USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=8 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 34 LYS NZ :NH3+ 162:sc= -0.129 (180deg=-0.86) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -137:sc= -1.8! (180deg=-2.71!) USER MOD Single : A 4 ASN : amide:sc= 0.201 K(o=0.2,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ -145:sc= -0.103 (180deg=-0.887) USER MOD Single : A 10 SER OG : rot 142:sc= -1.12! USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.102 (180deg=-0.785) 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+ -127:sc= -0.202 (180deg=-0.767) USER MOD Single : A 29 MET CE :methyl -104:sc= -1.44 (180deg=-3.98!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.710 7.728 2.208 1.00 0.00 N ATOM 2 CA VAL A 1 -2.313 8.076 2.596 1.00 0.00 C ATOM 3 C VAL A 1 -1.367 6.924 2.249 1.00 0.00 C ATOM 4 O VAL A 1 -1.791 5.857 1.854 1.00 0.00 O ATOM 5 CB VAL A 1 -2.363 8.295 4.108 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.412 9.358 4.436 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.736 6.982 4.802 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.159 8.549 1.754 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.697 6.929 1.543 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.250 7.463 3.056 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.945 8.957 2.071 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.386 8.628 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.447 9.514 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.149 10.294 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.389 9.025 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.772 7.138 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.713 6.650 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.989 6.223 4.570 1.00 0.00 H new ATOM 19 N PHE A 2 -0.087 7.132 2.394 1.00 0.00 N ATOM 20 CA PHE A 2 0.885 6.050 2.072 1.00 0.00 C ATOM 21 C PHE A 2 1.420 5.419 3.358 1.00 0.00 C ATOM 22 O PHE A 2 1.260 5.953 4.436 1.00 0.00 O ATOM 23 CB PHE A 2 2.012 6.745 1.304 1.00 0.00 C ATOM 24 CG PHE A 2 1.455 7.408 0.063 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.165 7.095 -0.388 1.00 0.00 C ATOM 26 CD2 PHE A 2 2.232 8.336 -0.639 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.345 7.709 -1.536 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.722 8.951 -1.788 1.00 0.00 C ATOM 29 CZ PHE A 2 0.433 8.637 -2.237 1.00 0.00 C ATOM 0 H PHE A 2 0.327 8.005 2.722 1.00 0.00 H new ATOM 0 HA PHE A 2 0.431 5.247 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.493 7.488 1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.777 6.019 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.436 6.378 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.226 8.578 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.339 7.467 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.322 9.668 -2.329 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.040 9.111 -3.124 1.00 0.00 H new ATOM 39 N ILE A 3 2.053 4.285 3.252 1.00 0.00 N ATOM 40 CA ILE A 3 2.600 3.620 4.470 1.00 0.00 C ATOM 41 C ILE A 3 4.123 3.542 4.368 1.00 0.00 C ATOM 42 O ILE A 3 4.686 3.571 3.291 1.00 0.00 O ATOM 43 CB ILE A 3 2.005 2.201 4.505 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.706 2.118 3.684 1.00 0.00 C ATOM 45 CG2 ILE A 3 1.697 1.821 5.954 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.411 2.864 4.413 1.00 0.00 C ATOM 0 H ILE A 3 2.216 3.789 2.376 1.00 0.00 H new ATOM 0 HA ILE A 3 2.345 4.174 5.374 1.00 0.00 H new ATOM 0 HB ILE A 3 2.734 1.516 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.861 2.550 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.424 1.076 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.275 0.816 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.616 1.847 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.980 2.528 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.330 2.804 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.572 2.412 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.129 3.909 4.538 1.00 0.00 H new ATOM 58 N ASN A 4 4.796 3.433 5.479 1.00 0.00 N ATOM 59 CA ASN A 4 6.283 3.343 5.440 1.00 0.00 C ATOM 60 C ASN A 4 6.721 1.919 5.792 1.00 0.00 C ATOM 61 O ASN A 4 7.657 1.709 6.537 1.00 0.00 O ATOM 62 CB ASN A 4 6.776 4.341 6.488 1.00 0.00 C ATOM 63 CG ASN A 4 6.219 3.961 7.861 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.060 4.191 8.143 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.002 3.388 8.734 1.00 0.00 N ATOM 0 H ASN A 4 4.382 3.402 6.411 1.00 0.00 H new ATOM 0 HA ASN A 4 6.690 3.570 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.866 4.346 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.459 5.349 6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.641 3.133 9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.975 3.195 8.497 1.00 0.00 H new ATOM 72 N ALA A 5 6.039 0.942 5.259 1.00 0.00 N ATOM 73 CA ALA A 5 6.399 -0.473 5.555 1.00 0.00 C ATOM 74 C ALA A 5 7.300 -1.034 4.450 1.00 0.00 C ATOM 75 O ALA A 5 7.310 -2.220 4.197 1.00 0.00 O ATOM 76 CB ALA A 5 5.061 -1.216 5.585 1.00 0.00 C ATOM 0 H ALA A 5 5.246 1.064 4.629 1.00 0.00 H new ATOM 0 HA ALA A 5 6.948 -0.575 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.235 -2.271 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.425 -0.789 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.568 -1.118 4.618 1.00 0.00 H new ATOM 82 N LYS A 6 8.050 -0.183 3.796 1.00 0.00 N ATOM 83 CA LYS A 6 8.955 -0.650 2.697 1.00 0.00 C ATOM 84 C LYS A 6 8.304 -1.788 1.914 1.00 0.00 C ATOM 85 O LYS A 6 8.686 -2.936 2.024 1.00 0.00 O ATOM 86 CB LYS A 6 10.229 -1.132 3.390 1.00 0.00 C ATOM 87 CG LYS A 6 9.887 -2.186 4.449 1.00 0.00 C ATOM 88 CD LYS A 6 11.176 -2.839 4.948 1.00 0.00 C ATOM 89 CE LYS A 6 11.243 -4.285 4.452 1.00 0.00 C ATOM 90 NZ LYS A 6 10.138 -4.986 5.163 1.00 0.00 N ATOM 0 H LYS A 6 8.076 0.821 3.976 1.00 0.00 H new ATOM 0 HA LYS A 6 9.164 0.145 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.915 -1.553 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.740 -0.289 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.355 -1.723 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.224 -2.941 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.041 -2.280 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.210 -2.815 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.114 -4.338 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.209 -4.736 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.427 -5.962 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.923 -4.486 6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.291 -5.000 4.560 1.00 0.00 H new ATOM 104 N CYS A 7 7.317 -1.478 1.128 1.00 0.00 N ATOM 105 CA CYS A 7 6.629 -2.543 0.343 1.00 0.00 C ATOM 106 C CYS A 7 7.646 -3.379 -0.439 1.00 0.00 C ATOM 107 O CYS A 7 8.542 -2.856 -1.073 1.00 0.00 O ATOM 108 CB CYS A 7 5.695 -1.801 -0.614 1.00 0.00 C ATOM 109 SG CYS A 7 6.662 -0.701 -1.678 1.00 0.00 S ATOM 0 H CYS A 7 6.954 -0.534 0.992 1.00 0.00 H new ATOM 0 HA CYS A 7 6.085 -3.233 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.139 -2.515 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.962 -1.225 -0.049 1.00 0.00 H new ATOM 114 N ARG A 8 7.507 -4.676 -0.402 1.00 0.00 N ATOM 115 CA ARG A 8 8.456 -5.553 -1.146 1.00 0.00 C ATOM 116 C ARG A 8 7.882 -5.887 -2.527 1.00 0.00 C ATOM 117 O ARG A 8 8.581 -6.344 -3.408 1.00 0.00 O ATOM 118 CB ARG A 8 8.575 -6.819 -0.295 1.00 0.00 C ATOM 119 CG ARG A 8 9.807 -6.715 0.605 1.00 0.00 C ATOM 120 CD ARG A 8 10.995 -7.401 -0.076 1.00 0.00 C ATOM 121 NE ARG A 8 10.938 -8.815 0.388 1.00 0.00 N ATOM 122 CZ ARG A 8 11.240 -9.783 -0.435 1.00 0.00 C ATOM 123 NH1 ARG A 8 11.992 -9.544 -1.473 1.00 0.00 N ATOM 124 NH2 ARG A 8 10.791 -10.988 -0.216 1.00 0.00 N ATOM 0 H ARG A 8 6.776 -5.167 0.112 1.00 0.00 H new ATOM 0 HA ARG A 8 9.424 -5.079 -1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.678 -6.948 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.654 -7.696 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.041 -5.668 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.607 -7.182 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.919 -7.338 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.937 -6.931 0.205 1.00 0.00 H new ATOM 0 HE ARG A 8 10.663 -9.027 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.344 -8.602 -1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.228 -10.299 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.204 -11.174 0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.026 -11.745 -0.858 1.00 0.00 H new ATOM 138 N GLY A 9 6.612 -5.658 -2.716 1.00 0.00 N ATOM 139 CA GLY A 9 5.986 -5.957 -4.036 1.00 0.00 C ATOM 140 C GLY A 9 4.680 -5.170 -4.168 1.00 0.00 C ATOM 141 O GLY A 9 4.078 -4.779 -3.188 1.00 0.00 O ATOM 0 H GLY A 9 5.979 -5.276 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.668 -5.690 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.790 -7.026 -4.125 1.00 0.00 H new ATOM 145 N SER A 10 4.238 -4.934 -5.372 1.00 0.00 N ATOM 146 CA SER A 10 2.972 -4.170 -5.569 1.00 0.00 C ATOM 147 C SER A 10 1.790 -4.881 -4.889 1.00 0.00 C ATOM 148 O SER A 10 1.048 -4.262 -4.154 1.00 0.00 O ATOM 149 CB SER A 10 2.765 -4.113 -7.085 1.00 0.00 C ATOM 150 OG SER A 10 3.793 -4.850 -7.735 1.00 0.00 O ATOM 0 H SER A 10 4.699 -5.237 -6.230 1.00 0.00 H new ATOM 0 HA SER A 10 3.030 -3.175 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.789 -4.524 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.776 -3.077 -7.425 1.00 0.00 H new ATOM 0 HG SER A 10 3.417 -5.327 -8.504 1.00 0.00 H new ATOM 156 N PRO A 11 1.645 -6.160 -5.154 1.00 0.00 N ATOM 157 CA PRO A 11 0.532 -6.936 -4.555 1.00 0.00 C ATOM 158 C PRO A 11 0.658 -6.981 -3.027 1.00 0.00 C ATOM 159 O PRO A 11 -0.254 -7.381 -2.333 1.00 0.00 O ATOM 160 CB PRO A 11 0.719 -8.327 -5.172 1.00 0.00 C ATOM 161 CG PRO A 11 1.937 -8.289 -6.115 1.00 0.00 C ATOM 162 CD PRO A 11 2.567 -6.892 -6.055 1.00 0.00 C ATOM 0 HA PRO A 11 -0.452 -6.510 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.870 -9.070 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.176 -8.620 -5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.666 -9.044 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.632 -8.521 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.582 -6.922 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.623 -6.430 -7.041 1.00 0.00 H new ATOM 170 N GLU A 12 1.777 -6.569 -2.499 1.00 0.00 N ATOM 171 CA GLU A 12 1.951 -6.585 -1.018 1.00 0.00 C ATOM 172 C GLU A 12 1.297 -5.344 -0.401 1.00 0.00 C ATOM 173 O GLU A 12 0.768 -5.382 0.695 1.00 0.00 O ATOM 174 CB GLU A 12 3.463 -6.563 -0.795 1.00 0.00 C ATOM 175 CG GLU A 12 4.088 -7.824 -1.395 1.00 0.00 C ATOM 176 CD GLU A 12 4.028 -8.962 -0.376 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.866 -8.981 0.512 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.148 -9.797 -0.500 1.00 0.00 O ATOM 0 H GLU A 12 2.578 -6.222 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 12 1.486 -7.455 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.896 -5.675 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.683 -6.508 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.557 -8.108 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.123 -7.630 -1.678 1.00 0.00 H new ATOM 185 N CYS A 13 1.326 -4.241 -1.100 1.00 0.00 N ATOM 186 CA CYS A 13 0.704 -3.003 -0.554 1.00 0.00 C ATOM 187 C CYS A 13 -0.814 -3.174 -0.464 1.00 0.00 C ATOM 188 O CYS A 13 -1.479 -2.488 0.288 1.00 0.00 O ATOM 189 CB CYS A 13 1.069 -1.898 -1.548 1.00 0.00 C ATOM 190 SG CYS A 13 1.080 -0.293 -0.703 1.00 0.00 S ATOM 0 H CYS A 13 1.752 -4.145 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 13 1.057 -2.771 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.048 -2.097 -1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.352 -1.883 -2.369 1.00 0.00 H new ATOM 195 N LEU A 14 -1.370 -4.090 -1.209 1.00 0.00 N ATOM 196 CA LEU A 14 -2.841 -4.302 -1.142 1.00 0.00 C ATOM 197 C LEU A 14 -3.234 -4.682 0.291 1.00 0.00 C ATOM 198 O LEU A 14 -4.000 -3.979 0.921 1.00 0.00 O ATOM 199 CB LEU A 14 -3.132 -5.440 -2.122 1.00 0.00 C ATOM 200 CG LEU A 14 -3.835 -4.882 -3.361 1.00 0.00 C ATOM 201 CD1 LEU A 14 -5.121 -4.169 -2.942 1.00 0.00 C ATOM 202 CD2 LEU A 14 -2.913 -3.886 -4.066 1.00 0.00 C ATOM 0 H LEU A 14 -0.870 -4.698 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.411 -3.410 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.203 -5.933 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.758 -6.194 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.076 -5.701 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.621 -3.772 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.781 -4.875 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.879 -3.351 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.414 -3.488 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.673 -3.069 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.994 -4.390 -4.366 1.00 0.00 H new ATOM 214 N PRO A 15 -2.679 -5.768 0.784 1.00 0.00 N ATOM 215 CA PRO A 15 -2.970 -6.197 2.169 1.00 0.00 C ATOM 216 C PRO A 15 -2.593 -5.080 3.145 1.00 0.00 C ATOM 217 O PRO A 15 -3.275 -4.837 4.122 1.00 0.00 O ATOM 218 CB PRO A 15 -2.057 -7.414 2.348 1.00 0.00 C ATOM 219 CG PRO A 15 -1.270 -7.637 1.042 1.00 0.00 C ATOM 220 CD PRO A 15 -1.748 -6.617 0.001 1.00 0.00 C ATOM 0 HA PRO A 15 -4.020 -6.425 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.371 -7.253 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.648 -8.298 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.201 -7.522 1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.425 -8.652 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.920 -6.039 -0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.248 -7.099 -0.839 1.00 0.00 H new ATOM 228 N LYS A 16 -1.513 -4.391 2.880 1.00 0.00 N ATOM 229 CA LYS A 16 -1.097 -3.283 3.784 1.00 0.00 C ATOM 230 C LYS A 16 -2.078 -2.115 3.662 1.00 0.00 C ATOM 231 O LYS A 16 -2.416 -1.472 4.636 1.00 0.00 O ATOM 232 CB LYS A 16 0.295 -2.876 3.299 1.00 0.00 C ATOM 233 CG LYS A 16 1.321 -3.916 3.757 1.00 0.00 C ATOM 234 CD LYS A 16 2.699 -3.262 3.877 1.00 0.00 C ATOM 235 CE LYS A 16 3.784 -4.302 3.586 1.00 0.00 C ATOM 236 NZ LYS A 16 3.709 -4.537 2.116 1.00 0.00 N ATOM 0 H LYS A 16 -0.904 -4.549 2.077 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.086 -3.581 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.304 -2.796 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.556 -1.894 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.023 -4.337 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.360 -4.741 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.781 -2.430 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.833 -2.851 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.769 -3.937 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.608 -5.223 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.651 -4.793 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.042 -5.311 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.382 -3.671 1.642 1.00 0.00 H new ATOM 250 N CYS A 17 -2.547 -1.842 2.473 1.00 0.00 N ATOM 251 CA CYS A 17 -3.515 -0.722 2.294 1.00 0.00 C ATOM 252 C CYS A 17 -4.896 -1.148 2.798 1.00 0.00 C ATOM 253 O CYS A 17 -5.641 -0.359 3.344 1.00 0.00 O ATOM 254 CB CYS A 17 -3.549 -0.458 0.786 1.00 0.00 C ATOM 255 SG CYS A 17 -2.023 0.373 0.278 1.00 0.00 S ATOM 0 H CYS A 17 -2.302 -2.345 1.620 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.228 0.170 2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.660 -1.398 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.412 0.159 0.534 1.00 0.00 H new ATOM 260 N LYS A 18 -5.241 -2.397 2.626 1.00 0.00 N ATOM 261 CA LYS A 18 -6.569 -2.878 3.104 1.00 0.00 C ATOM 262 C LYS A 18 -6.607 -2.856 4.634 1.00 0.00 C ATOM 263 O LYS A 18 -7.620 -2.561 5.237 1.00 0.00 O ATOM 264 CB LYS A 18 -6.680 -4.313 2.583 1.00 0.00 C ATOM 265 CG LYS A 18 -7.790 -5.050 3.337 1.00 0.00 C ATOM 266 CD LYS A 18 -8.286 -6.227 2.495 1.00 0.00 C ATOM 267 CE LYS A 18 -8.759 -7.354 3.418 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.880 -8.551 2.537 1.00 0.00 N ATOM 0 H LYS A 18 -4.660 -3.104 2.175 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.392 -2.255 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.895 -4.307 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.731 -4.832 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.417 -5.408 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.614 -4.369 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.102 -5.906 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.487 -6.586 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.047 -7.528 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.714 -7.108 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.200 -9.365 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.570 -8.359 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.955 -8.765 2.114 1.00 0.00 H new ATOM 282 N GLU A 19 -5.506 -3.165 5.263 1.00 0.00 N ATOM 283 CA GLU A 19 -5.471 -3.162 6.754 1.00 0.00 C ATOM 284 C GLU A 19 -5.092 -1.771 7.271 1.00 0.00 C ATOM 285 O GLU A 19 -5.314 -1.444 8.419 1.00 0.00 O ATOM 286 CB GLU A 19 -4.392 -4.182 7.124 1.00 0.00 C ATOM 287 CG GLU A 19 -4.690 -5.516 6.437 1.00 0.00 C ATOM 288 CD GLU A 19 -5.484 -6.416 7.386 1.00 0.00 C ATOM 289 OE1 GLU A 19 -5.466 -6.148 8.577 1.00 0.00 O ATOM 290 OE2 GLU A 19 -6.097 -7.355 6.907 1.00 0.00 O ATOM 0 H GLU A 19 -4.629 -3.420 4.809 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.438 -3.411 7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.411 -3.816 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.360 -4.317 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.256 -5.346 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.759 -6.005 6.150 1.00 0.00 H new ATOM 297 N ALA A 20 -4.519 -0.951 6.432 1.00 0.00 N ATOM 298 CA ALA A 20 -4.124 0.417 6.874 1.00 0.00 C ATOM 299 C ALA A 20 -5.358 1.315 6.992 1.00 0.00 C ATOM 300 O ALA A 20 -5.617 1.899 8.024 1.00 0.00 O ATOM 301 CB ALA A 20 -3.189 0.932 5.780 1.00 0.00 C ATOM 0 H ALA A 20 -4.307 -1.170 5.459 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.643 0.411 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.853 1.938 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.326 0.271 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.720 0.955 4.828 1.00 0.00 H new ATOM 307 N ILE A 21 -6.121 1.430 5.940 1.00 0.00 N ATOM 308 CA ILE A 21 -7.337 2.291 5.992 1.00 0.00 C ATOM 309 C ILE A 21 -8.599 1.424 5.999 1.00 0.00 C ATOM 310 O ILE A 21 -9.583 1.750 6.633 1.00 0.00 O ATOM 311 CB ILE A 21 -7.275 3.148 4.725 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.406 2.252 3.489 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.937 3.886 4.675 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.243 3.099 2.225 1.00 0.00 C ATOM 0 H ILE A 21 -5.956 0.966 5.047 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.370 2.904 6.893 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.092 3.870 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.650 1.467 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.378 1.758 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.892 4.497 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.842 4.526 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.122 3.162 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.336 2.462 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.016 3.867 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.261 3.572 2.228 1.00 0.00 H new ATOM 326 N GLY A 22 -8.577 0.320 5.305 1.00 0.00 N ATOM 327 CA GLY A 22 -9.775 -0.567 5.281 1.00 0.00 C ATOM 328 C GLY A 22 -10.164 -0.884 3.835 1.00 0.00 C ATOM 329 O GLY A 22 -11.220 -1.425 3.574 1.00 0.00 O ATOM 0 H GLY A 22 -7.783 -0.006 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.565 -1.491 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.607 -0.082 5.792 1.00 0.00 H new ATOM 333 N LYS A 23 -9.324 -0.556 2.890 1.00 0.00 N ATOM 334 CA LYS A 23 -9.661 -0.844 1.467 1.00 0.00 C ATOM 335 C LYS A 23 -8.450 -1.439 0.741 1.00 0.00 C ATOM 336 O LYS A 23 -7.337 -0.972 0.884 1.00 0.00 O ATOM 337 CB LYS A 23 -10.035 0.510 0.866 1.00 0.00 C ATOM 338 CG LYS A 23 -11.083 0.307 -0.228 1.00 0.00 C ATOM 339 CD LYS A 23 -11.711 1.655 -0.588 1.00 0.00 C ATOM 340 CE LYS A 23 -12.823 1.440 -1.616 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.755 2.584 -1.418 1.00 0.00 N ATOM 0 H LYS A 23 -8.423 -0.103 3.041 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.470 -1.569 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.425 1.169 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.150 0.994 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.622 -0.139 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.852 -0.385 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.114 2.131 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.952 2.326 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.425 1.426 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.328 0.487 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.546 2.507 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.123 2.568 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.248 3.477 -1.582 1.00 0.00 H new ATOM 355 N ALA A 24 -8.662 -2.465 -0.038 1.00 0.00 N ATOM 356 CA ALA A 24 -7.525 -3.092 -0.774 1.00 0.00 C ATOM 357 C ALA A 24 -7.282 -2.357 -2.096 1.00 0.00 C ATOM 358 O ALA A 24 -7.643 -2.828 -3.157 1.00 0.00 O ATOM 359 CB ALA A 24 -7.971 -4.531 -1.034 1.00 0.00 C ATOM 0 H ALA A 24 -9.572 -2.896 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.592 -3.049 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.187 -5.063 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.160 -5.031 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.884 -4.527 -1.630 1.00 0.00 H new ATOM 365 N ALA A 25 -6.669 -1.206 -2.041 1.00 0.00 N ATOM 366 CA ALA A 25 -6.402 -0.441 -3.292 1.00 0.00 C ATOM 367 C ALA A 25 -5.131 0.397 -3.129 1.00 0.00 C ATOM 368 O ALA A 25 -5.170 1.510 -2.643 1.00 0.00 O ATOM 369 CB ALA A 25 -7.620 0.463 -3.475 1.00 0.00 C ATOM 0 H ALA A 25 -6.341 -0.762 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.250 -1.093 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.498 1.060 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.517 -0.149 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.715 1.124 -2.614 1.00 0.00 H new ATOM 375 N GLY A 26 -4.005 -0.130 -3.525 1.00 0.00 N ATOM 376 CA GLY A 26 -2.736 0.638 -3.383 1.00 0.00 C ATOM 377 C GLY A 26 -1.641 -0.002 -4.238 1.00 0.00 C ATOM 378 O GLY A 26 -1.851 -1.010 -4.883 1.00 0.00 O ATOM 0 H GLY A 26 -3.909 -1.057 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.891 1.672 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.428 0.658 -2.338 1.00 0.00 H new ATOM 382 N LYS A 27 -0.472 0.576 -4.245 1.00 0.00 N ATOM 383 CA LYS A 27 0.642 0.005 -5.055 1.00 0.00 C ATOM 384 C LYS A 27 1.969 0.158 -4.307 1.00 0.00 C ATOM 385 O LYS A 27 2.007 0.602 -3.177 1.00 0.00 O ATOM 386 CB LYS A 27 0.657 0.828 -6.344 1.00 0.00 C ATOM 387 CG LYS A 27 -0.750 0.867 -6.945 1.00 0.00 C ATOM 388 CD LYS A 27 -0.689 1.466 -8.352 1.00 0.00 C ATOM 389 CE LYS A 27 0.040 2.812 -8.303 1.00 0.00 C ATOM 390 NZ LYS A 27 1.396 2.533 -8.849 1.00 0.00 N ATOM 0 H LYS A 27 -0.239 1.421 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 27 0.507 -1.059 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.003 1.841 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.356 0.392 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.168 -0.139 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.410 1.462 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.171 0.784 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.697 1.600 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.478 3.564 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.095 3.194 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.116 2.869 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.508 1.509 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.513 3.026 -9.757 1.00 0.00 H new ATOM 404 N CYS A 28 3.058 -0.207 -4.927 1.00 0.00 N ATOM 405 CA CYS A 28 4.379 -0.079 -4.247 1.00 0.00 C ATOM 406 C CYS A 28 5.391 0.592 -5.181 1.00 0.00 C ATOM 407 O CYS A 28 5.694 0.095 -6.247 1.00 0.00 O ATOM 408 CB CYS A 28 4.801 -1.517 -3.931 1.00 0.00 C ATOM 409 SG CYS A 28 6.562 -1.560 -3.505 1.00 0.00 S ATOM 0 H CYS A 28 3.091 -0.587 -5.873 1.00 0.00 H new ATOM 0 HA CYS A 28 4.326 0.535 -3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.208 -1.906 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.610 -2.159 -4.791 1.00 0.00 H new ATOM 414 N MET A 29 5.919 1.718 -4.782 1.00 0.00 N ATOM 415 CA MET A 29 6.915 2.425 -5.638 1.00 0.00 C ATOM 416 C MET A 29 7.950 3.129 -4.757 1.00 0.00 C ATOM 417 O MET A 29 7.639 3.610 -3.686 1.00 0.00 O ATOM 418 CB MET A 29 6.102 3.447 -6.433 1.00 0.00 C ATOM 419 CG MET A 29 5.330 4.349 -5.466 1.00 0.00 C ATOM 420 SD MET A 29 5.611 6.082 -5.904 1.00 0.00 S ATOM 421 CE MET A 29 4.932 5.999 -7.580 1.00 0.00 C ATOM 0 H MET A 29 5.703 2.180 -3.898 1.00 0.00 H new ATOM 0 HA MET A 29 7.459 1.744 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.764 4.047 -7.057 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.409 2.936 -7.102 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.265 4.120 -5.509 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.654 4.164 -4.442 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.748 5.988 -8.303 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.339 5.091 -7.688 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.300 6.868 -7.760 1.00 0.00 H new ATOM 431 N ASN A 30 9.178 3.190 -5.194 1.00 0.00 N ATOM 432 CA ASN A 30 10.222 3.861 -4.369 1.00 0.00 C ATOM 433 C ASN A 30 10.309 3.190 -2.996 1.00 0.00 C ATOM 434 O ASN A 30 10.664 3.808 -2.012 1.00 0.00 O ATOM 435 CB ASN A 30 9.747 5.308 -4.228 1.00 0.00 C ATOM 436 CG ASN A 30 10.735 6.242 -4.931 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.788 6.542 -4.402 1.00 0.00 O ATOM 438 ND2 ASN A 30 10.436 6.721 -6.108 1.00 0.00 N ATOM 0 H ASN A 30 9.502 2.806 -6.082 1.00 0.00 H new ATOM 0 HA ASN A 30 11.212 3.801 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.753 5.419 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.666 5.574 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.086 7.347 -6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.553 6.469 -6.552 1.00 0.00 H new ATOM 445 N GLY A 31 9.981 1.928 -2.923 1.00 0.00 N ATOM 446 CA GLY A 31 10.038 1.218 -1.616 1.00 0.00 C ATOM 447 C GLY A 31 8.989 1.805 -0.672 1.00 0.00 C ATOM 448 O GLY A 31 9.156 1.814 0.532 1.00 0.00 O ATOM 0 H GLY A 31 9.676 1.359 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.858 0.153 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.032 1.317 -1.179 1.00 0.00 H new ATOM 452 N LYS A 32 7.906 2.298 -1.209 1.00 0.00 N ATOM 453 CA LYS A 32 6.848 2.888 -0.340 1.00 0.00 C ATOM 454 C LYS A 32 5.491 2.245 -0.642 1.00 0.00 C ATOM 455 O LYS A 32 5.284 1.672 -1.692 1.00 0.00 O ATOM 456 CB LYS A 32 6.828 4.374 -0.693 1.00 0.00 C ATOM 457 CG LYS A 32 7.718 5.143 0.285 1.00 0.00 C ATOM 458 CD LYS A 32 6.996 6.410 0.746 1.00 0.00 C ATOM 459 CE LYS A 32 5.981 6.053 1.835 1.00 0.00 C ATOM 460 NZ LYS A 32 6.446 6.782 3.047 1.00 0.00 N ATOM 0 H LYS A 32 7.708 2.318 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 32 7.046 2.723 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.180 4.521 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.808 4.755 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.959 4.516 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.662 5.404 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.717 7.133 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.490 6.880 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.974 6.359 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.950 4.977 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.800 6.587 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.405 6.465 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.459 7.804 2.854 1.00 0.00 H new ATOM 474 N CYS A 33 4.570 2.336 0.277 1.00 0.00 N ATOM 475 CA CYS A 33 3.227 1.728 0.051 1.00 0.00 C ATOM 476 C CYS A 33 2.190 2.827 -0.194 1.00 0.00 C ATOM 477 O CYS A 33 1.966 3.678 0.644 1.00 0.00 O ATOM 478 CB CYS A 33 2.922 0.984 1.349 1.00 0.00 C ATOM 479 SG CYS A 33 2.158 -0.614 0.977 1.00 0.00 S ATOM 0 H CYS A 33 4.688 2.805 1.175 1.00 0.00 H new ATOM 0 HA CYS A 33 3.203 1.069 -0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.840 0.835 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.255 1.580 1.972 1.00 0.00 H new ATOM 484 N LYS A 34 1.557 2.819 -1.334 1.00 0.00 N ATOM 485 CA LYS A 34 0.539 3.869 -1.624 1.00 0.00 C ATOM 486 C LYS A 34 -0.871 3.285 -1.516 1.00 0.00 C ATOM 487 O LYS A 34 -1.195 2.303 -2.152 1.00 0.00 O ATOM 488 CB LYS A 34 0.824 4.311 -3.060 1.00 0.00 C ATOM 489 CG LYS A 34 2.044 5.234 -3.081 1.00 0.00 C ATOM 490 CD LYS A 34 2.021 6.076 -4.357 1.00 0.00 C ATOM 491 CE LYS A 34 2.071 5.155 -5.579 1.00 0.00 C ATOM 492 NZ LYS A 34 0.869 5.516 -6.382 1.00 0.00 N ATOM 0 H LYS A 34 1.699 2.133 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 34 0.594 4.700 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.004 3.440 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.043 4.828 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.039 5.882 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.960 4.645 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.119 6.687 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.870 6.760 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.987 5.306 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.048 4.106 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.984 5.167 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.024 5.084 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.759 6.550 -6.396 1.00 0.00 H new ATOM 506 N CYS A 35 -1.715 3.885 -0.721 1.00 0.00 N ATOM 507 CA CYS A 35 -3.105 3.366 -0.578 1.00 0.00 C ATOM 508 C CYS A 35 -4.110 4.432 -1.024 1.00 0.00 C ATOM 509 O CYS A 35 -3.926 5.609 -0.785 1.00 0.00 O ATOM 510 CB CYS A 35 -3.270 3.063 0.912 1.00 0.00 C ATOM 511 SG CYS A 35 -1.914 2.002 1.471 1.00 0.00 S ATOM 0 H CYS A 35 -1.502 4.713 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.281 2.482 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.278 3.991 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.227 2.571 1.090 1.00 0.00 H new ATOM 516 N TYR A 36 -5.169 4.032 -1.673 1.00 0.00 N ATOM 517 CA TYR A 36 -6.178 5.027 -2.134 1.00 0.00 C ATOM 518 C TYR A 36 -7.476 4.879 -1.324 1.00 0.00 C ATOM 519 O TYR A 36 -8.038 3.803 -1.264 1.00 0.00 O ATOM 520 CB TYR A 36 -6.421 4.685 -3.604 1.00 0.00 C ATOM 521 CG TYR A 36 -5.260 5.179 -4.433 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.126 4.377 -4.596 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.319 6.441 -5.038 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.048 4.835 -5.363 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.241 6.900 -5.804 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.105 6.096 -5.967 1.00 0.00 C ATOM 527 OH TYR A 36 -2.042 6.549 -6.723 1.00 0.00 O ATOM 0 H TYR A 36 -5.379 3.061 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.839 6.055 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.535 3.608 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.348 5.144 -3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.082 3.404 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.196 7.059 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.173 4.215 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.285 7.874 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.245 7.442 -7.071 1.00 0.00 H new ATOM 537 N PRO A 37 -7.919 5.961 -0.724 1.00 0.00 N ATOM 538 CA PRO A 37 -9.162 5.927 0.082 1.00 0.00 C ATOM 539 C PRO A 37 -10.362 5.561 -0.797 1.00 0.00 C ATOM 540 O PRO A 37 -11.467 5.548 -0.281 1.00 0.00 O ATOM 541 CB PRO A 37 -9.274 7.366 0.595 1.00 0.00 C ATOM 542 CG PRO A 37 -8.081 8.177 0.057 1.00 0.00 C ATOM 543 CD PRO A 37 -7.213 7.260 -0.815 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.152 5.302 -1.970 1.00 0.00 O ATOM 0 HA PRO A 37 -9.144 5.187 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.213 7.812 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.279 7.379 1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.435 9.028 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.494 8.578 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.153 7.617 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.192 7.193 -0.440 1.00 0.00 H new TER 552 PRO A 37