 O ATOM 541 CB PRO A 37 -8.406 7.526 1.502 1.00 0.00 C ATOM 542 CG PRO A 37 -7.090 8.228 1.112 1.00 0.00 C ATOM 543 CD PRO A 37 -6.419 7.430 -0.014 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.138 5.445 -0.950 1.00 0.00 O ATOM 0 HA PRO A 37 -8.689 5.365 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.249 8.205 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.384 7.240 2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.289 9.248 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.427 8.294 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.280 8.034 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.435 7.064 0.280 1.00 0.00 H new TER 552 PRO A 37