USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=3 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+ -154:sc= -0.28 (180deg=-1.56!) USER MOD Single : A 4 ASN : amide:sc= -0.252 K(o=-0.25,f=-3.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) 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 Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.956 9.467 0.763 1.00 0.00 N ATOM 2 CA VAL A 1 -2.204 8.534 1.900 1.00 0.00 C ATOM 3 C VAL A 1 -1.257 7.333 1.814 1.00 0.00 C ATOM 4 O VAL A 1 -1.685 6.202 1.694 1.00 0.00 O ATOM 5 CB VAL A 1 -3.655 8.083 1.733 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.059 7.210 2.923 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.564 9.313 1.672 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.243 10.429 1.035 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.944 9.462 0.524 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.508 9.162 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.032 9.007 2.867 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.754 7.509 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.094 6.889 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.410 6.335 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.961 7.783 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.600 8.995 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.464 9.885 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.276 9.936 0.825 1.00 0.00 H new ATOM 19 N PHE A 2 0.024 7.570 1.872 1.00 0.00 N ATOM 20 CA PHE A 2 0.995 6.439 1.791 1.00 0.00 C ATOM 21 C PHE A 2 1.584 6.148 3.173 1.00 0.00 C ATOM 22 O PHE A 2 1.322 6.849 4.131 1.00 0.00 O ATOM 23 CB PHE A 2 2.088 6.922 0.834 1.00 0.00 C ATOM 24 CG PHE A 2 1.504 7.182 -0.540 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.199 6.770 -0.847 1.00 0.00 C ATOM 26 CD2 PHE A 2 2.274 7.837 -1.508 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.332 7.014 -2.120 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.743 8.081 -2.781 1.00 0.00 C ATOM 29 CZ PHE A 2 0.441 7.669 -3.086 1.00 0.00 C ATOM 0 H PHE A 2 0.442 8.495 1.972 1.00 0.00 H new ATOM 0 HA PHE A 2 0.527 5.518 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.544 7.833 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.878 6.174 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.397 6.264 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.279 8.155 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.337 6.697 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.338 8.587 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.032 7.857 -4.068 1.00 0.00 H new ATOM 39 N ILE A 3 2.380 5.120 3.284 1.00 0.00 N ATOM 40 CA ILE A 3 2.988 4.788 4.605 1.00 0.00 C ATOM 41 C ILE A 3 4.431 4.308 4.417 1.00 0.00 C ATOM 42 O ILE A 3 4.784 3.749 3.396 1.00 0.00 O ATOM 43 CB ILE A 3 2.117 3.669 5.183 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.785 2.656 4.087 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.821 4.264 5.735 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.474 1.299 4.722 1.00 0.00 C ATOM 0 H ILE A 3 2.636 4.496 2.519 1.00 0.00 H new ATOM 0 HA ILE A 3 3.024 5.652 5.269 1.00 0.00 H new ATOM 0 HB ILE A 3 2.659 3.169 5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.931 3.001 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.624 2.563 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.201 3.467 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.056 4.983 6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.281 4.767 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.237 0.577 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.341 0.953 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.622 1.399 5.394 1.00 0.00 H new ATOM 58 N ASN A 4 5.266 4.529 5.397 1.00 0.00 N ATOM 59 CA ASN A 4 6.690 4.095 5.283 1.00 0.00 C ATOM 60 C ASN A 4 6.782 2.571 5.151 1.00 0.00 C ATOM 61 O ASN A 4 7.832 2.030 4.872 1.00 0.00 O ATOM 62 CB ASN A 4 7.346 4.558 6.584 1.00 0.00 C ATOM 63 CG ASN A 4 6.871 3.671 7.737 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.687 3.449 7.898 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.750 3.151 8.550 1.00 0.00 N ATOM 0 H ASN A 4 5.024 4.992 6.273 1.00 0.00 H new ATOM 0 HA ASN A 4 7.176 4.515 4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.431 4.507 6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.091 5.599 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.443 2.558 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.744 3.338 8.414 1.00 0.00 H new ATOM 72 N ALA A 5 5.693 1.878 5.350 1.00 0.00 N ATOM 73 CA ALA A 5 5.723 0.391 5.236 1.00 0.00 C ATOM 74 C ALA A 5 6.577 -0.032 4.037 1.00 0.00 C ATOM 75 O ALA A 5 6.122 -0.040 2.909 1.00 0.00 O ATOM 76 CB ALA A 5 4.263 -0.015 5.026 1.00 0.00 C ATOM 0 H ALA A 5 4.784 2.277 5.586 1.00 0.00 H new ATOM 0 HA ALA A 5 6.158 -0.084 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.197 -1.099 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.668 0.312 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.883 0.452 4.117 1.00 0.00 H new ATOM 82 N LYS A 6 7.812 -0.384 4.272 1.00 0.00 N ATOM 83 CA LYS A 6 8.697 -0.803 3.146 1.00 0.00 C ATOM 84 C LYS A 6 7.989 -1.840 2.270 1.00 0.00 C ATOM 85 O LYS A 6 7.991 -3.018 2.565 1.00 0.00 O ATOM 86 CB LYS A 6 9.928 -1.417 3.816 1.00 0.00 C ATOM 87 CG LYS A 6 10.737 -0.317 4.506 1.00 0.00 C ATOM 88 CD LYS A 6 11.780 0.239 3.534 1.00 0.00 C ATOM 89 CE LYS A 6 12.823 1.048 4.309 1.00 0.00 C ATOM 90 NZ LYS A 6 12.701 2.436 3.782 1.00 0.00 N ATOM 0 H LYS A 6 8.247 -0.400 5.195 1.00 0.00 H new ATOM 0 HA LYS A 6 8.960 0.032 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.622 -2.169 4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.544 -1.924 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.074 0.481 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.228 -0.715 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.263 -0.577 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.297 0.870 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.632 1.014 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.826 0.652 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.385 3.052 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.895 2.438 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.737 2.788 3.952 1.00 0.00 H new ATOM 104 N CYS A 7 7.388 -1.412 1.194 1.00 0.00 N ATOM 105 CA CYS A 7 6.685 -2.376 0.301 1.00 0.00 C ATOM 106 C CYS A 7 7.704 -3.158 -0.533 1.00 0.00 C ATOM 107 O CYS A 7 8.764 -2.662 -0.860 1.00 0.00 O ATOM 108 CB CYS A 7 5.796 -1.512 -0.598 1.00 0.00 C ATOM 109 SG CYS A 7 6.819 -0.625 -1.800 1.00 0.00 S ATOM 0 H CYS A 7 7.353 -0.438 0.895 1.00 0.00 H new ATOM 0 HA CYS A 7 6.102 -3.109 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.070 -2.138 -1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.231 -0.802 0.007 1.00 0.00 H new ATOM 114 N ARG A 8 7.394 -4.378 -0.878 1.00 0.00 N ATOM 115 CA ARG A 8 8.347 -5.188 -1.689 1.00 0.00 C ATOM 116 C ARG A 8 7.680 -5.647 -2.988 1.00 0.00 C ATOM 117 O ARG A 8 8.328 -6.155 -3.883 1.00 0.00 O ATOM 118 CB ARG A 8 8.694 -6.389 -0.808 1.00 0.00 C ATOM 119 CG ARG A 8 9.687 -5.960 0.275 1.00 0.00 C ATOM 120 CD ARG A 8 10.206 -7.197 1.014 1.00 0.00 C ATOM 121 NE ARG A 8 9.585 -7.128 2.365 1.00 0.00 N ATOM 122 CZ ARG A 8 8.765 -8.065 2.755 1.00 0.00 C ATOM 123 NH1 ARG A 8 8.026 -8.692 1.880 1.00 0.00 N ATOM 124 NH2 ARG A 8 8.684 -8.378 4.021 1.00 0.00 N ATOM 0 H ARG A 8 6.523 -4.849 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 8 9.234 -4.621 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.790 -6.790 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.124 -7.186 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.518 -5.417 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.204 -5.280 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.923 -8.114 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.294 -7.190 1.079 1.00 0.00 H new ATOM 0 HE ARG A 8 9.801 -6.348 2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.090 -8.449 0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.385 -9.424 2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.262 -7.890 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.043 -9.111 4.325 1.00 0.00 H new ATOM 138 N GLY A 9 6.391 -5.474 -3.101 1.00 0.00 N ATOM 139 CA GLY A 9 5.688 -5.904 -4.343 1.00 0.00 C ATOM 140 C GLY A 9 4.305 -5.253 -4.406 1.00 0.00 C ATOM 141 O GLY A 9 3.644 -5.078 -3.401 1.00 0.00 O ATOM 0 H GLY A 9 5.795 -5.054 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.273 -5.623 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.590 -6.989 -4.360 1.00 0.00 H new ATOM 145 N SER A 10 3.863 -4.894 -5.580 1.00 0.00 N ATOM 146 CA SER A 10 2.522 -4.255 -5.715 1.00 0.00 C ATOM 147 C SER A 10 1.449 -5.071 -4.977 1.00 0.00 C ATOM 148 O SER A 10 0.689 -4.523 -4.205 1.00 0.00 O ATOM 149 CB SER A 10 2.240 -4.232 -7.216 1.00 0.00 C ATOM 150 OG SER A 10 1.896 -2.910 -7.610 1.00 0.00 O ATOM 0 H SER A 10 4.374 -5.016 -6.454 1.00 0.00 H new ATOM 0 HA SER A 10 2.505 -3.256 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.117 -4.571 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.428 -4.918 -7.455 1.00 0.00 H new ATOM 0 HG SER A 10 1.716 -2.892 -8.573 1.00 0.00 H new ATOM 156 N PRO A 11 1.411 -6.358 -5.237 1.00 0.00 N ATOM 157 CA PRO A 11 0.408 -7.232 -4.582 1.00 0.00 C ATOM 158 C PRO A 11 0.619 -7.259 -3.064 1.00 0.00 C ATOM 159 O PRO A 11 -0.194 -7.776 -2.324 1.00 0.00 O ATOM 160 CB PRO A 11 0.693 -8.602 -5.206 1.00 0.00 C ATOM 161 CG PRO A 11 1.857 -8.458 -6.207 1.00 0.00 C ATOM 162 CD PRO A 11 2.350 -7.006 -6.185 1.00 0.00 C ATOM 0 HA PRO A 11 -0.620 -6.901 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.949 -9.324 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.196 -8.979 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.668 -9.136 -5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.528 -8.730 -7.210 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.383 -6.934 -5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.307 -6.549 -7.174 1.00 0.00 H new ATOM 170 N GLU A 12 1.703 -6.705 -2.593 1.00 0.00 N ATOM 171 CA GLU A 12 1.960 -6.701 -1.123 1.00 0.00 C ATOM 172 C GLU A 12 1.313 -5.474 -0.473 1.00 0.00 C ATOM 173 O GLU A 12 0.825 -5.533 0.640 1.00 0.00 O ATOM 174 CB GLU A 12 3.481 -6.638 -0.989 1.00 0.00 C ATOM 175 CG GLU A 12 3.959 -7.755 -0.058 1.00 0.00 C ATOM 176 CD GLU A 12 4.976 -8.630 -0.792 1.00 0.00 C ATOM 177 OE1 GLU A 12 6.106 -8.193 -0.940 1.00 0.00 O ATOM 178 OE2 GLU A 12 4.610 -9.723 -1.194 1.00 0.00 O ATOM 0 H GLU A 12 2.421 -6.255 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 12 1.541 -7.578 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.947 -6.742 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.782 -5.668 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.410 -7.328 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.112 -8.359 0.268 1.00 0.00 H new ATOM 185 N CYS A 13 1.304 -4.362 -1.156 1.00 0.00 N ATOM 186 CA CYS A 13 0.689 -3.136 -0.570 1.00 0.00 C ATOM 187 C CYS A 13 -0.837 -3.255 -0.565 1.00 0.00 C ATOM 188 O CYS A 13 -1.493 -2.858 0.378 1.00 0.00 O ATOM 189 CB CYS A 13 1.135 -1.988 -1.476 1.00 0.00 C ATOM 190 SG CYS A 13 0.904 -0.413 -0.613 1.00 0.00 S ATOM 0 H CYS A 13 1.694 -4.249 -2.092 1.00 0.00 H new ATOM 0 HA CYS A 13 0.997 -2.979 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.182 -2.114 -1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.559 -1.996 -2.401 1.00 0.00 H new ATOM 195 N LEU A 14 -1.412 -3.796 -1.606 1.00 0.00 N ATOM 196 CA LEU A 14 -2.895 -3.931 -1.639 1.00 0.00 C ATOM 197 C LEU A 14 -3.401 -4.454 -0.287 1.00 0.00 C ATOM 198 O LEU A 14 -4.229 -3.824 0.340 1.00 0.00 O ATOM 199 CB LEU A 14 -3.186 -4.923 -2.764 1.00 0.00 C ATOM 200 CG LEU A 14 -3.926 -4.210 -3.899 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.073 -4.251 -5.169 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.259 -4.916 -4.162 1.00 0.00 C ATOM 0 H LEU A 14 -0.922 -4.148 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.398 -2.980 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.255 -5.350 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.788 -5.750 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.111 -3.174 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.599 -3.744 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.122 -3.751 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.889 -5.288 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.786 -4.409 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.072 -5.952 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.869 -4.891 -3.259 1.00 0.00 H new ATOM 214 N PRO A 15 -2.880 -5.584 0.136 1.00 0.00 N ATOM 215 CA PRO A 15 -3.289 -6.163 1.438 1.00 0.00 C ATOM 216 C PRO A 15 -2.915 -5.212 2.578 1.00 0.00 C ATOM 217 O PRO A 15 -3.712 -4.921 3.449 1.00 0.00 O ATOM 218 CB PRO A 15 -2.462 -7.450 1.512 1.00 0.00 C ATOM 219 CG PRO A 15 -1.598 -7.557 0.243 1.00 0.00 C ATOM 220 CD PRO A 15 -1.873 -6.340 -0.649 1.00 0.00 C ATOM 0 HA PRO A 15 -4.362 -6.336 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.830 -7.442 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.118 -8.316 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.542 -7.599 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.828 -8.477 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.971 -5.753 -0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.257 -6.632 -1.626 1.00 0.00 H new ATOM 228 N LYS A 16 -1.703 -4.722 2.576 1.00 0.00 N ATOM 229 CA LYS A 16 -1.271 -3.788 3.654 1.00 0.00 C ATOM 230 C LYS A 16 -2.250 -2.618 3.751 1.00 0.00 C ATOM 231 O LYS A 16 -2.651 -2.216 4.826 1.00 0.00 O ATOM 232 CB LYS A 16 0.110 -3.294 3.221 1.00 0.00 C ATOM 233 CG LYS A 16 1.146 -4.395 3.460 1.00 0.00 C ATOM 234 CD LYS A 16 2.484 -3.976 2.848 1.00 0.00 C ATOM 235 CE LYS A 16 3.590 -4.910 3.346 1.00 0.00 C ATOM 236 NZ LYS A 16 4.577 -4.015 4.010 1.00 0.00 N ATOM 0 H LYS A 16 -0.994 -4.929 1.873 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.243 -4.267 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.095 -3.018 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.380 -2.399 3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.263 -4.574 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.807 -5.331 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.425 -4.013 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.714 -2.946 3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.198 -5.651 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.046 -5.458 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.367 -4.582 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.938 -3.325 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.116 -3.512 4.795 1.00 0.00 H new ATOM 250 N CYS A 17 -2.641 -2.071 2.633 1.00 0.00 N ATOM 251 CA CYS A 17 -3.596 -0.928 2.658 1.00 0.00 C ATOM 252 C CYS A 17 -4.926 -1.375 3.270 1.00 0.00 C ATOM 253 O CYS A 17 -5.548 -0.654 4.023 1.00 0.00 O ATOM 254 CB CYS A 17 -3.785 -0.536 1.193 1.00 0.00 C ATOM 255 SG CYS A 17 -2.173 -0.175 0.451 1.00 0.00 S ATOM 0 H CYS A 17 -2.341 -2.366 1.704 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.231 -0.093 3.256 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.274 -1.344 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.434 0.336 1.120 1.00 0.00 H new ATOM 260 N LYS A 18 -5.360 -2.564 2.956 1.00 0.00 N ATOM 261 CA LYS A 18 -6.646 -3.062 3.522 1.00 0.00 C ATOM 262 C LYS A 18 -6.549 -3.144 5.047 1.00 0.00 C ATOM 263 O LYS A 18 -7.536 -3.048 5.749 1.00 0.00 O ATOM 264 CB LYS A 18 -6.829 -4.454 2.917 1.00 0.00 C ATOM 265 CG LYS A 18 -8.180 -5.026 3.347 1.00 0.00 C ATOM 266 CD LYS A 18 -8.740 -5.903 2.226 1.00 0.00 C ATOM 267 CE LYS A 18 -9.436 -7.124 2.832 1.00 0.00 C ATOM 268 NZ LYS A 18 -9.115 -8.248 1.909 1.00 0.00 N ATOM 0 H LYS A 18 -4.880 -3.213 2.332 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.486 -2.406 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.775 -4.399 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.024 -5.112 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.066 -5.612 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.875 -4.217 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.445 -5.332 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.936 -6.222 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.073 -7.325 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.512 -6.969 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.558 -9.122 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.478 -8.031 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.084 -8.377 1.864 1.00 0.00 H new ATOM 282 N GLU A 19 -5.365 -3.323 5.564 1.00 0.00 N ATOM 283 CA GLU A 19 -5.203 -3.413 7.045 1.00 0.00 C ATOM 284 C GLU A 19 -5.063 -2.014 7.655 1.00 0.00 C ATOM 285 O GLU A 19 -5.485 -1.767 8.767 1.00 0.00 O ATOM 286 CB GLU A 19 -3.922 -4.217 7.254 1.00 0.00 C ATOM 287 CG GLU A 19 -4.237 -5.478 8.059 1.00 0.00 C ATOM 288 CD GLU A 19 -3.278 -5.581 9.246 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.089 -5.398 9.038 1.00 0.00 O ATOM 290 OE2 GLU A 19 -3.747 -5.839 10.342 1.00 0.00 O ATOM 0 H GLU A 19 -4.502 -3.411 5.027 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.063 -3.880 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.488 -4.486 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.182 -3.613 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.268 -5.448 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.143 -6.360 7.425 1.00 0.00 H new ATOM 297 N ALA A 20 -4.471 -1.097 6.939 1.00 0.00 N ATOM 298 CA ALA A 20 -4.303 0.282 7.485 1.00 0.00 C ATOM 299 C ALA A 20 -5.452 1.182 7.020 1.00 0.00 C ATOM 300 O ALA A 20 -5.699 2.229 7.585 1.00 0.00 O ATOM 301 CB ALA A 20 -2.974 0.775 6.913 1.00 0.00 C ATOM 0 H ALA A 20 -4.097 -1.242 6.001 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.310 0.296 8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.777 1.786 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.171 0.114 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.025 0.777 5.824 1.00 0.00 H new ATOM 307 N ILE A 21 -6.152 0.783 5.995 1.00 0.00 N ATOM 308 CA ILE A 21 -7.283 1.618 5.493 1.00 0.00 C ATOM 309 C ILE A 21 -8.548 0.764 5.359 1.00 0.00 C ATOM 310 O ILE A 21 -9.621 1.161 5.767 1.00 0.00 O ATOM 311 CB ILE A 21 -6.816 2.122 4.127 1.00 0.00 C ATOM 312 CG1 ILE A 21 -5.468 2.826 4.285 1.00 0.00 C ATOM 313 CG2 ILE A 21 -7.837 3.110 3.563 1.00 0.00 C ATOM 314 CD1 ILE A 21 -4.774 2.906 2.926 1.00 0.00 C ATOM 0 H ILE A 21 -5.991 -0.084 5.482 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.531 2.439 6.165 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.716 1.278 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.614 3.827 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.843 2.283 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.499 3.466 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.801 2.614 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.939 3.956 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.813 3.408 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.615 1.900 2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.398 3.468 2.231 1.00 0.00 H new ATOM 326 N GLY A 22 -8.427 -0.409 4.799 1.00 0.00 N ATOM 327 CA GLY A 22 -9.621 -1.290 4.649 1.00 0.00 C ATOM 328 C GLY A 22 -10.207 -1.144 3.243 1.00 0.00 C ATOM 329 O GLY A 22 -11.406 -1.198 3.053 1.00 0.00 O ATOM 0 H GLY A 22 -7.554 -0.795 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.342 -2.328 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.372 -1.028 5.394 1.00 0.00 H new ATOM 333 N LYS A 23 -9.375 -0.965 2.254 1.00 0.00 N ATOM 334 CA LYS A 23 -9.896 -0.822 0.863 1.00 0.00 C ATOM 335 C LYS A 23 -9.071 -1.676 -0.105 1.00 0.00 C ATOM 336 O LYS A 23 -9.313 -1.687 -1.295 1.00 0.00 O ATOM 337 CB LYS A 23 -9.744 0.664 0.531 1.00 0.00 C ATOM 338 CG LYS A 23 -11.045 1.185 -0.085 1.00 0.00 C ATOM 339 CD LYS A 23 -10.756 1.781 -1.464 1.00 0.00 C ATOM 340 CE LYS A 23 -11.584 1.047 -2.523 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.811 1.873 -2.694 1.00 0.00 N ATOM 0 H LYS A 23 -8.361 -0.912 2.347 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.930 -1.155 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.506 1.227 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.916 0.810 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.768 0.374 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.489 1.940 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.998 2.844 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.694 1.695 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.035 0.957 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.831 0.036 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.429 1.433 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.317 1.936 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.546 2.828 -3.009 1.00 0.00 H new ATOM 355 N ALA A 24 -8.100 -2.392 0.401 1.00 0.00 N ATOM 356 CA ALA A 24 -7.254 -3.249 -0.483 1.00 0.00 C ATOM 357 C ALA A 24 -6.966 -2.533 -1.805 1.00 0.00 C ATOM 358 O ALA A 24 -7.086 -3.105 -2.871 1.00 0.00 O ATOM 359 CB ALA A 24 -8.085 -4.510 -0.724 1.00 0.00 C ATOM 0 H ALA A 24 -7.856 -2.420 1.391 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.288 -3.476 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.531 -5.193 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.292 -4.997 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.025 -4.240 -1.206 1.00 0.00 H new ATOM 365 N ALA A 25 -6.591 -1.286 -1.744 1.00 0.00 N ATOM 366 CA ALA A 25 -6.298 -0.533 -2.997 1.00 0.00 C ATOM 367 C ALA A 25 -4.974 0.223 -2.863 1.00 0.00 C ATOM 368 O ALA A 25 -4.883 1.216 -2.169 1.00 0.00 O ATOM 369 CB ALA A 25 -7.462 0.447 -3.149 1.00 0.00 C ATOM 0 H ALA A 25 -6.474 -0.755 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.201 -1.190 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.321 1.042 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.397 -0.108 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.498 1.107 -2.282 1.00 0.00 H new ATOM 375 N GLY A 26 -3.946 -0.237 -3.522 1.00 0.00 N ATOM 376 CA GLY A 26 -2.633 0.461 -3.428 1.00 0.00 C ATOM 377 C GLY A 26 -1.559 -0.353 -4.151 1.00 0.00 C ATOM 378 O GLY A 26 -1.823 -1.415 -4.680 1.00 0.00 O ATOM 0 H GLY A 26 -3.958 -1.063 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.707 1.455 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.357 0.596 -2.382 1.00 0.00 H new ATOM 382 N LYS A 27 -0.349 0.137 -4.177 1.00 0.00 N ATOM 383 CA LYS A 27 0.745 -0.607 -4.865 1.00 0.00 C ATOM 384 C LYS A 27 2.073 -0.378 -4.137 1.00 0.00 C ATOM 385 O LYS A 27 2.104 0.098 -3.021 1.00 0.00 O ATOM 386 CB LYS A 27 0.803 -0.019 -6.276 1.00 0.00 C ATOM 387 CG LYS A 27 -0.455 -0.417 -7.051 1.00 0.00 C ATOM 388 CD LYS A 27 -1.438 0.756 -7.072 1.00 0.00 C ATOM 389 CE LYS A 27 -1.460 1.376 -8.472 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.932 2.756 -8.289 1.00 0.00 N ATOM 0 H LYS A 27 -0.071 1.021 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 27 0.567 -1.682 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.883 1.067 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.691 -0.380 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.192 -0.702 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.921 -1.286 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.436 0.413 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.145 1.504 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.843 0.806 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.470 1.391 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.916 3.246 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.544 3.277 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.033 2.710 -7.904 1.00 0.00 H new ATOM 404 N CYS A 28 3.169 -0.710 -4.762 1.00 0.00 N ATOM 405 CA CYS A 28 4.490 -0.507 -4.101 1.00 0.00 C ATOM 406 C CYS A 28 5.416 0.304 -5.011 1.00 0.00 C ATOM 407 O CYS A 28 5.688 -0.075 -6.134 1.00 0.00 O ATOM 408 CB CYS A 28 5.046 -1.915 -3.886 1.00 0.00 C ATOM 409 SG CYS A 28 6.797 -1.811 -3.436 1.00 0.00 S ATOM 0 H CYS A 28 3.208 -1.112 -5.699 1.00 0.00 H new ATOM 0 HA CYS A 28 4.404 0.044 -3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.487 -2.422 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.927 -2.507 -4.794 1.00 0.00 H new ATOM 414 N MET A 29 5.901 1.417 -4.537 1.00 0.00 N ATOM 415 CA MET A 29 6.810 2.252 -5.373 1.00 0.00 C ATOM 416 C MET A 29 7.794 3.015 -4.482 1.00 0.00 C ATOM 417 O MET A 29 7.419 3.588 -3.477 1.00 0.00 O ATOM 418 CB MET A 29 5.886 3.223 -6.109 1.00 0.00 C ATOM 419 CG MET A 29 6.427 3.476 -7.518 1.00 0.00 C ATOM 420 SD MET A 29 5.907 2.130 -8.611 1.00 0.00 S ATOM 421 CE MET A 29 7.449 1.991 -9.548 1.00 0.00 C ATOM 0 H MET A 29 5.708 1.786 -3.606 1.00 0.00 H new ATOM 0 HA MET A 29 7.406 1.654 -6.063 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.878 2.811 -6.164 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.817 4.162 -5.560 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.058 4.429 -7.896 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.515 3.542 -7.496 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.351 1.203 -10.295 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.659 2.938 -10.045 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.267 1.748 -8.869 1.00 0.00 H new ATOM 431 N ASN A 30 9.048 3.030 -4.843 1.00 0.00 N ATOM 432 CA ASN A 30 10.051 3.760 -4.015 1.00 0.00 C ATOM 433 C ASN A 30 10.131 3.145 -2.614 1.00 0.00 C ATOM 434 O ASN A 30 10.402 3.824 -1.642 1.00 0.00 O ATOM 435 CB ASN A 30 9.535 5.197 -3.941 1.00 0.00 C ATOM 436 CG ASN A 30 10.387 6.094 -4.842 1.00 0.00 C ATOM 437 OD1 ASN A 30 10.008 6.392 -5.957 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.532 6.541 -4.401 1.00 0.00 N ATOM 0 H ASN A 30 9.421 2.570 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 30 11.053 3.709 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.491 5.236 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.573 5.556 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.108 7.140 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.851 6.291 -3.465 1.00 0.00 H new ATOM 445 N GLY A 31 9.897 1.867 -2.502 1.00 0.00 N ATOM 446 CA GLY A 31 9.959 1.210 -1.165 1.00 0.00 C ATOM 447 C GLY A 31 8.888 1.805 -0.248 1.00 0.00 C ATOM 448 O GLY A 31 9.079 1.927 0.945 1.00 0.00 O ATOM 0 H GLY A 31 9.665 1.248 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.806 0.136 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.947 1.350 -0.726 1.00 0.00 H new ATOM 452 N LYS A 32 7.763 2.176 -0.795 1.00 0.00 N ATOM 453 CA LYS A 32 6.680 2.762 0.047 1.00 0.00 C ATOM 454 C LYS A 32 5.325 2.169 -0.346 1.00 0.00 C ATOM 455 O LYS A 32 5.110 1.785 -1.478 1.00 0.00 O ATOM 456 CB LYS A 32 6.712 4.261 -0.250 1.00 0.00 C ATOM 457 CG LYS A 32 8.156 4.760 -0.195 1.00 0.00 C ATOM 458 CD LYS A 32 8.190 6.157 0.427 1.00 0.00 C ATOM 459 CE LYS A 32 9.465 6.880 -0.010 1.00 0.00 C ATOM 460 NZ LYS A 32 9.214 8.317 0.292 1.00 0.00 N ATOM 0 H LYS A 32 7.546 2.099 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 32 6.825 2.553 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.285 4.457 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.102 4.800 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.767 4.074 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.581 4.787 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.313 6.726 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.155 6.084 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.335 6.509 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.661 6.728 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.045 8.879 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.384 8.644 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.037 8.432 1.310 1.00 0.00 H new ATOM 474 N CYS A 33 4.408 2.090 0.579 1.00 0.00 N ATOM 475 CA CYS A 33 3.068 1.522 0.253 1.00 0.00 C ATOM 476 C CYS A 33 2.119 2.644 -0.181 1.00 0.00 C ATOM 477 O CYS A 33 1.832 3.551 0.575 1.00 0.00 O ATOM 478 CB CYS A 33 2.583 0.881 1.553 1.00 0.00 C ATOM 479 SG CYS A 33 1.775 -0.698 1.188 1.00 0.00 S ATOM 0 H CYS A 33 4.528 2.394 1.545 1.00 0.00 H new ATOM 0 HA CYS A 33 3.108 0.801 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.424 0.723 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.887 1.548 2.062 1.00 0.00 H new ATOM 484 N LYS A 34 1.635 2.594 -1.391 1.00 0.00 N ATOM 485 CA LYS A 34 0.713 3.665 -1.865 1.00 0.00 C ATOM 486 C LYS A 34 -0.739 3.183 -1.812 1.00 0.00 C ATOM 487 O LYS A 34 -1.178 2.420 -2.648 1.00 0.00 O ATOM 488 CB LYS A 34 1.135 3.939 -3.308 1.00 0.00 C ATOM 489 CG LYS A 34 2.637 4.223 -3.355 1.00 0.00 C ATOM 490 CD LYS A 34 2.911 5.371 -4.327 1.00 0.00 C ATOM 491 CE LYS A 34 2.758 4.869 -5.765 1.00 0.00 C ATOM 492 NZ LYS A 34 1.811 5.823 -6.406 1.00 0.00 N ATOM 0 H LYS A 34 1.837 1.861 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 34 0.769 4.560 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.896 3.081 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.581 4.789 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.000 4.481 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.177 3.330 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.218 6.192 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.917 5.761 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.717 4.856 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.369 3.851 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.655 5.545 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.905 5.808 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.211 6.783 -6.375 1.00 0.00 H new ATOM 506 N CYS A 35 -1.487 3.622 -0.838 1.00 0.00 N ATOM 507 CA CYS A 35 -2.912 3.189 -0.738 1.00 0.00 C ATOM 508 C CYS A 35 -3.841 4.374 -1.016 1.00 0.00 C ATOM 509 O CYS A 35 -3.420 5.513 -1.036 1.00 0.00 O ATOM 510 CB CYS A 35 -3.091 2.698 0.701 1.00 0.00 C ATOM 511 SG CYS A 35 -1.691 1.649 1.171 1.00 0.00 S ATOM 0 H CYS A 35 -1.175 4.261 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.154 2.411 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.163 3.549 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.022 2.139 0.791 1.00 0.00 H new ATOM 516 N TYR A 36 -5.102 4.114 -1.229 1.00 0.00 N ATOM 517 CA TYR A 36 -6.055 5.227 -1.505 1.00 0.00 C ATOM 518 C TYR A 36 -7.070 5.351 -0.362 1.00 0.00 C ATOM 519 O TYR A 36 -7.300 4.405 0.364 1.00 0.00 O ATOM 520 CB TYR A 36 -6.757 4.832 -2.804 1.00 0.00 C ATOM 521 CG TYR A 36 -6.060 5.487 -3.972 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.822 5.002 -4.409 1.00 0.00 C ATOM 523 CD2 TYR A 36 -6.652 6.580 -4.617 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.176 5.609 -5.493 1.00 0.00 C ATOM 525 CE2 TYR A 36 -6.005 7.188 -5.699 1.00 0.00 C ATOM 526 CZ TYR A 36 -4.768 6.702 -6.137 1.00 0.00 C ATOM 527 OH TYR A 36 -4.129 7.300 -7.204 1.00 0.00 O ATOM 0 H TYR A 36 -5.513 3.181 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.552 6.191 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.746 3.748 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.803 5.138 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.365 4.160 -3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.607 6.954 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.222 5.234 -5.832 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.460 8.032 -6.196 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.674 8.043 -7.537 1.00 0.00 H new ATOM 537 N PRO A 37 -7.648 6.521 -0.237 1.00 0.00 N ATOM 538 CA PRO A 37 -8.647 6.768 0.829 1.00 0.00 C ATOM 539 C PRO A 37 -9.847 5.829 0.668 1.00 0.00 C ATOM 540 O PRO A 37 -10.737 5.891 1.500 1.00 0.00 O ATOM 541 CB PRO A 37 -9.051 8.226 0.584 1.00 0.00 C ATOM 542 CG PRO A 37 -8.257 8.762 -0.623 1.00 0.00 C ATOM 543 CD PRO A 37 -7.338 7.650 -1.147 1.00 0.00 C ATOM 544 OXT PRO A 37 -9.854 5.066 -0.283 1.00 0.00 O ATOM 0 HA PRO A 37 -8.266 6.592 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.122 8.294 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.846 8.829 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.939 9.088 -1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.668 9.631 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.552 7.403 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.287 7.935 -1.097 1.00 0.00 H new TER 552 PRO A 37