USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 278 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.00604 K(o=-0.006,f=-0.73) USER MOD Single : A 16 HIS : no HD1:sc= -2.98! C(o=-3!,f=-3.9!) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0461) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 1.17 K(o=1.2,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -5.598 -1.491 4.657 1.00 0.00 N ATOM 11 CA ILE A 2 -4.613 -2.233 3.902 1.00 0.00 C ATOM 12 C ILE A 2 -4.848 -3.728 3.984 1.00 0.00 C ATOM 13 O ILE A 2 -4.834 -4.335 5.065 1.00 0.00 O ATOM 14 CB ILE A 2 -3.165 -1.874 4.298 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.967 -1.932 5.824 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.789 -0.522 3.735 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.603 -1.503 6.302 1.00 0.00 C ATOM 0 HA ILE A 2 -4.740 -1.932 2.862 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.496 -2.618 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.718 -1.300 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.150 -2.952 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.765 -0.280 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.865 -0.546 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.465 0.237 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.558 -1.577 7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.843 -2.150 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.420 -0.472 6.001 1.00 0.00 H new ATOM 29 N THR A 3 -5.098 -4.287 2.848 1.00 0.00 N ATOM 30 CA THR A 3 -5.379 -5.676 2.683 1.00 0.00 C ATOM 31 C THR A 3 -4.543 -6.119 1.493 1.00 0.00 C ATOM 32 O THR A 3 -4.156 -5.270 0.692 1.00 0.00 O ATOM 33 CB THR A 3 -6.883 -5.836 2.338 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.662 -4.987 3.210 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.348 -7.273 2.516 1.00 0.00 C ATOM 0 H THR A 3 -5.113 -3.767 1.971 1.00 0.00 H new ATOM 0 HA THR A 3 -5.155 -6.258 3.577 1.00 0.00 H new ATOM 0 HB THR A 3 -7.021 -5.555 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.613 -5.083 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.406 -7.347 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.773 -7.925 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.198 -7.578 3.552 1.00 0.00 H new ATOM 43 N CYS A 4 -4.236 -7.372 1.376 1.00 0.00 N ATOM 44 CA CYS A 4 -3.486 -7.817 0.238 1.00 0.00 C ATOM 45 C CYS A 4 -4.235 -8.897 -0.505 1.00 0.00 C ATOM 46 O CYS A 4 -4.155 -10.090 -0.169 1.00 0.00 O ATOM 47 CB CYS A 4 -2.071 -8.263 0.625 1.00 0.00 C ATOM 48 SG CYS A 4 -1.051 -6.935 1.365 1.00 0.00 S ATOM 0 H CYS A 4 -4.488 -8.100 2.044 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.369 -6.969 -0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.142 -9.090 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.565 -8.644 -0.262 1.00 0.00 H new ATOM 53 N ASP A 5 -5.018 -8.476 -1.462 1.00 0.00 N ATOM 54 CA ASP A 5 -5.763 -9.375 -2.328 1.00 0.00 C ATOM 55 C ASP A 5 -4.838 -9.726 -3.472 1.00 0.00 C ATOM 56 O ASP A 5 -4.805 -10.861 -3.967 1.00 0.00 O ATOM 57 CB ASP A 5 -7.029 -8.668 -2.847 1.00 0.00 C ATOM 58 CG ASP A 5 -7.932 -9.537 -3.703 1.00 0.00 C ATOM 59 OD1 ASP A 5 -8.863 -10.175 -3.156 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.760 -9.574 -4.940 1.00 0.00 O ATOM 0 H ASP A 5 -5.164 -7.488 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.084 -10.273 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.601 -8.303 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.730 -7.795 -3.428 1.00 0.00 H new ATOM 65 N LEU A 6 -4.049 -8.746 -3.847 1.00 0.00 N ATOM 66 CA LEU A 6 -3.018 -8.878 -4.824 1.00 0.00 C ATOM 67 C LEU A 6 -1.784 -8.211 -4.271 1.00 0.00 C ATOM 68 O LEU A 6 -1.838 -7.563 -3.236 1.00 0.00 O ATOM 69 CB LEU A 6 -3.413 -8.198 -6.144 1.00 0.00 C ATOM 70 CG LEU A 6 -4.594 -8.799 -6.907 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.899 -7.962 -8.135 1.00 0.00 C ATOM 72 CD2 LEU A 6 -4.294 -10.238 -7.311 1.00 0.00 C ATOM 0 H LEU A 6 -4.118 -7.805 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.844 -9.934 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.643 -7.154 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.545 -8.206 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.466 -8.800 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.741 -8.398 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.149 -6.946 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.025 -7.940 -8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.146 -10.649 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.412 -10.260 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.109 -10.836 -6.418 1.00 0.00 H new ATOM 84 N ILE A 7 -0.688 -8.393 -4.920 1.00 0.00 N ATOM 85 CA ILE A 7 0.534 -7.736 -4.558 1.00 0.00 C ATOM 86 C ILE A 7 0.962 -6.849 -5.719 1.00 0.00 C ATOM 87 O ILE A 7 0.866 -7.249 -6.873 1.00 0.00 O ATOM 88 CB ILE A 7 1.648 -8.762 -4.184 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.222 -9.562 -2.940 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.995 -8.083 -3.972 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.283 -10.500 -2.396 1.00 0.00 C ATOM 0 H ILE A 7 -0.606 -9.009 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 7 0.370 -7.125 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 7 1.774 -9.451 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.938 -8.862 -2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.333 -10.144 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.743 -8.832 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.294 -7.573 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.913 -7.357 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.894 -11.021 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.552 -11.228 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.166 -9.926 -2.114 1.00 0.00 H new ATOM 103 N GLY A 8 1.325 -5.612 -5.421 1.00 0.00 N ATOM 104 CA GLY A 8 1.758 -4.672 -6.454 1.00 0.00 C ATOM 105 C GLY A 8 0.583 -3.953 -7.103 1.00 0.00 C ATOM 106 O GLY A 8 0.558 -2.725 -7.205 1.00 0.00 O ATOM 0 H GLY A 8 1.330 -5.231 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.434 -3.938 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.321 -5.208 -7.218 1.00 0.00 H new ATOM 110 N ASN A 9 -0.417 -4.725 -7.466 1.00 0.00 N ATOM 111 CA ASN A 9 -1.631 -4.223 -8.133 1.00 0.00 C ATOM 112 C ASN A 9 -2.664 -3.889 -7.102 1.00 0.00 C ATOM 113 O ASN A 9 -3.806 -3.543 -7.409 1.00 0.00 O ATOM 114 CB ASN A 9 -2.191 -5.285 -9.082 1.00 0.00 C ATOM 115 CG ASN A 9 -1.359 -5.464 -10.336 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.777 -4.509 -10.856 1.00 0.00 O ATOM 117 ND2 ASN A 9 -1.255 -6.676 -10.808 1.00 0.00 N ATOM 0 H ASN A 9 -0.425 -5.733 -7.311 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.376 -3.331 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.252 -6.237 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.208 -5.011 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.679 -6.855 -11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.749 -7.444 -10.354 1.00 0.00 H new ATOM 124 N GLU A 10 -2.239 -3.954 -5.883 1.00 0.00 N ATOM 125 CA GLU A 10 -3.065 -3.761 -4.753 1.00 0.00 C ATOM 126 C GLU A 10 -3.218 -2.269 -4.454 1.00 0.00 C ATOM 127 O GLU A 10 -2.630 -1.706 -3.517 1.00 0.00 O ATOM 128 CB GLU A 10 -2.500 -4.556 -3.592 1.00 0.00 C ATOM 129 CG GLU A 10 -3.316 -4.511 -2.349 1.00 0.00 C ATOM 130 CD GLU A 10 -4.754 -4.856 -2.577 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.561 -3.927 -2.797 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.116 -6.030 -2.522 1.00 0.00 O ATOM 0 H GLU A 10 -1.267 -4.151 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.073 -4.131 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.391 -5.596 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.500 -4.184 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.894 -5.202 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.252 -3.513 -1.916 1.00 0.00 H new ATOM 139 N ARG A 11 -3.986 -1.648 -5.300 1.00 0.00 N ATOM 140 CA ARG A 11 -4.259 -0.225 -5.272 1.00 0.00 C ATOM 141 C ARG A 11 -4.944 0.193 -3.982 1.00 0.00 C ATOM 142 O ARG A 11 -4.720 1.296 -3.484 1.00 0.00 O ATOM 143 CB ARG A 11 -5.092 0.169 -6.484 1.00 0.00 C ATOM 144 CG ARG A 11 -4.394 -0.063 -7.822 1.00 0.00 C ATOM 145 CD ARG A 11 -3.135 0.778 -7.939 1.00 0.00 C ATOM 146 NE ARG A 11 -3.420 2.203 -7.750 1.00 0.00 N ATOM 147 CZ ARG A 11 -2.506 3.154 -7.567 1.00 0.00 C ATOM 148 NH1 ARG A 11 -1.210 2.844 -7.515 1.00 0.00 N ATOM 149 NH2 ARG A 11 -2.890 4.415 -7.412 1.00 0.00 N ATOM 0 H ARG A 11 -4.462 -2.130 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.306 0.302 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.024 -0.396 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.357 1.223 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.140 -1.118 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.075 0.182 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.407 0.450 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.683 0.623 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.399 2.490 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.913 1.873 -7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.515 3.578 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.882 4.652 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.193 5.147 -7.272 1.00 0.00 H new ATOM 163 N LEU A 12 -5.718 -0.708 -3.417 1.00 0.00 N ATOM 164 CA LEU A 12 -6.408 -0.453 -2.171 1.00 0.00 C ATOM 165 C LEU A 12 -5.425 -0.406 -0.995 1.00 0.00 C ATOM 166 O LEU A 12 -5.738 0.119 0.076 1.00 0.00 O ATOM 167 CB LEU A 12 -7.547 -1.448 -1.946 1.00 0.00 C ATOM 168 CG LEU A 12 -8.709 -1.378 -2.946 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.726 -2.464 -2.656 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.377 -0.007 -2.909 1.00 0.00 C ATOM 0 H LEU A 12 -5.887 -1.635 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.870 0.532 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.133 -2.456 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.946 -1.292 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.304 -1.536 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.543 -2.399 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.249 -3.441 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.119 -2.334 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.197 0.018 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.765 0.182 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.647 0.760 -3.166 1.00 0.00 H new ATOM 182 N CYS A 13 -4.245 -0.952 -1.193 1.00 0.00 N ATOM 183 CA CYS A 13 -3.200 -0.833 -0.208 1.00 0.00 C ATOM 184 C CYS A 13 -2.495 0.502 -0.423 1.00 0.00 C ATOM 185 O CYS A 13 -2.369 1.318 0.498 1.00 0.00 O ATOM 186 CB CYS A 13 -2.216 -2.008 -0.325 1.00 0.00 C ATOM 187 SG CYS A 13 -0.700 -1.856 0.653 1.00 0.00 S ATOM 0 H CYS A 13 -3.988 -1.481 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.621 -0.865 0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.731 -2.921 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.941 -2.126 -1.373 1.00 0.00 H new ATOM 192 N VAL A 14 -2.145 0.760 -1.687 1.00 0.00 N ATOM 193 CA VAL A 14 -1.414 1.966 -2.104 1.00 0.00 C ATOM 194 C VAL A 14 -2.146 3.237 -1.674 1.00 0.00 C ATOM 195 O VAL A 14 -1.520 4.205 -1.231 1.00 0.00 O ATOM 196 CB VAL A 14 -1.240 2.011 -3.645 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.352 3.174 -4.077 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.700 0.702 -4.173 1.00 0.00 C ATOM 0 H VAL A 14 -2.363 0.131 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.438 1.920 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.228 2.170 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.253 3.173 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.801 4.114 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.633 3.068 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.589 0.764 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.270 0.499 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.391 -0.103 -3.925 1.00 0.00 H new ATOM 208 N VAL A 15 -3.466 3.214 -1.783 1.00 0.00 N ATOM 209 CA VAL A 15 -4.295 4.359 -1.451 1.00 0.00 C ATOM 210 C VAL A 15 -4.152 4.767 0.029 1.00 0.00 C ATOM 211 O VAL A 15 -4.271 5.938 0.360 1.00 0.00 O ATOM 212 CB VAL A 15 -5.781 4.128 -1.838 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.421 3.039 -1.014 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.581 5.412 -1.776 1.00 0.00 C ATOM 0 H VAL A 15 -3.991 2.400 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.931 5.194 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.786 3.788 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.459 2.914 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.882 2.104 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.384 3.312 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.616 5.210 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.549 5.812 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.156 6.139 -2.467 1.00 0.00 H new ATOM 224 N HIS A 16 -3.831 3.809 0.897 1.00 0.00 N ATOM 225 CA HIS A 16 -3.602 4.121 2.309 1.00 0.00 C ATOM 226 C HIS A 16 -2.344 4.950 2.437 1.00 0.00 C ATOM 227 O HIS A 16 -2.309 5.961 3.134 1.00 0.00 O ATOM 228 CB HIS A 16 -3.532 2.839 3.160 1.00 0.00 C ATOM 229 CG HIS A 16 -2.965 3.017 4.557 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.553 3.755 5.562 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.807 2.554 5.067 1.00 0.00 C ATOM 232 CE1 HIS A 16 -2.741 3.720 6.628 1.00 0.00 C ATOM 233 NE2 HIS A 16 -1.663 2.992 6.379 1.00 0.00 N ATOM 0 H HIS A 16 -3.724 2.824 0.654 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.443 4.701 2.691 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.536 2.423 3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.926 2.104 2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.098 1.936 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.939 4.219 7.565 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.890 2.794 7.015 1.00 0.00 H new ATOM 241 N CYS A 17 -1.346 4.556 1.709 1.00 0.00 N ATOM 242 CA CYS A 17 -0.093 5.256 1.688 1.00 0.00 C ATOM 243 C CYS A 17 -0.277 6.638 1.068 1.00 0.00 C ATOM 244 O CYS A 17 0.283 7.623 1.545 1.00 0.00 O ATOM 245 CB CYS A 17 0.922 4.429 0.930 1.00 0.00 C ATOM 246 SG CYS A 17 1.106 2.754 1.619 1.00 0.00 S ATOM 0 H CYS A 17 -1.375 3.733 1.107 1.00 0.00 H new ATOM 0 HA CYS A 17 0.274 5.402 2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.621 4.358 -0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.887 4.935 0.950 1.00 0.00 H new ATOM 251 N LEU A 18 -1.119 6.719 0.054 1.00 0.00 N ATOM 252 CA LEU A 18 -1.419 7.986 -0.596 1.00 0.00 C ATOM 253 C LEU A 18 -2.212 8.895 0.344 1.00 0.00 C ATOM 254 O LEU A 18 -2.048 10.107 0.319 1.00 0.00 O ATOM 255 CB LEU A 18 -2.195 7.761 -1.898 1.00 0.00 C ATOM 256 CG LEU A 18 -1.484 6.939 -2.980 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.388 6.749 -4.187 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.177 7.602 -3.395 1.00 0.00 C ATOM 0 H LEU A 18 -1.611 5.918 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.475 8.474 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.135 7.266 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.447 8.735 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.252 5.959 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.866 6.164 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.294 6.225 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.653 7.722 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.308 7.000 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.383 8.597 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.480 7.684 -2.529 1.00 0.00 H new ATOM 270 N ALA A 19 -3.029 8.294 1.196 1.00 0.00 N ATOM 271 CA ALA A 19 -3.787 9.036 2.189 1.00 0.00 C ATOM 272 C ALA A 19 -2.859 9.548 3.284 1.00 0.00 C ATOM 273 O ALA A 19 -3.049 10.642 3.816 1.00 0.00 O ATOM 274 CB ALA A 19 -4.894 8.173 2.782 1.00 0.00 C ATOM 0 H ALA A 19 -3.184 7.286 1.218 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.253 9.891 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.448 8.750 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.571 7.855 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.456 7.296 3.259 1.00 0.00 H new ATOM 280 N LYS A 20 -1.856 8.752 3.614 1.00 0.00 N ATOM 281 CA LYS A 20 -0.853 9.137 4.601 1.00 0.00 C ATOM 282 C LYS A 20 0.052 10.245 4.060 1.00 0.00 C ATOM 283 O LYS A 20 0.499 11.116 4.810 1.00 0.00 O ATOM 284 CB LYS A 20 -0.009 7.932 5.025 1.00 0.00 C ATOM 285 CG LYS A 20 -0.779 6.857 5.779 1.00 0.00 C ATOM 286 CD LYS A 20 0.103 5.655 6.118 1.00 0.00 C ATOM 287 CE LYS A 20 1.194 5.972 7.132 1.00 0.00 C ATOM 288 NZ LYS A 20 0.662 6.332 8.464 1.00 0.00 N ATOM 0 H LYS A 20 -1.711 7.826 3.210 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.382 9.516 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.437 7.486 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.811 8.281 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.186 7.279 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.626 6.527 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.523 4.853 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.564 5.283 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.851 5.108 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.803 6.794 6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.449 6.437 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.140 7.229 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.022 5.583 8.796 1.00 0.00 H new ATOM 302 N GLY A 21 0.302 10.206 2.773 1.00 0.00 N ATOM 303 CA GLY A 21 1.146 11.197 2.144 1.00 0.00 C ATOM 304 C GLY A 21 2.440 10.587 1.672 1.00 0.00 C ATOM 305 O GLY A 21 3.495 11.232 1.678 1.00 0.00 O ATOM 0 H GLY A 21 -0.067 9.498 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.621 11.643 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.355 12.001 2.849 1.00 0.00 H new ATOM 309 N PHE A 22 2.365 9.340 1.285 1.00 0.00 N ATOM 310 CA PHE A 22 3.503 8.594 0.814 1.00 0.00 C ATOM 311 C PHE A 22 3.573 8.536 -0.671 1.00 0.00 C ATOM 312 O PHE A 22 2.565 8.692 -1.362 1.00 0.00 O ATOM 313 CB PHE A 22 3.509 7.179 1.383 1.00 0.00 C ATOM 314 CG PHE A 22 4.237 7.081 2.651 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.587 6.888 2.622 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.594 7.167 3.866 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.302 6.782 3.759 1.00 0.00 C ATOM 318 CE2 PHE A 22 4.312 7.061 5.035 1.00 0.00 C ATOM 319 CZ PHE A 22 5.674 6.867 4.983 1.00 0.00 C ATOM 0 H PHE A 22 1.496 8.805 1.288 1.00 0.00 H new ATOM 0 HA PHE A 22 4.384 9.129 1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.481 6.848 1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.960 6.502 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.092 6.819 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.525 7.318 3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.370 6.630 3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.810 7.130 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.246 6.782 5.895 1.00 0.00 H new ATOM 329 N ARG A 23 4.777 8.292 -1.148 1.00 0.00 N ATOM 330 CA ARG A 23 5.076 8.127 -2.553 1.00 0.00 C ATOM 331 C ARG A 23 4.357 6.893 -3.107 1.00 0.00 C ATOM 332 O ARG A 23 4.082 6.797 -4.311 1.00 0.00 O ATOM 333 CB ARG A 23 6.584 7.984 -2.721 1.00 0.00 C ATOM 334 CG ARG A 23 7.056 7.944 -4.155 1.00 0.00 C ATOM 335 CD ARG A 23 8.564 7.876 -4.231 1.00 0.00 C ATOM 336 NE ARG A 23 9.190 9.022 -3.570 1.00 0.00 N ATOM 337 CZ ARG A 23 10.500 9.277 -3.537 1.00 0.00 C ATOM 338 NH1 ARG A 23 11.356 8.504 -4.205 1.00 0.00 N ATOM 339 NH2 ARG A 23 10.946 10.315 -2.844 1.00 0.00 N ATOM 0 H ARG A 23 5.598 8.201 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 23 4.728 8.998 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.073 8.816 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.907 7.071 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.624 7.079 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.702 8.830 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.911 6.953 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.875 7.843 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 23 8.574 9.681 -3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.012 7.711 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.355 8.705 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.290 10.912 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.945 10.517 -2.814 1.00 0.00 H new ATOM 353 N GLY A 24 4.020 5.975 -2.229 1.00 0.00 N ATOM 354 CA GLY A 24 3.303 4.810 -2.649 1.00 0.00 C ATOM 355 C GLY A 24 3.398 3.716 -1.647 1.00 0.00 C ATOM 356 O GLY A 24 4.088 3.865 -0.626 1.00 0.00 O ATOM 0 H GLY A 24 4.232 6.018 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.256 5.066 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.698 4.464 -3.604 1.00 0.00 H new ATOM 360 N GLY A 25 2.715 2.642 -1.915 1.00 0.00 N ATOM 361 CA GLY A 25 2.657 1.550 -1.008 1.00 0.00 C ATOM 362 C GLY A 25 2.570 0.264 -1.743 1.00 0.00 C ATOM 363 O GLY A 25 2.199 0.254 -2.920 1.00 0.00 O ATOM 0 H GLY A 25 2.183 2.505 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.542 1.552 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.793 1.660 -0.353 1.00 0.00 H new ATOM 367 N TRP A 26 2.903 -0.807 -1.088 1.00 0.00 N ATOM 368 CA TRP A 26 2.920 -2.095 -1.719 1.00 0.00 C ATOM 369 C TRP A 26 2.870 -3.180 -0.665 1.00 0.00 C ATOM 370 O TRP A 26 3.305 -2.971 0.481 1.00 0.00 O ATOM 371 CB TRP A 26 4.225 -2.268 -2.563 1.00 0.00 C ATOM 372 CG TRP A 26 5.495 -2.462 -1.740 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.208 -3.618 -1.598 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.170 -1.490 -0.923 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.277 -3.418 -0.761 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.274 -2.129 -0.336 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.948 -0.150 -0.638 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.142 -1.473 0.515 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.805 0.502 0.212 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.896 -0.163 0.781 1.00 0.00 C ATOM 0 H TRP A 26 3.170 -0.815 -0.104 1.00 0.00 H new ATOM 0 HA TRP A 26 2.053 -2.172 -2.374 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.103 -3.125 -3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.350 -1.391 -3.198 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.965 -4.556 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.964 -4.125 -0.500 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.112 0.372 -1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.987 -1.983 0.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.635 1.543 0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.556 0.375 1.445 1.00 0.00 H new ATOM 391 N CYS A 27 2.315 -4.298 -1.029 1.00 0.00 N ATOM 392 CA CYS A 27 2.400 -5.472 -0.206 1.00 0.00 C ATOM 393 C CYS A 27 3.707 -6.143 -0.543 1.00 0.00 C ATOM 394 O CYS A 27 4.083 -6.199 -1.727 1.00 0.00 O ATOM 395 CB CYS A 27 1.259 -6.453 -0.514 1.00 0.00 C ATOM 396 SG CYS A 27 -0.412 -5.820 -0.213 1.00 0.00 S ATOM 0 H CYS A 27 1.794 -4.424 -1.897 1.00 0.00 H new ATOM 0 HA CYS A 27 2.331 -5.191 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.333 -6.753 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.403 -7.351 0.087 1.00 0.00 H new ATOM 401 N ASP A 28 4.433 -6.565 0.440 1.00 0.00 N ATOM 402 CA ASP A 28 5.636 -7.323 0.181 1.00 0.00 C ATOM 403 C ASP A 28 5.305 -8.803 0.357 1.00 0.00 C ATOM 404 O ASP A 28 4.137 -9.146 0.620 1.00 0.00 O ATOM 405 CB ASP A 28 6.812 -6.885 1.086 1.00 0.00 C ATOM 406 CG ASP A 28 6.659 -7.258 2.534 1.00 0.00 C ATOM 407 OD1 ASP A 28 7.065 -8.364 2.912 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.179 -6.438 3.325 1.00 0.00 O ATOM 0 H ASP A 28 4.226 -6.405 1.426 1.00 0.00 H new ATOM 0 HA ASP A 28 5.971 -7.135 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.732 -7.329 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.926 -5.803 1.013 1.00 0.00 H new ATOM 413 N SER A 29 6.295 -9.669 0.238 1.00 0.00 N ATOM 414 CA SER A 29 6.093 -11.115 0.323 1.00 0.00 C ATOM 415 C SER A 29 5.489 -11.569 1.678 1.00 0.00 C ATOM 416 O SER A 29 4.903 -12.645 1.773 1.00 0.00 O ATOM 417 CB SER A 29 7.417 -11.814 0.077 1.00 0.00 C ATOM 418 OG SER A 29 8.001 -11.362 -1.142 1.00 0.00 O ATOM 0 H SER A 29 7.265 -9.395 0.079 1.00 0.00 H new ATOM 0 HA SER A 29 5.366 -11.390 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.097 -11.620 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.264 -12.892 0.036 1.00 0.00 H new ATOM 0 HG SER A 29 8.855 -11.821 -1.285 1.00 0.00 H new ATOM 424 N ARG A 30 5.610 -10.744 2.703 1.00 0.00 N ATOM 425 CA ARG A 30 5.082 -11.077 4.024 1.00 0.00 C ATOM 426 C ARG A 30 3.597 -10.709 4.145 1.00 0.00 C ATOM 427 O ARG A 30 3.022 -10.844 5.219 1.00 0.00 O ATOM 428 CB ARG A 30 5.845 -10.316 5.096 1.00 0.00 C ATOM 429 CG ARG A 30 7.339 -10.581 5.156 1.00 0.00 C ATOM 430 CD ARG A 30 7.996 -9.543 6.043 1.00 0.00 C ATOM 431 NE ARG A 30 7.670 -8.191 5.560 1.00 0.00 N ATOM 432 CZ ARG A 30 7.757 -7.057 6.256 1.00 0.00 C ATOM 433 NH1 ARG A 30 8.320 -7.042 7.455 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.282 -5.937 5.731 1.00 0.00 N ATOM 0 H ARG A 30 6.070 -9.835 2.650 1.00 0.00 H new ATOM 0 HA ARG A 30 5.198 -12.153 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.690 -9.249 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.412 -10.560 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.527 -11.581 5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.767 -10.544 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.655 -9.663 7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.077 -9.687 6.046 1.00 0.00 H new ATOM 0 HE ARG A 30 7.345 -8.114 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.692 -7.904 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.381 -6.169 7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.856 -5.949 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.343 -5.063 6.253 1.00 0.00 H new ATOM 448 N LYS A 31 2.996 -10.215 3.039 1.00 0.00 N ATOM 449 CA LYS A 31 1.573 -9.757 2.981 1.00 0.00 C ATOM 450 C LYS A 31 1.400 -8.449 3.759 1.00 0.00 C ATOM 451 O LYS A 31 0.279 -8.018 4.059 1.00 0.00 O ATOM 452 CB LYS A 31 0.580 -10.815 3.522 1.00 0.00 C ATOM 453 CG LYS A 31 0.579 -12.157 2.806 1.00 0.00 C ATOM 454 CD LYS A 31 0.089 -12.069 1.374 1.00 0.00 C ATOM 455 CE LYS A 31 0.013 -13.462 0.759 1.00 0.00 C ATOM 456 NZ LYS A 31 -0.541 -13.451 -0.597 1.00 0.00 N ATOM 0 H LYS A 31 3.483 -10.119 2.148 1.00 0.00 H new ATOM 0 HA LYS A 31 1.341 -9.598 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.802 -10.988 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.426 -10.399 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.589 -12.566 2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.051 -12.855 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.893 -11.597 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.761 -11.441 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.011 -13.900 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.601 -14.102 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.570 -14.422 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.504 -13.059 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.058 -12.864 -1.212 1.00 0.00 H new ATOM 470 N VAL A 32 2.501 -7.817 4.058 1.00 0.00 N ATOM 471 CA VAL A 32 2.488 -6.588 4.801 1.00 0.00 C ATOM 472 C VAL A 32 2.506 -5.427 3.840 1.00 0.00 C ATOM 473 O VAL A 32 3.243 -5.442 2.846 1.00 0.00 O ATOM 474 CB VAL A 32 3.704 -6.486 5.779 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.670 -5.189 6.586 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.744 -7.685 6.717 1.00 0.00 C ATOM 0 H VAL A 32 3.432 -8.139 3.794 1.00 0.00 H new ATOM 0 HA VAL A 32 1.580 -6.565 5.403 1.00 0.00 H new ATOM 0 HB VAL A 32 4.609 -6.482 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.530 -5.154 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.703 -4.337 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.753 -5.150 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.598 -7.593 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.825 -7.720 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.838 -8.601 6.133 1.00 0.00 H new ATOM 486 N CYS A 33 1.656 -4.477 4.093 1.00 0.00 N ATOM 487 CA CYS A 33 1.627 -3.266 3.342 1.00 0.00 C ATOM 488 C CYS A 33 2.620 -2.300 3.900 1.00 0.00 C ATOM 489 O CYS A 33 2.648 -2.038 5.111 1.00 0.00 O ATOM 490 CB CYS A 33 0.252 -2.645 3.340 1.00 0.00 C ATOM 491 SG CYS A 33 -0.868 -3.284 2.079 1.00 0.00 S ATOM 0 H CYS A 33 0.958 -4.525 4.835 1.00 0.00 H new ATOM 0 HA CYS A 33 1.886 -3.505 2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.201 -2.798 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.356 -1.569 3.202 1.00 0.00 H new ATOM 496 N ASN A 34 3.446 -1.807 3.051 1.00 0.00 N ATOM 497 CA ASN A 34 4.455 -0.870 3.438 1.00 0.00 C ATOM 498 C ASN A 34 4.268 0.350 2.587 1.00 0.00 C ATOM 499 O ASN A 34 3.786 0.236 1.464 1.00 0.00 O ATOM 500 CB ASN A 34 5.851 -1.448 3.180 1.00 0.00 C ATOM 501 CG ASN A 34 6.033 -2.868 3.672 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.402 -3.104 4.815 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.804 -3.823 2.795 1.00 0.00 N ATOM 0 H ASN A 34 3.447 -2.040 2.058 1.00 0.00 H new ATOM 0 HA ASN A 34 4.370 -0.640 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.053 -1.417 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.591 -0.810 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.933 -4.800 3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.497 -3.586 1.851 1.00 0.00 H new ATOM 510 N CYS A 35 4.582 1.492 3.110 1.00 0.00 N ATOM 511 CA CYS A 35 4.488 2.731 2.376 1.00 0.00 C ATOM 512 C CYS A 35 5.884 3.326 2.216 1.00 0.00 C ATOM 513 O CYS A 35 6.561 3.562 3.219 1.00 0.00 O ATOM 514 CB CYS A 35 3.575 3.701 3.123 1.00 0.00 C ATOM 515 SG CYS A 35 1.892 3.066 3.461 1.00 0.00 S ATOM 0 H CYS A 35 4.915 1.601 4.068 1.00 0.00 H new ATOM 0 HA CYS A 35 4.065 2.547 1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.046 3.964 4.070 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.492 4.620 2.542 1.00 0.00 H new ATOM 520 N ARG A 36 6.320 3.564 0.964 1.00 0.00 N ATOM 521 CA ARG A 36 7.658 4.105 0.678 1.00 0.00 C ATOM 522 C ARG A 36 7.890 4.176 -0.831 1.00 0.00 C ATOM 523 O ARG A 36 8.232 5.221 -1.361 1.00 0.00 O ATOM 524 CB ARG A 36 8.743 3.200 1.285 1.00 0.00 C ATOM 525 CG ARG A 36 10.162 3.700 1.171 1.00 0.00 C ATOM 526 CD ARG A 36 11.110 2.646 1.706 1.00 0.00 C ATOM 527 NE ARG A 36 12.501 3.083 1.736 1.00 0.00 N ATOM 528 CZ ARG A 36 13.533 2.338 2.172 1.00 0.00 C ATOM 529 NH1 ARG A 36 13.347 1.065 2.517 1.00 0.00 N ATOM 530 NH2 ARG A 36 14.746 2.863 2.240 1.00 0.00 N ATOM 0 H ARG A 36 5.759 3.388 0.131 1.00 0.00 H new ATOM 0 HA ARG A 36 7.715 5.102 1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.515 3.051 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.683 2.223 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.398 3.923 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.279 4.628 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.802 2.368 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.031 1.750 1.090 1.00 0.00 H new ATOM 0 HE ARG A 36 12.707 4.024 1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.418 0.649 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.134 0.506 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.898 3.832 1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.528 2.298 2.571 1.00 0.00 H new ATOM 544 N ARG A 37 7.683 3.057 -1.499 1.00 0.00 N ATOM 545 CA ARG A 37 8.019 2.905 -2.905 1.00 0.00 C ATOM 546 C ARG A 37 7.048 3.636 -3.803 1.00 0.00 C ATOM 547 O ARG A 37 7.453 4.608 -4.455 1.00 0.00 O ATOM 548 CB ARG A 37 8.084 1.430 -3.304 1.00 0.00 C ATOM 549 CG ARG A 37 9.038 0.575 -2.473 1.00 0.00 C ATOM 550 CD ARG A 37 10.464 1.107 -2.467 1.00 0.00 C ATOM 551 NE ARG A 37 11.025 1.234 -3.814 1.00 0.00 N ATOM 552 CZ ARG A 37 12.160 1.885 -4.115 1.00 0.00 C ATOM 553 NH1 ARG A 37 12.985 2.282 -3.144 1.00 0.00 N ATOM 554 NH2 ARG A 37 12.492 2.087 -5.386 1.00 0.00 N ATOM 555 OXT ARG A 37 5.879 3.237 -3.871 1.00 0.00 O ATOM 0 H ARG A 37 7.274 2.222 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 37 9.005 3.351 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.083 1.005 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.381 1.366 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.671 0.524 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.038 -0.443 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.482 2.080 -1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.094 0.441 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 37 10.515 0.795 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.754 2.091 -2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.846 2.776 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.885 1.748 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.354 2.581 -5.616 1.00 0.00 H new