USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=6 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+ -152:sc= -0.157 (180deg=-1.27!) USER MOD Single : A 4 ASN : amide:sc= -2.09! C(o=-2.1!,f=-8!) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= -0.278 (180deg=-1.4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -151:sc= -0.306 (180deg=-2.22!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0298 K(o=-0.03,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= -0.0101 (180deg=-0.0469) USER MOD Single : A 36 TYR OH : rot 37:sc= -0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.106 9.026 1.824 1.00 0.00 N ATOM 2 CA VAL A 1 -2.738 8.094 2.929 1.00 0.00 C ATOM 3 C VAL A 1 -1.616 7.154 2.478 1.00 0.00 C ATOM 4 O VAL A 1 -1.837 5.989 2.212 1.00 0.00 O ATOM 5 CB VAL A 1 -4.014 7.308 3.226 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.746 6.297 4.341 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.113 8.275 3.672 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.475 9.912 2.225 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.265 9.231 1.248 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.835 8.586 1.227 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.372 8.621 3.810 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.332 6.780 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.657 5.737 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.962 5.608 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.428 6.824 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.025 7.717 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.792 8.801 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.306 8.997 2.879 1.00 0.00 H new ATOM 19 N PHE A 2 -0.413 7.653 2.393 1.00 0.00 N ATOM 20 CA PHE A 2 0.726 6.792 1.962 1.00 0.00 C ATOM 21 C PHE A 2 1.513 6.312 3.185 1.00 0.00 C ATOM 22 O PHE A 2 1.652 7.021 4.162 1.00 0.00 O ATOM 23 CB PHE A 2 1.597 7.700 1.089 1.00 0.00 C ATOM 24 CG PHE A 2 1.060 7.735 -0.326 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.213 7.221 -0.613 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.837 8.284 -1.354 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.704 7.255 -1.923 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.345 8.319 -2.664 1.00 0.00 C ATOM 29 CZ PHE A 2 0.075 7.804 -2.949 1.00 0.00 C ATOM 0 H PHE A 2 -0.169 8.621 2.604 1.00 0.00 H new ATOM 0 HA PHE A 2 0.395 5.903 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.615 8.708 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.625 7.338 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.815 6.798 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.817 8.681 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.684 6.858 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.945 8.743 -3.455 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.304 7.830 -3.960 1.00 0.00 H new ATOM 39 N ILE A 3 2.031 5.115 3.139 1.00 0.00 N ATOM 40 CA ILE A 3 2.811 4.597 4.302 1.00 0.00 C ATOM 41 C ILE A 3 4.224 4.205 3.862 1.00 0.00 C ATOM 42 O ILE A 3 4.420 3.607 2.820 1.00 0.00 O ATOM 43 CB ILE A 3 2.041 3.371 4.789 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.772 2.437 3.608 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.712 3.812 5.404 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.394 1.049 4.130 1.00 0.00 C ATOM 0 H ILE A 3 1.949 4.474 2.350 1.00 0.00 H new ATOM 0 HA ILE A 3 2.920 5.345 5.087 1.00 0.00 H new ATOM 0 HB ILE A 3 2.631 2.847 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.967 2.837 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.657 2.370 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.163 2.936 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.904 4.477 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.120 4.337 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.202 0.384 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.213 0.650 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.497 1.123 4.745 1.00 0.00 H new ATOM 58 N ASN A 4 5.209 4.538 4.649 1.00 0.00 N ATOM 59 CA ASN A 4 6.613 4.189 4.285 1.00 0.00 C ATOM 60 C ASN A 4 6.875 2.703 4.543 1.00 0.00 C ATOM 61 O ASN A 4 7.971 2.214 4.348 1.00 0.00 O ATOM 62 CB ASN A 4 7.483 5.052 5.198 1.00 0.00 C ATOM 63 CG ASN A 4 7.206 4.690 6.658 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.061 3.532 6.992 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.125 5.641 7.549 1.00 0.00 N ATOM 0 H ASN A 4 5.103 5.038 5.531 1.00 0.00 H new ATOM 0 HA ASN A 4 6.823 4.369 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.537 4.896 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.272 6.108 5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.940 5.411 8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.247 6.614 7.269 1.00 0.00 H new ATOM 72 N ALA A 5 5.880 1.981 4.981 1.00 0.00 N ATOM 73 CA ALA A 5 6.078 0.527 5.251 1.00 0.00 C ATOM 74 C ALA A 5 6.897 -0.111 4.124 1.00 0.00 C ATOM 75 O ALA A 5 6.365 -0.506 3.106 1.00 0.00 O ATOM 76 CB ALA A 5 4.669 -0.063 5.292 1.00 0.00 C ATOM 0 H ALA A 5 4.940 2.333 5.163 1.00 0.00 H new ATOM 0 HA ALA A 5 6.621 0.348 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.728 -1.134 5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.096 0.419 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.176 0.105 4.334 1.00 0.00 H new ATOM 82 N LYS A 6 8.187 -0.208 4.299 1.00 0.00 N ATOM 83 CA LYS A 6 9.042 -0.818 3.238 1.00 0.00 C ATOM 84 C LYS A 6 8.430 -2.135 2.754 1.00 0.00 C ATOM 85 O LYS A 6 8.699 -3.189 3.295 1.00 0.00 O ATOM 86 CB LYS A 6 10.393 -1.068 3.911 1.00 0.00 C ATOM 87 CG LYS A 6 10.186 -1.873 5.198 1.00 0.00 C ATOM 88 CD LYS A 6 10.709 -3.299 5.001 1.00 0.00 C ATOM 89 CE LYS A 6 11.502 -3.731 6.238 1.00 0.00 C ATOM 90 NZ LYS A 6 12.664 -2.796 6.311 1.00 0.00 N ATOM 0 H LYS A 6 8.687 0.108 5.130 1.00 0.00 H new ATOM 0 HA LYS A 6 9.136 -0.174 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.053 -1.610 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.879 -0.119 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.708 -1.394 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.128 -1.896 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.877 -3.982 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.343 -3.346 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.890 -3.669 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.835 -4.765 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.509 -3.316 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.839 -2.385 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.455 -2.035 6.988 1.00 0.00 H new ATOM 104 N CYS A 7 7.608 -2.086 1.739 1.00 0.00 N ATOM 105 CA CYS A 7 6.984 -3.343 1.229 1.00 0.00 C ATOM 106 C CYS A 7 7.981 -4.116 0.359 1.00 0.00 C ATOM 107 O CYS A 7 9.137 -3.756 0.252 1.00 0.00 O ATOM 108 CB CYS A 7 5.773 -2.887 0.404 1.00 0.00 C ATOM 109 SG CYS A 7 6.310 -2.283 -1.220 1.00 0.00 S ATOM 0 H CYS A 7 7.343 -1.235 1.243 1.00 0.00 H new ATOM 0 HA CYS A 7 6.689 -4.014 2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.076 -3.716 0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.239 -2.099 0.934 1.00 0.00 H new ATOM 114 N ARG A 8 7.541 -5.172 -0.267 1.00 0.00 N ATOM 115 CA ARG A 8 8.462 -5.962 -1.133 1.00 0.00 C ATOM 116 C ARG A 8 8.052 -5.822 -2.601 1.00 0.00 C ATOM 117 O ARG A 8 8.867 -5.941 -3.496 1.00 0.00 O ATOM 118 CB ARG A 8 8.304 -7.410 -0.670 1.00 0.00 C ATOM 119 CG ARG A 8 9.354 -7.723 0.396 1.00 0.00 C ATOM 120 CD ARG A 8 10.733 -7.826 -0.262 1.00 0.00 C ATOM 121 NE ARG A 8 11.528 -8.695 0.649 1.00 0.00 N ATOM 122 CZ ARG A 8 12.723 -8.326 1.022 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.868 -7.338 1.863 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.771 -8.946 0.555 1.00 0.00 N ATOM 0 H ARG A 8 6.584 -5.522 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 8 9.495 -5.622 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.303 -7.567 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.417 -8.088 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.359 -6.942 1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.109 -8.658 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.663 -8.259 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.193 -6.844 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 8 11.139 -9.578 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.047 -6.855 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.802 -7.049 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.656 -9.718 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.705 -8.658 0.846 1.00 0.00 H new ATOM 138 N GLY A 9 6.797 -5.571 -2.857 1.00 0.00 N ATOM 139 CA GLY A 9 6.344 -5.427 -4.269 1.00 0.00 C ATOM 140 C GLY A 9 4.956 -4.785 -4.310 1.00 0.00 C ATOM 141 O GLY A 9 4.424 -4.360 -3.304 1.00 0.00 O ATOM 0 H GLY A 9 6.068 -5.460 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.053 -4.815 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.316 -6.404 -4.752 1.00 0.00 H new ATOM 145 N SER A 10 4.372 -4.711 -5.473 1.00 0.00 N ATOM 146 CA SER A 10 3.021 -4.096 -5.606 1.00 0.00 C ATOM 147 C SER A 10 1.926 -4.975 -4.974 1.00 0.00 C ATOM 148 O SER A 10 1.085 -4.472 -4.256 1.00 0.00 O ATOM 149 CB SER A 10 2.798 -3.970 -7.113 1.00 0.00 C ATOM 150 OG SER A 10 1.442 -4.266 -7.415 1.00 0.00 O ATOM 0 H SER A 10 4.776 -5.053 -6.345 1.00 0.00 H new ATOM 0 HA SER A 10 2.968 -3.138 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.044 -2.962 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.459 -4.652 -7.648 1.00 0.00 H new ATOM 0 HG SER A 10 1.297 -4.184 -8.381 1.00 0.00 H new ATOM 156 N PRO A 11 1.946 -6.257 -5.269 1.00 0.00 N ATOM 157 CA PRO A 11 0.914 -7.175 -4.725 1.00 0.00 C ATOM 158 C PRO A 11 0.957 -7.224 -3.193 1.00 0.00 C ATOM 159 O PRO A 11 0.075 -7.768 -2.559 1.00 0.00 O ATOM 160 CB PRO A 11 1.301 -8.522 -5.340 1.00 0.00 C ATOM 161 CG PRO A 11 2.543 -8.323 -6.227 1.00 0.00 C ATOM 162 CD PRO A 11 2.981 -6.854 -6.145 1.00 0.00 C ATOM 0 HA PRO A 11 -0.104 -6.869 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.510 -9.249 -4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.475 -8.919 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.351 -8.976 -5.897 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.317 -8.592 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.980 -6.752 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.002 -6.382 -7.127 1.00 0.00 H new ATOM 170 N GLU A 12 1.964 -6.654 -2.590 1.00 0.00 N ATOM 171 CA GLU A 12 2.037 -6.670 -1.099 1.00 0.00 C ATOM 172 C GLU A 12 1.267 -5.473 -0.536 1.00 0.00 C ATOM 173 O GLU A 12 0.865 -5.459 0.613 1.00 0.00 O ATOM 174 CB GLU A 12 3.525 -6.557 -0.768 1.00 0.00 C ATOM 175 CG GLU A 12 3.800 -7.223 0.582 1.00 0.00 C ATOM 176 CD GLU A 12 4.368 -8.624 0.355 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.572 -8.736 0.195 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.588 -9.563 0.342 1.00 0.00 O ATOM 0 H GLU A 12 2.735 -6.180 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 12 1.599 -7.571 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.119 -7.033 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.823 -5.509 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.504 -6.623 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.880 -7.282 1.164 1.00 0.00 H new ATOM 185 N CYS A 13 1.055 -4.471 -1.343 1.00 0.00 N ATOM 186 CA CYS A 13 0.308 -3.273 -0.870 1.00 0.00 C ATOM 187 C CYS A 13 -1.150 -3.639 -0.585 1.00 0.00 C ATOM 188 O CYS A 13 -1.754 -3.144 0.347 1.00 0.00 O ATOM 189 CB CYS A 13 0.394 -2.277 -2.026 1.00 0.00 C ATOM 190 SG CYS A 13 1.608 -0.996 -1.630 1.00 0.00 S ATOM 0 H CYS A 13 1.368 -4.430 -2.313 1.00 0.00 H new ATOM 0 HA CYS A 13 0.719 -2.865 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.679 -2.792 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.582 -1.825 -2.204 1.00 0.00 H new ATOM 195 N LEU A 14 -1.722 -4.503 -1.381 1.00 0.00 N ATOM 196 CA LEU A 14 -3.139 -4.897 -1.151 1.00 0.00 C ATOM 197 C LEU A 14 -3.359 -5.237 0.329 1.00 0.00 C ATOM 198 O LEU A 14 -4.174 -4.615 0.982 1.00 0.00 O ATOM 199 CB LEU A 14 -3.364 -6.117 -2.042 1.00 0.00 C ATOM 200 CG LEU A 14 -4.345 -5.756 -3.156 1.00 0.00 C ATOM 201 CD1 LEU A 14 -5.708 -5.422 -2.547 1.00 0.00 C ATOM 202 CD2 LEU A 14 -3.818 -4.539 -3.920 1.00 0.00 C ATOM 0 H LEU A 14 -1.269 -4.951 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.839 -4.097 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.418 -6.449 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.756 -6.945 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.449 -6.600 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.408 -5.164 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.083 -6.286 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.605 -4.577 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.516 -4.279 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.717 -3.696 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.846 -4.774 -4.353 1.00 0.00 H new ATOM 214 N PRO A 15 -2.621 -6.202 0.826 1.00 0.00 N ATOM 215 CA PRO A 15 -2.749 -6.590 2.249 1.00 0.00 C ATOM 216 C PRO A 15 -2.455 -5.386 3.146 1.00 0.00 C ATOM 217 O PRO A 15 -3.133 -5.145 4.125 1.00 0.00 O ATOM 218 CB PRO A 15 -1.671 -7.667 2.406 1.00 0.00 C ATOM 219 CG PRO A 15 -0.960 -7.854 1.052 1.00 0.00 C ATOM 220 CD PRO A 15 -1.635 -6.950 0.011 1.00 0.00 C ATOM 0 HA PRO A 15 -3.744 -6.940 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.953 -7.375 3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.119 -8.606 2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.097 -7.602 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.013 -8.896 0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.920 -6.284 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.116 -7.528 -0.778 1.00 0.00 H new ATOM 228 N LYS A 16 -1.445 -4.626 2.815 1.00 0.00 N ATOM 229 CA LYS A 16 -1.103 -3.435 3.643 1.00 0.00 C ATOM 230 C LYS A 16 -2.229 -2.399 3.581 1.00 0.00 C ATOM 231 O LYS A 16 -2.707 -1.930 4.593 1.00 0.00 O ATOM 232 CB LYS A 16 0.177 -2.878 3.020 1.00 0.00 C ATOM 233 CG LYS A 16 1.391 -3.465 3.743 1.00 0.00 C ATOM 234 CD LYS A 16 1.400 -4.985 3.572 1.00 0.00 C ATOM 235 CE LYS A 16 2.437 -5.599 4.515 1.00 0.00 C ATOM 236 NZ LYS A 16 1.896 -6.943 4.861 1.00 0.00 N ATOM 0 H LYS A 16 -0.842 -4.779 2.006 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.969 -3.688 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.216 -3.126 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.187 -1.791 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.309 -3.038 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.357 -3.208 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.412 -5.392 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.634 -5.244 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.411 -5.678 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.571 -4.986 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.553 -7.426 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.971 -6.836 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.785 -7.506 3.994 1.00 0.00 H new ATOM 250 N CYS A 17 -2.659 -2.040 2.400 1.00 0.00 N ATOM 251 CA CYS A 17 -3.756 -1.035 2.284 1.00 0.00 C ATOM 252 C CYS A 17 -4.989 -1.519 3.051 1.00 0.00 C ATOM 253 O CYS A 17 -5.601 -0.777 3.794 1.00 0.00 O ATOM 254 CB CYS A 17 -4.062 -0.947 0.787 1.00 0.00 C ATOM 255 SG CYS A 17 -2.654 -0.214 -0.083 1.00 0.00 S ATOM 0 H CYS A 17 -2.300 -2.397 1.515 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.475 -0.067 2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.270 -1.941 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.956 -0.345 0.624 1.00 0.00 H new ATOM 260 N LYS A 18 -5.352 -2.760 2.879 1.00 0.00 N ATOM 261 CA LYS A 18 -6.543 -3.295 3.600 1.00 0.00 C ATOM 262 C LYS A 18 -6.311 -3.231 5.111 1.00 0.00 C ATOM 263 O LYS A 18 -7.228 -3.031 5.882 1.00 0.00 O ATOM 264 CB LYS A 18 -6.669 -4.747 3.137 1.00 0.00 C ATOM 265 CG LYS A 18 -7.907 -5.380 3.777 1.00 0.00 C ATOM 266 CD LYS A 18 -8.613 -6.275 2.756 1.00 0.00 C ATOM 267 CE LYS A 18 -8.264 -7.740 3.033 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.790 -8.489 1.858 1.00 0.00 N ATOM 0 H LYS A 18 -4.876 -3.427 2.271 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.447 -2.723 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.747 -4.788 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.776 -5.307 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.618 -5.965 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.587 -4.602 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.692 -6.130 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.308 -6.002 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.188 -7.876 3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.722 -8.087 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.589 -9.503 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.818 -8.346 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.331 -8.142 0.991 1.00 0.00 H new ATOM 282 N GLU A 19 -5.090 -3.399 5.537 1.00 0.00 N ATOM 283 CA GLU A 19 -4.796 -3.346 6.998 1.00 0.00 C ATOM 284 C GLU A 19 -4.487 -1.909 7.423 1.00 0.00 C ATOM 285 O GLU A 19 -4.427 -1.597 8.596 1.00 0.00 O ATOM 286 CB GLU A 19 -3.568 -4.238 7.186 1.00 0.00 C ATOM 287 CG GLU A 19 -3.290 -4.417 8.679 1.00 0.00 C ATOM 288 CD GLU A 19 -1.811 -4.142 8.960 1.00 0.00 C ATOM 289 OE1 GLU A 19 -1.036 -4.159 8.018 1.00 0.00 O ATOM 290 OE2 GLU A 19 -1.479 -3.918 10.112 1.00 0.00 O ATOM 0 H GLU A 19 -4.283 -3.571 4.938 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.639 -3.680 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.735 -5.208 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.703 -3.792 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.914 -3.738 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.548 -5.430 8.989 1.00 0.00 H new ATOM 297 N ALA A 20 -4.293 -1.029 6.478 1.00 0.00 N ATOM 298 CA ALA A 20 -3.989 0.388 6.829 1.00 0.00 C ATOM 299 C ALA A 20 -5.289 1.158 7.079 1.00 0.00 C ATOM 300 O ALA A 20 -5.438 1.836 8.076 1.00 0.00 O ATOM 301 CB ALA A 20 -3.260 0.951 5.608 1.00 0.00 C ATOM 0 H ALA A 20 -4.332 -1.230 5.479 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.389 0.471 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.001 1.994 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.351 0.377 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.908 0.884 4.734 1.00 0.00 H new ATOM 307 N ILE A 21 -6.231 1.056 6.183 1.00 0.00 N ATOM 308 CA ILE A 21 -7.521 1.780 6.369 1.00 0.00 C ATOM 309 C ILE A 21 -8.695 0.801 6.275 1.00 0.00 C ATOM 310 O ILE A 21 -9.699 0.956 6.941 1.00 0.00 O ATOM 311 CB ILE A 21 -7.580 2.801 5.230 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.110 2.149 3.926 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.673 3.989 5.559 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.168 3.172 2.790 1.00 0.00 C ATOM 0 H ILE A 21 -6.164 0.502 5.329 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.584 2.261 7.345 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.607 3.147 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.092 1.775 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.740 1.291 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.716 4.715 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.009 4.458 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.647 3.641 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.833 2.706 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.192 3.524 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.520 4.016 3.027 1.00 0.00 H new ATOM 326 N GLY A 22 -8.578 -0.204 5.452 1.00 0.00 N ATOM 327 CA GLY A 22 -9.687 -1.189 5.317 1.00 0.00 C ATOM 328 C GLY A 22 -10.133 -1.249 3.856 1.00 0.00 C ATOM 329 O GLY A 22 -11.267 -1.565 3.554 1.00 0.00 O ATOM 0 H GLY A 22 -7.762 -0.386 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.357 -2.173 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.524 -0.901 5.953 1.00 0.00 H new ATOM 333 N LYS A 23 -9.248 -0.947 2.948 1.00 0.00 N ATOM 334 CA LYS A 23 -9.613 -0.983 1.505 1.00 0.00 C ATOM 335 C LYS A 23 -8.615 -1.855 0.737 1.00 0.00 C ATOM 336 O LYS A 23 -7.974 -2.720 1.300 1.00 0.00 O ATOM 337 CB LYS A 23 -9.529 0.475 1.047 1.00 0.00 C ATOM 338 CG LYS A 23 -10.731 1.250 1.590 1.00 0.00 C ATOM 339 CD LYS A 23 -11.568 1.772 0.420 1.00 0.00 C ATOM 340 CE LYS A 23 -12.814 2.481 0.958 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.929 1.521 0.730 1.00 0.00 N ATOM 0 H LYS A 23 -8.284 -0.676 3.144 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.602 -1.406 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.602 0.926 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.512 0.525 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.337 0.605 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.393 2.081 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.978 2.461 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.859 0.946 -0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.707 2.719 2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.990 3.422 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.819 1.935 1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.011 1.319 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.737 0.638 1.244 1.00 0.00 H new ATOM 355 N ALA A 24 -8.476 -1.637 -0.541 1.00 0.00 N ATOM 356 CA ALA A 24 -7.518 -2.453 -1.339 1.00 0.00 C ATOM 357 C ALA A 24 -7.179 -1.735 -2.646 1.00 0.00 C ATOM 358 O ALA A 24 -7.148 -2.329 -3.705 1.00 0.00 O ATOM 359 CB ALA A 24 -8.251 -3.765 -1.619 1.00 0.00 C ATOM 0 H ALA A 24 -8.985 -0.928 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.577 -2.619 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.609 -4.423 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.503 -4.250 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.165 -3.559 -2.176 1.00 0.00 H new ATOM 365 N ALA A 25 -6.924 -0.459 -2.577 1.00 0.00 N ATOM 366 CA ALA A 25 -6.585 0.303 -3.813 1.00 0.00 C ATOM 367 C ALA A 25 -5.289 1.090 -3.606 1.00 0.00 C ATOM 368 O ALA A 25 -5.280 2.138 -2.990 1.00 0.00 O ATOM 369 CB ALA A 25 -7.763 1.253 -4.026 1.00 0.00 C ATOM 0 H ALA A 25 -6.935 0.091 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.427 -0.348 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.590 1.852 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.679 0.675 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.861 1.910 -3.162 1.00 0.00 H new ATOM 375 N GLY A 26 -4.195 0.593 -4.112 1.00 0.00 N ATOM 376 CA GLY A 26 -2.902 1.310 -3.941 1.00 0.00 C ATOM 377 C GLY A 26 -1.773 0.480 -4.553 1.00 0.00 C ATOM 378 O GLY A 26 -1.966 -0.655 -4.943 1.00 0.00 O ATOM 0 H GLY A 26 -4.141 -0.280 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.950 2.288 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.707 1.483 -2.883 1.00 0.00 H new ATOM 382 N LYS A 27 -0.595 1.033 -4.635 1.00 0.00 N ATOM 383 CA LYS A 27 0.548 0.274 -5.217 1.00 0.00 C ATOM 384 C LYS A 27 1.807 0.529 -4.388 1.00 0.00 C ATOM 385 O LYS A 27 1.765 1.207 -3.381 1.00 0.00 O ATOM 386 CB LYS A 27 0.713 0.824 -6.634 1.00 0.00 C ATOM 387 CG LYS A 27 -0.634 0.784 -7.358 1.00 0.00 C ATOM 388 CD LYS A 27 -0.442 1.185 -8.823 1.00 0.00 C ATOM 389 CE LYS A 27 -0.331 2.709 -8.927 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.619 3.228 -8.387 1.00 0.00 N ATOM 0 H LYS A 27 -0.374 1.979 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 27 0.377 -0.802 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.088 1.847 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.449 0.235 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.061 -0.217 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.338 1.461 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.457 0.716 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.281 0.830 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.517 3.083 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.181 3.024 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.845 4.136 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.378 2.545 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.534 3.366 -7.360 1.00 0.00 H new ATOM 404 N CYS A 28 2.926 -0.002 -4.795 1.00 0.00 N ATOM 405 CA CYS A 28 4.168 0.231 -4.009 1.00 0.00 C ATOM 406 C CYS A 28 5.315 0.649 -4.934 1.00 0.00 C ATOM 407 O CYS A 28 5.534 0.061 -5.974 1.00 0.00 O ATOM 408 CB CYS A 28 4.475 -1.102 -3.328 1.00 0.00 C ATOM 409 SG CYS A 28 5.025 -0.783 -1.633 1.00 0.00 S ATOM 0 H CYS A 28 3.034 -0.581 -5.628 1.00 0.00 H new ATOM 0 HA CYS A 28 4.046 1.033 -3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.588 -1.736 -3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.247 -1.638 -3.880 1.00 0.00 H new ATOM 414 N MET A 29 6.045 1.665 -4.560 1.00 0.00 N ATOM 415 CA MET A 29 7.177 2.129 -5.413 1.00 0.00 C ATOM 416 C MET A 29 8.338 2.606 -4.536 1.00 0.00 C ATOM 417 O MET A 29 8.139 3.147 -3.467 1.00 0.00 O ATOM 418 CB MET A 29 6.606 3.294 -6.222 1.00 0.00 C ATOM 419 CG MET A 29 6.814 3.034 -7.715 1.00 0.00 C ATOM 420 SD MET A 29 6.502 4.558 -8.641 1.00 0.00 S ATOM 421 CE MET A 29 7.004 3.946 -10.269 1.00 0.00 C ATOM 0 H MET A 29 5.906 2.194 -3.699 1.00 0.00 H new ATOM 0 HA MET A 29 7.566 1.337 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.544 3.412 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.095 4.224 -5.933 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.831 2.687 -7.897 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.143 2.245 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.890 4.740 -11.007 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.047 3.631 -10.234 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.378 3.098 -10.548 1.00 0.00 H new ATOM 431 N ASN A 30 9.549 2.410 -4.981 1.00 0.00 N ATOM 432 CA ASN A 30 10.726 2.853 -4.176 1.00 0.00 C ATOM 433 C ASN A 30 10.711 2.204 -2.789 1.00 0.00 C ATOM 434 O ASN A 30 11.431 2.609 -1.898 1.00 0.00 O ATOM 435 CB ASN A 30 10.580 4.371 -4.061 1.00 0.00 C ATOM 436 CG ASN A 30 10.676 4.999 -5.454 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.071 4.347 -6.401 1.00 0.00 O ATOM 438 ND2 ASN A 30 10.328 6.245 -5.619 1.00 0.00 N ATOM 0 H ASN A 30 9.776 1.962 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 30 11.669 2.566 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.623 4.622 -3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.359 4.774 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.387 6.673 -6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.997 6.792 -4.824 1.00 0.00 H new ATOM 445 N GLY A 31 9.906 1.195 -2.598 1.00 0.00 N ATOM 446 CA GLY A 31 9.863 0.520 -1.269 1.00 0.00 C ATOM 447 C GLY A 31 8.827 1.197 -0.366 1.00 0.00 C ATOM 448 O GLY A 31 8.981 1.248 0.838 1.00 0.00 O ATOM 0 H GLY A 31 9.277 0.809 -3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.613 -0.533 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.846 0.560 -0.800 1.00 0.00 H new ATOM 452 N LYS A 32 7.770 1.710 -0.933 1.00 0.00 N ATOM 453 CA LYS A 32 6.726 2.373 -0.098 1.00 0.00 C ATOM 454 C LYS A 32 5.337 2.047 -0.651 1.00 0.00 C ATOM 455 O LYS A 32 5.149 1.944 -1.845 1.00 0.00 O ATOM 456 CB LYS A 32 7.011 3.871 -0.211 1.00 0.00 C ATOM 457 CG LYS A 32 8.168 4.245 0.719 1.00 0.00 C ATOM 458 CD LYS A 32 9.095 5.229 0.003 1.00 0.00 C ATOM 459 CE LYS A 32 9.218 6.511 0.829 1.00 0.00 C ATOM 460 NZ LYS A 32 8.225 7.448 0.233 1.00 0.00 N ATOM 0 H LYS A 32 7.583 1.700 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 32 6.749 2.037 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.261 4.127 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.120 4.442 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.783 4.692 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.721 3.351 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.078 4.780 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.703 5.459 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.003 6.325 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.227 6.919 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.249 8.352 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.459 7.611 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.273 7.036 0.303 1.00 0.00 H new ATOM 474 N CYS A 33 4.364 1.879 0.204 1.00 0.00 N ATOM 475 CA CYS A 33 2.995 1.548 -0.288 1.00 0.00 C ATOM 476 C CYS A 33 2.150 2.816 -0.443 1.00 0.00 C ATOM 477 O CYS A 33 2.301 3.769 0.294 1.00 0.00 O ATOM 478 CB CYS A 33 2.399 0.636 0.784 1.00 0.00 C ATOM 479 SG CYS A 33 0.952 -0.215 0.113 1.00 0.00 S ATOM 0 H CYS A 33 4.457 1.956 1.217 1.00 0.00 H new ATOM 0 HA CYS A 33 3.020 1.071 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.142 -0.091 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.117 1.221 1.659 1.00 0.00 H new ATOM 484 N LYS A 34 1.257 2.828 -1.397 1.00 0.00 N ATOM 485 CA LYS A 34 0.397 4.029 -1.601 1.00 0.00 C ATOM 486 C LYS A 34 -1.069 3.610 -1.757 1.00 0.00 C ATOM 487 O LYS A 34 -1.493 3.188 -2.814 1.00 0.00 O ATOM 488 CB LYS A 34 0.910 4.667 -2.893 1.00 0.00 C ATOM 489 CG LYS A 34 2.328 5.199 -2.675 1.00 0.00 C ATOM 490 CD LYS A 34 3.325 4.328 -3.443 1.00 0.00 C ATOM 491 CE LYS A 34 3.133 4.537 -4.947 1.00 0.00 C ATOM 492 NZ LYS A 34 4.121 5.586 -5.321 1.00 0.00 N ATOM 0 H LYS A 34 1.086 2.058 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 34 0.443 4.718 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.906 3.933 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.249 5.479 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.396 6.233 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.570 5.196 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.345 4.585 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.178 3.278 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.310 3.614 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.115 4.855 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.096 5.735 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.884 6.475 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.074 5.282 -5.038 1.00 0.00 H new ATOM 506 N CYS A 35 -1.846 3.722 -0.715 1.00 0.00 N ATOM 507 CA CYS A 35 -3.284 3.330 -0.813 1.00 0.00 C ATOM 508 C CYS A 35 -4.159 4.579 -0.961 1.00 0.00 C ATOM 509 O CYS A 35 -3.683 5.694 -0.890 1.00 0.00 O ATOM 510 CB CYS A 35 -3.604 2.608 0.501 1.00 0.00 C ATOM 511 SG CYS A 35 -2.253 1.481 0.940 1.00 0.00 S ATOM 0 H CYS A 35 -1.550 4.067 0.198 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.475 2.695 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.753 3.337 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.535 2.050 0.401 1.00 0.00 H new ATOM 516 N TYR A 36 -5.437 4.401 -1.162 1.00 0.00 N ATOM 517 CA TYR A 36 -6.342 5.579 -1.309 1.00 0.00 C ATOM 518 C TYR A 36 -7.685 5.302 -0.622 1.00 0.00 C ATOM 519 O TYR A 36 -8.020 4.163 -0.366 1.00 0.00 O ATOM 520 CB TYR A 36 -6.539 5.746 -2.817 1.00 0.00 C ATOM 521 CG TYR A 36 -5.349 6.462 -3.406 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.976 7.721 -2.919 1.00 0.00 C ATOM 523 CD2 TYR A 36 -4.619 5.869 -4.442 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.873 8.385 -3.467 1.00 0.00 C ATOM 525 CE2 TYR A 36 -3.515 6.533 -4.991 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.143 7.792 -4.504 1.00 0.00 C ATOM 527 OH TYR A 36 -2.055 8.446 -5.045 1.00 0.00 O ATOM 0 H TYR A 36 -5.894 3.492 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.927 6.477 -0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.659 4.771 -3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.450 6.310 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.540 8.180 -2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.907 4.899 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.585 9.355 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.951 6.074 -5.790 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.573 8.921 -4.336 1.00 0.00 H new ATOM 537 N PRO A 37 -8.416 6.354 -0.347 1.00 0.00 N ATOM 538 CA PRO A 37 -9.733 6.211 0.317 1.00 0.00 C ATOM 539 C PRO A 37 -10.691 5.401 -0.561 1.00 0.00 C ATOM 540 O PRO A 37 -11.771 5.894 -0.840 1.00 0.00 O ATOM 541 CB PRO A 37 -10.204 7.663 0.448 1.00 0.00 C ATOM 542 CG PRO A 37 -9.128 8.589 -0.152 1.00 0.00 C ATOM 543 CD PRO A 37 -7.971 7.728 -0.678 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.325 4.300 -0.942 1.00 0.00 O ATOM 0 HA PRO A 37 -9.688 5.686 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.153 7.801 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.375 7.912 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.552 9.186 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.766 9.286 0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.823 7.859 -1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.027 7.977 -0.193 1.00 0.00 H new TER 552 PRO A 37