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 Set 1.1: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.462) USER MOD Single : A 1 VAL N :NH3+ -137:sc= -0.0458 (180deg=-0.564) USER MOD Single : A 4 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 72:sc= 1.15 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+ 147:sc= -0.193 (180deg=-1.34!) USER MOD Single : A 27 LYS NZ :NH3+ 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 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.680 9.369 1.343 1.00 0.00 N ATOM 2 CA VAL A 1 -3.369 8.600 2.582 1.00 0.00 C ATOM 3 C VAL A 1 -2.338 7.509 2.281 1.00 0.00 C ATOM 4 O VAL A 1 -2.665 6.344 2.180 1.00 0.00 O ATOM 5 CB VAL A 1 -4.700 7.980 3.005 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.454 6.925 4.084 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.611 9.076 3.562 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.718 10.384 1.565 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.940 9.197 0.633 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.600 9.063 0.966 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.945 9.229 3.365 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.174 7.510 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.404 6.484 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.801 6.146 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.981 7.392 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.562 8.639 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.134 9.542 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.786 9.829 2.794 1.00 0.00 H new ATOM 19 N PHE A 2 -1.097 7.881 2.138 1.00 0.00 N ATOM 20 CA PHE A 2 -0.043 6.870 1.844 1.00 0.00 C ATOM 21 C PHE A 2 0.669 6.456 3.133 1.00 0.00 C ATOM 22 O PHE A 2 0.572 7.117 4.148 1.00 0.00 O ATOM 23 CB PHE A 2 0.936 7.579 0.905 1.00 0.00 C ATOM 24 CG PHE A 2 0.352 7.686 -0.490 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.917 7.161 -0.777 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.088 8.318 -1.498 1.00 0.00 C ATOM 27 CE1 PHE A 2 -1.443 7.268 -2.071 1.00 0.00 C ATOM 28 CE2 PHE A 2 0.563 8.425 -2.790 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.703 7.900 -3.077 1.00 0.00 C ATOM 0 H PHE A 2 -0.766 8.843 2.212 1.00 0.00 H new ATOM 0 HA PHE A 2 -0.456 5.964 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.161 8.574 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.877 7.031 0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.488 6.674 -0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.064 8.724 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.419 6.863 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.134 8.913 -3.566 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.108 7.983 -4.075 1.00 0.00 H new ATOM 39 N ILE A 3 1.388 5.370 3.097 1.00 0.00 N ATOM 40 CA ILE A 3 2.114 4.917 4.316 1.00 0.00 C ATOM 41 C ILE A 3 3.573 4.615 3.970 1.00 0.00 C ATOM 42 O ILE A 3 3.881 4.145 2.891 1.00 0.00 O ATOM 43 CB ILE A 3 1.387 3.650 4.767 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.697 2.510 3.797 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.122 3.906 4.782 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.083 1.212 4.322 1.00 0.00 C ATOM 0 H ILE A 3 1.505 4.776 2.276 1.00 0.00 H new ATOM 0 HA ILE A 3 2.124 5.673 5.101 1.00 0.00 H new ATOM 0 HB ILE A 3 1.722 3.378 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.298 2.740 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.775 2.396 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.641 3.003 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.346 4.719 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.455 4.179 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.304 0.399 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.504 0.980 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.003 1.330 4.410 1.00 0.00 H new ATOM 58 N ASN A 4 4.474 4.892 4.872 1.00 0.00 N ATOM 59 CA ASN A 4 5.916 4.634 4.590 1.00 0.00 C ATOM 60 C ASN A 4 6.262 3.149 4.774 1.00 0.00 C ATOM 61 O ASN A 4 7.417 2.785 4.871 1.00 0.00 O ATOM 62 CB ASN A 4 6.676 5.512 5.593 1.00 0.00 C ATOM 63 CG ASN A 4 6.815 4.792 6.940 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.864 4.826 7.551 1.00 0.00 O ATOM 65 ND2 ASN A 4 5.796 4.142 7.433 1.00 0.00 N ATOM 0 H ASN A 4 4.275 5.286 5.792 1.00 0.00 H new ATOM 0 HA ASN A 4 6.179 4.871 3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.663 5.753 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.149 6.456 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.882 3.664 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.914 4.112 6.921 1.00 0.00 H new ATOM 72 N ALA A 5 5.281 2.288 4.817 1.00 0.00 N ATOM 73 CA ALA A 5 5.580 0.838 4.986 1.00 0.00 C ATOM 74 C ALA A 5 6.699 0.424 4.027 1.00 0.00 C ATOM 75 O ALA A 5 7.102 1.183 3.169 1.00 0.00 O ATOM 76 CB ALA A 5 4.277 0.119 4.635 1.00 0.00 C ATOM 0 H ALA A 5 4.292 2.524 4.743 1.00 0.00 H new ATOM 0 HA ALA A 5 5.915 0.596 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.417 -0.957 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.487 0.447 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.997 0.354 3.608 1.00 0.00 H new ATOM 82 N LYS A 6 7.208 -0.768 4.167 1.00 0.00 N ATOM 83 CA LYS A 6 8.305 -1.215 3.262 1.00 0.00 C ATOM 84 C LYS A 6 7.851 -2.402 2.414 1.00 0.00 C ATOM 85 O LYS A 6 8.314 -3.513 2.584 1.00 0.00 O ATOM 86 CB LYS A 6 9.436 -1.632 4.190 1.00 0.00 C ATOM 87 CG LYS A 6 10.642 -2.075 3.361 1.00 0.00 C ATOM 88 CD LYS A 6 11.223 -0.870 2.620 1.00 0.00 C ATOM 89 CE LYS A 6 12.540 -0.452 3.278 1.00 0.00 C ATOM 90 NZ LYS A 6 13.395 0.029 2.157 1.00 0.00 N ATOM 0 H LYS A 6 6.914 -1.450 4.866 1.00 0.00 H new ATOM 0 HA LYS A 6 8.608 -0.429 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.713 -0.801 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.108 -2.446 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.399 -2.517 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.344 -2.844 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.391 -1.120 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.515 -0.041 2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.380 0.333 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.005 -1.290 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.317 0.334 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.535 -0.741 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.930 0.831 1.685 1.00 0.00 H new ATOM 104 N CYS A 7 6.956 -2.174 1.501 1.00 0.00 N ATOM 105 CA CYS A 7 6.478 -3.291 0.636 1.00 0.00 C ATOM 106 C CYS A 7 7.679 -4.055 0.068 1.00 0.00 C ATOM 107 O CYS A 7 8.815 -3.678 0.273 1.00 0.00 O ATOM 108 CB CYS A 7 5.675 -2.623 -0.484 1.00 0.00 C ATOM 109 SG CYS A 7 6.607 -1.220 -1.146 1.00 0.00 S ATOM 0 H CYS A 7 6.532 -1.265 1.313 1.00 0.00 H new ATOM 0 HA CYS A 7 5.870 -4.011 1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.469 -3.342 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.711 -2.285 -0.103 1.00 0.00 H new ATOM 114 N ARG A 8 7.441 -5.127 -0.638 1.00 0.00 N ATOM 115 CA ARG A 8 8.580 -5.908 -1.204 1.00 0.00 C ATOM 116 C ARG A 8 8.420 -6.083 -2.718 1.00 0.00 C ATOM 117 O ARG A 8 9.322 -6.532 -3.397 1.00 0.00 O ATOM 118 CB ARG A 8 8.519 -7.264 -0.499 1.00 0.00 C ATOM 119 CG ARG A 8 9.063 -7.127 0.924 1.00 0.00 C ATOM 120 CD ARG A 8 8.368 -8.141 1.837 1.00 0.00 C ATOM 121 NE ARG A 8 9.474 -8.845 2.546 1.00 0.00 N ATOM 122 CZ ARG A 8 10.213 -8.202 3.410 1.00 0.00 C ATOM 123 NH1 ARG A 8 9.757 -7.124 3.988 1.00 0.00 N ATOM 124 NH2 ARG A 8 11.408 -8.641 3.699 1.00 0.00 N ATOM 0 H ARG A 8 6.513 -5.495 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 8 9.535 -5.406 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.491 -7.626 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.102 -8.000 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.140 -7.294 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.895 -6.115 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.701 -7.645 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.761 -8.839 1.261 1.00 0.00 H new ATOM 0 HE ARG A 8 9.654 -9.831 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.822 -6.782 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.336 -6.623 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.764 -9.485 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.986 -8.140 4.374 1.00 0.00 H new ATOM 138 N GLY A 9 7.282 -5.736 -3.254 1.00 0.00 N ATOM 139 CA GLY A 9 7.080 -5.891 -4.723 1.00 0.00 C ATOM 140 C GLY A 9 5.907 -5.022 -5.176 1.00 0.00 C ATOM 141 O GLY A 9 6.087 -3.991 -5.792 1.00 0.00 O ATOM 0 H GLY A 9 6.487 -5.354 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.986 -5.603 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.886 -6.936 -4.965 1.00 0.00 H new ATOM 145 N SER A 10 4.703 -5.429 -4.880 1.00 0.00 N ATOM 146 CA SER A 10 3.521 -4.623 -5.297 1.00 0.00 C ATOM 147 C SER A 10 2.219 -5.347 -4.930 1.00 0.00 C ATOM 148 O SER A 10 1.415 -4.817 -4.190 1.00 0.00 O ATOM 149 CB SER A 10 3.655 -4.469 -6.810 1.00 0.00 C ATOM 150 OG SER A 10 4.091 -3.149 -7.111 1.00 0.00 O ATOM 0 H SER A 10 4.487 -6.284 -4.368 1.00 0.00 H new ATOM 0 HA SER A 10 3.487 -3.655 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.366 -5.197 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.699 -4.668 -7.294 1.00 0.00 H new ATOM 0 HG SER A 10 5.031 -3.048 -6.853 1.00 0.00 H new ATOM 156 N PRO A 11 2.045 -6.540 -5.446 1.00 0.00 N ATOM 157 CA PRO A 11 0.823 -7.319 -5.143 1.00 0.00 C ATOM 158 C PRO A 11 0.687 -7.527 -3.632 1.00 0.00 C ATOM 159 O PRO A 11 -0.361 -7.886 -3.135 1.00 0.00 O ATOM 160 CB PRO A 11 1.081 -8.647 -5.862 1.00 0.00 C ATOM 161 CG PRO A 11 2.455 -8.575 -6.555 1.00 0.00 C ATOM 162 CD PRO A 11 3.040 -7.172 -6.346 1.00 0.00 C ATOM 0 HA PRO A 11 -0.099 -6.833 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.060 -9.472 -5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.298 -8.838 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.126 -9.329 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.353 -8.787 -7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.031 -7.209 -5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.139 -6.629 -7.286 1.00 0.00 H new ATOM 170 N GLU A 12 1.745 -7.303 -2.898 1.00 0.00 N ATOM 171 CA GLU A 12 1.684 -7.487 -1.419 1.00 0.00 C ATOM 172 C GLU A 12 1.206 -6.198 -0.743 1.00 0.00 C ATOM 173 O GLU A 12 0.816 -6.199 0.409 1.00 0.00 O ATOM 174 CB GLU A 12 3.120 -7.807 -1.003 1.00 0.00 C ATOM 175 CG GLU A 12 3.231 -9.291 -0.645 1.00 0.00 C ATOM 176 CD GLU A 12 4.697 -9.722 -0.714 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.140 -10.076 -1.793 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.352 -9.689 0.316 1.00 0.00 O ATOM 0 H GLU A 12 2.649 -7.000 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 12 0.988 -8.274 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.807 -7.566 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.407 -7.194 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.836 -9.466 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.632 -9.888 -1.333 1.00 0.00 H new ATOM 185 N CYS A 13 1.231 -5.099 -1.448 1.00 0.00 N ATOM 186 CA CYS A 13 0.777 -3.814 -0.840 1.00 0.00 C ATOM 187 C CYS A 13 -0.745 -3.810 -0.673 1.00 0.00 C ATOM 188 O CYS A 13 -1.264 -3.348 0.323 1.00 0.00 O ATOM 189 CB CYS A 13 1.212 -2.730 -1.827 1.00 0.00 C ATOM 190 SG CYS A 13 2.306 -1.553 -0.989 1.00 0.00 S ATOM 0 H CYS A 13 1.545 -5.035 -2.416 1.00 0.00 H new ATOM 0 HA CYS A 13 1.203 -3.657 0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.727 -3.181 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.338 -2.212 -2.223 1.00 0.00 H new ATOM 195 N LEU A 14 -1.466 -4.318 -1.635 1.00 0.00 N ATOM 196 CA LEU A 14 -2.953 -4.335 -1.515 1.00 0.00 C ATOM 197 C LEU A 14 -3.377 -4.923 -0.162 1.00 0.00 C ATOM 198 O LEU A 14 -4.112 -4.293 0.572 1.00 0.00 O ATOM 199 CB LEU A 14 -3.449 -5.211 -2.668 1.00 0.00 C ATOM 200 CG LEU A 14 -4.443 -4.417 -3.517 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.819 -3.079 -3.918 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.788 -5.215 -4.775 1.00 0.00 C ATOM 0 H LEU A 14 -1.093 -4.720 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.375 -3.331 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.608 -5.535 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.925 -6.111 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.350 -4.236 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.528 -2.514 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.572 -2.510 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.912 -3.259 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.496 -4.650 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.881 -5.396 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.233 -6.168 -4.490 1.00 0.00 H new ATOM 214 N PRO A 15 -2.901 -6.111 0.137 1.00 0.00 N ATOM 215 CA PRO A 15 -3.249 -6.759 1.424 1.00 0.00 C ATOM 216 C PRO A 15 -2.774 -5.897 2.597 1.00 0.00 C ATOM 217 O PRO A 15 -3.546 -5.521 3.456 1.00 0.00 O ATOM 218 CB PRO A 15 -2.477 -8.080 1.360 1.00 0.00 C ATOM 219 CG PRO A 15 -1.711 -8.141 0.026 1.00 0.00 C ATOM 220 CD PRO A 15 -2.005 -6.864 -0.774 1.00 0.00 C ATOM 0 HA PRO A 15 -4.320 -6.899 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.783 -8.153 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.163 -8.923 1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.641 -8.233 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.013 -9.020 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.095 -6.308 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.487 -7.084 -1.726 1.00 0.00 H new ATOM 228 N LYS A 16 -1.508 -5.579 2.637 1.00 0.00 N ATOM 229 CA LYS A 16 -0.986 -4.739 3.754 1.00 0.00 C ATOM 230 C LYS A 16 -1.662 -3.364 3.738 1.00 0.00 C ATOM 231 O LYS A 16 -1.860 -2.747 4.765 1.00 0.00 O ATOM 232 CB LYS A 16 0.512 -4.602 3.481 1.00 0.00 C ATOM 233 CG LYS A 16 1.231 -5.880 3.920 1.00 0.00 C ATOM 234 CD LYS A 16 2.733 -5.737 3.665 1.00 0.00 C ATOM 235 CE LYS A 16 3.504 -6.676 4.599 1.00 0.00 C ATOM 236 NZ LYS A 16 4.327 -5.775 5.454 1.00 0.00 N ATOM 0 H LYS A 16 -0.814 -5.864 1.946 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.183 -5.181 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.684 -4.422 2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.913 -3.743 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.048 -6.067 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.839 -6.737 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.960 -5.974 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.044 -4.706 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.825 -7.280 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.131 -7.367 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.885 -6.344 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.968 -5.218 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.703 -5.133 5.984 1.00 0.00 H new ATOM 250 N CYS A 17 -2.015 -2.882 2.578 1.00 0.00 N ATOM 251 CA CYS A 17 -2.676 -1.549 2.491 1.00 0.00 C ATOM 252 C CYS A 17 -4.109 -1.628 3.027 1.00 0.00 C ATOM 253 O CYS A 17 -4.540 -0.792 3.796 1.00 0.00 O ATOM 254 CB CYS A 17 -2.679 -1.210 1.000 1.00 0.00 C ATOM 255 SG CYS A 17 -3.616 0.314 0.727 1.00 0.00 S ATOM 0 H CYS A 17 -1.874 -3.355 1.685 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.160 -0.793 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.657 -1.090 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.122 -2.028 0.431 1.00 0.00 H new ATOM 260 N LYS A 18 -4.848 -2.626 2.628 1.00 0.00 N ATOM 261 CA LYS A 18 -6.251 -2.754 3.116 1.00 0.00 C ATOM 262 C LYS A 18 -6.273 -2.833 4.645 1.00 0.00 C ATOM 263 O LYS A 18 -7.066 -2.186 5.298 1.00 0.00 O ATOM 264 CB LYS A 18 -6.766 -4.059 2.505 1.00 0.00 C ATOM 265 CG LYS A 18 -8.289 -4.126 2.650 1.00 0.00 C ATOM 266 CD LYS A 18 -8.755 -5.576 2.494 1.00 0.00 C ATOM 267 CE LYS A 18 -10.207 -5.595 2.007 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.999 -6.054 3.182 1.00 0.00 N ATOM 0 H LYS A 18 -4.542 -3.358 1.986 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.866 -1.900 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.488 -4.115 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.305 -4.912 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.589 -3.739 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.764 -3.497 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.115 -6.101 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.672 -6.100 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.526 -4.606 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.331 -6.269 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.007 -6.093 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.677 -7.000 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.867 -5.389 3.971 1.00 0.00 H new ATOM 282 N GLU A 19 -5.406 -3.623 5.217 1.00 0.00 N ATOM 283 CA GLU A 19 -5.377 -3.747 6.702 1.00 0.00 C ATOM 284 C GLU A 19 -4.769 -2.489 7.332 1.00 0.00 C ATOM 285 O GLU A 19 -4.985 -2.197 8.491 1.00 0.00 O ATOM 286 CB GLU A 19 -4.495 -4.966 6.976 1.00 0.00 C ATOM 287 CG GLU A 19 -4.381 -5.190 8.484 1.00 0.00 C ATOM 288 CD GLU A 19 -3.236 -6.165 8.765 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.105 -5.822 8.465 1.00 0.00 O ATOM 290 OE2 GLU A 19 -3.511 -7.238 9.276 1.00 0.00 O ATOM 0 H GLU A 19 -4.717 -4.188 4.721 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.375 -3.859 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.920 -5.849 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.505 -4.815 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.200 -4.242 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.317 -5.588 8.876 1.00 0.00 H new ATOM 297 N ALA A 20 -4.009 -1.744 6.577 1.00 0.00 N ATOM 298 CA ALA A 20 -3.389 -0.507 7.134 1.00 0.00 C ATOM 299 C ALA A 20 -4.392 0.650 7.107 1.00 0.00 C ATOM 300 O ALA A 20 -4.615 1.315 8.100 1.00 0.00 O ATOM 301 CB ALA A 20 -2.204 -0.210 6.214 1.00 0.00 C ATOM 0 H ALA A 20 -3.790 -1.937 5.600 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.080 -0.633 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.693 0.689 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.510 -1.051 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.563 -0.057 5.196 1.00 0.00 H new ATOM 307 N ILE A 21 -4.996 0.898 5.978 1.00 0.00 N ATOM 308 CA ILE A 21 -5.980 2.016 5.889 1.00 0.00 C ATOM 309 C ILE A 21 -7.411 1.472 5.930 1.00 0.00 C ATOM 310 O ILE A 21 -8.337 2.168 6.299 1.00 0.00 O ATOM 311 CB ILE A 21 -5.699 2.682 4.542 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.719 3.798 4.305 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.812 1.642 3.426 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.599 4.304 2.866 1.00 0.00 C ATOM 0 H ILE A 21 -4.852 0.376 5.113 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.885 2.715 6.720 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.693 3.102 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.728 3.428 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.548 4.616 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.612 2.116 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.087 0.846 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.818 1.222 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.326 5.099 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.594 4.690 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.792 3.484 2.175 1.00 0.00 H new ATOM 326 N GLY A 22 -7.600 0.239 5.552 1.00 0.00 N ATOM 327 CA GLY A 22 -8.973 -0.342 5.568 1.00 0.00 C ATOM 328 C GLY A 22 -9.515 -0.415 4.139 1.00 0.00 C ATOM 329 O GLY A 22 -10.571 -0.964 3.894 1.00 0.00 O ATOM 0 H GLY A 22 -6.865 -0.392 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.953 -1.338 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.630 0.269 6.186 1.00 0.00 H new ATOM 333 N LYS A 23 -8.804 0.136 3.194 1.00 0.00 N ATOM 334 CA LYS A 23 -9.282 0.097 1.782 1.00 0.00 C ATOM 335 C LYS A 23 -8.295 -0.687 0.913 1.00 0.00 C ATOM 336 O LYS A 23 -7.163 -0.288 0.730 1.00 0.00 O ATOM 337 CB LYS A 23 -9.340 1.559 1.340 1.00 0.00 C ATOM 338 CG LYS A 23 -10.257 2.344 2.280 1.00 0.00 C ATOM 339 CD LYS A 23 -11.477 2.843 1.502 1.00 0.00 C ATOM 340 CE LYS A 23 -12.434 1.675 1.249 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.945 1.283 2.596 1.00 0.00 N ATOM 0 H LYS A 23 -7.913 0.611 3.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.250 -0.394 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.339 1.991 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.709 1.626 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.575 1.711 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.718 3.187 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.984 3.627 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.163 3.282 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.250 1.971 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.920 0.844 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.925 0.944 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.349 0.525 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.918 2.106 3.231 1.00 0.00 H new ATOM 355 N ALA A 24 -8.716 -1.799 0.376 1.00 0.00 N ATOM 356 CA ALA A 24 -7.803 -2.606 -0.481 1.00 0.00 C ATOM 357 C ALA A 24 -7.554 -1.889 -1.811 1.00 0.00 C ATOM 358 O ALA A 24 -7.977 -2.339 -2.858 1.00 0.00 O ATOM 359 CB ALA A 24 -8.545 -3.923 -0.711 1.00 0.00 C ATOM 0 H ALA A 24 -9.653 -2.184 0.494 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.828 -2.761 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.938 -4.578 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.732 -4.407 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.494 -3.724 -1.208 1.00 0.00 H new ATOM 365 N ALA A 25 -6.872 -0.776 -1.779 1.00 0.00 N ATOM 366 CA ALA A 25 -6.598 -0.030 -3.042 1.00 0.00 C ATOM 367 C ALA A 25 -5.269 0.723 -2.935 1.00 0.00 C ATOM 368 O ALA A 25 -5.180 1.753 -2.298 1.00 0.00 O ATOM 369 CB ALA A 25 -7.759 0.954 -3.182 1.00 0.00 C ATOM 0 H ALA A 25 -6.493 -0.351 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.519 -0.694 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.630 1.542 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.698 0.403 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.778 1.619 -2.319 1.00 0.00 H new ATOM 375 N GLY A 26 -4.237 0.220 -3.555 1.00 0.00 N ATOM 376 CA GLY A 26 -2.920 0.915 -3.487 1.00 0.00 C ATOM 377 C GLY A 26 -1.834 0.021 -4.088 1.00 0.00 C ATOM 378 O GLY A 26 -2.093 -1.089 -4.510 1.00 0.00 O ATOM 0 H GLY A 26 -4.248 -0.639 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.968 1.860 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.677 1.153 -2.452 1.00 0.00 H new ATOM 382 N LYS A 27 -0.620 0.497 -4.129 1.00 0.00 N ATOM 383 CA LYS A 27 0.485 -0.324 -4.702 1.00 0.00 C ATOM 384 C LYS A 27 1.801 -0.010 -3.985 1.00 0.00 C ATOM 385 O LYS A 27 1.835 0.753 -3.040 1.00 0.00 O ATOM 386 CB LYS A 27 0.564 0.088 -6.172 1.00 0.00 C ATOM 387 CG LYS A 27 -0.804 -0.101 -6.829 1.00 0.00 C ATOM 388 CD LYS A 27 -0.667 0.030 -8.346 1.00 0.00 C ATOM 389 CE LYS A 27 -1.675 1.059 -8.864 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.847 2.165 -9.418 1.00 0.00 N ATOM 0 H LYS A 27 -0.345 1.419 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 27 0.308 -1.393 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.877 1.129 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.313 -0.511 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.209 -1.080 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.506 0.643 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.347 0.336 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.840 -0.935 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.321 0.628 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.323 1.414 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.469 2.910 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.248 2.560 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.245 1.799 -10.183 1.00 0.00 H new ATOM 404 N CYS A 28 2.884 -0.593 -4.424 1.00 0.00 N ATOM 405 CA CYS A 28 4.193 -0.324 -3.760 1.00 0.00 C ATOM 406 C CYS A 28 5.077 0.545 -4.660 1.00 0.00 C ATOM 407 O CYS A 28 5.287 0.242 -5.818 1.00 0.00 O ATOM 408 CB CYS A 28 4.827 -1.701 -3.553 1.00 0.00 C ATOM 409 SG CYS A 28 6.583 -1.510 -3.145 1.00 0.00 S ATOM 0 H CYS A 28 2.920 -1.241 -5.211 1.00 0.00 H new ATOM 0 HA CYS A 28 4.073 0.214 -2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.313 -2.232 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.717 -2.302 -4.455 1.00 0.00 H new ATOM 414 N MET A 29 5.598 1.616 -4.132 1.00 0.00 N ATOM 415 CA MET A 29 6.475 2.502 -4.948 1.00 0.00 C ATOM 416 C MET A 29 7.569 3.106 -4.063 1.00 0.00 C ATOM 417 O MET A 29 7.296 3.692 -3.034 1.00 0.00 O ATOM 418 CB MET A 29 5.549 3.596 -5.481 1.00 0.00 C ATOM 419 CG MET A 29 4.838 3.098 -6.743 1.00 0.00 C ATOM 420 SD MET A 29 5.488 3.971 -8.189 1.00 0.00 S ATOM 421 CE MET A 29 4.048 3.740 -9.261 1.00 0.00 C ATOM 0 H MET A 29 5.454 1.917 -3.168 1.00 0.00 H new ATOM 0 HA MET A 29 6.974 1.966 -5.756 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.816 3.868 -4.722 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.123 4.495 -5.706 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.986 2.024 -6.857 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.764 3.264 -6.657 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.234 4.210 -10.227 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.868 2.675 -9.404 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.173 4.196 -8.798 1.00 0.00 H new ATOM 431 N ASN A 30 8.807 2.965 -4.453 1.00 0.00 N ATOM 432 CA ASN A 30 9.918 3.527 -3.631 1.00 0.00 C ATOM 433 C ASN A 30 9.953 2.854 -2.255 1.00 0.00 C ATOM 434 O ASN A 30 10.135 3.500 -1.242 1.00 0.00 O ATOM 435 CB ASN A 30 9.601 5.016 -3.492 1.00 0.00 C ATOM 436 CG ASN A 30 10.522 5.824 -4.408 1.00 0.00 C ATOM 437 OD1 ASN A 30 10.301 5.895 -5.601 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.553 6.438 -3.897 1.00 0.00 N ATOM 0 H ASN A 30 9.097 2.485 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 30 10.892 3.361 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.559 5.202 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.733 5.331 -2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.175 6.978 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.738 6.378 -2.896 1.00 0.00 H new ATOM 445 N GLY A 31 9.782 1.561 -2.211 1.00 0.00 N ATOM 446 CA GLY A 31 9.809 0.847 -0.902 1.00 0.00 C ATOM 447 C GLY A 31 8.668 1.347 -0.015 1.00 0.00 C ATOM 448 O GLY A 31 8.724 1.253 1.196 1.00 0.00 O ATOM 0 H GLY A 31 9.625 0.967 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.714 -0.227 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.766 1.012 -0.407 1.00 0.00 H new ATOM 452 N LYS A 32 7.632 1.876 -0.604 1.00 0.00 N ATOM 453 CA LYS A 32 6.488 2.379 0.209 1.00 0.00 C ATOM 454 C LYS A 32 5.165 1.896 -0.396 1.00 0.00 C ATOM 455 O LYS A 32 5.145 1.266 -1.433 1.00 0.00 O ATOM 456 CB LYS A 32 6.591 3.903 0.137 1.00 0.00 C ATOM 457 CG LYS A 32 7.908 4.358 0.775 1.00 0.00 C ATOM 458 CD LYS A 32 8.335 5.698 0.169 1.00 0.00 C ATOM 459 CE LYS A 32 9.660 6.141 0.793 1.00 0.00 C ATOM 460 NZ LYS A 32 9.276 7.063 1.901 1.00 0.00 N ATOM 0 H LYS A 32 7.527 1.982 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 32 6.518 2.020 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.545 4.232 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.747 4.360 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.786 4.457 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.682 3.609 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.443 5.603 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.567 6.451 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.225 5.287 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.292 6.645 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.133 7.409 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.746 7.869 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.681 6.554 2.585 1.00 0.00 H new ATOM 474 N CYS A 33 4.062 2.183 0.243 1.00 0.00 N ATOM 475 CA CYS A 33 2.748 1.730 -0.304 1.00 0.00 C ATOM 476 C CYS A 33 1.858 2.934 -0.624 1.00 0.00 C ATOM 477 O CYS A 33 1.661 3.809 0.196 1.00 0.00 O ATOM 478 CB CYS A 33 2.125 0.883 0.806 1.00 0.00 C ATOM 479 SG CYS A 33 1.051 -0.381 0.077 1.00 0.00 S ATOM 0 H CYS A 33 4.013 2.709 1.116 1.00 0.00 H new ATOM 0 HA CYS A 33 2.862 1.168 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.908 0.411 1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.551 1.517 1.482 1.00 0.00 H new ATOM 484 N LYS A 34 1.317 2.979 -1.812 1.00 0.00 N ATOM 485 CA LYS A 34 0.437 4.123 -2.189 1.00 0.00 C ATOM 486 C LYS A 34 -1.035 3.721 -2.060 1.00 0.00 C ATOM 487 O LYS A 34 -1.627 3.190 -2.979 1.00 0.00 O ATOM 488 CB LYS A 34 0.782 4.423 -3.647 1.00 0.00 C ATOM 489 CG LYS A 34 2.288 4.662 -3.777 1.00 0.00 C ATOM 490 CD LYS A 34 2.542 6.129 -4.129 1.00 0.00 C ATOM 491 CE LYS A 34 1.879 6.452 -5.470 1.00 0.00 C ATOM 492 NZ LYS A 34 2.887 6.071 -6.496 1.00 0.00 N ATOM 0 H LYS A 34 1.446 2.274 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 34 0.589 4.990 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.479 3.591 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.233 5.301 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.789 4.409 -2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.705 4.014 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.143 6.776 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.614 6.321 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.953 5.891 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.624 7.509 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.349 6.927 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.601 5.449 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.416 5.570 -7.276 1.00 0.00 H new ATOM 506 N CYS A 35 -1.630 3.969 -0.925 1.00 0.00 N ATOM 507 CA CYS A 35 -3.063 3.599 -0.735 1.00 0.00 C ATOM 508 C CYS A 35 -3.973 4.764 -1.137 1.00 0.00 C ATOM 509 O CYS A 35 -3.664 5.914 -0.904 1.00 0.00 O ATOM 510 CB CYS A 35 -3.195 3.309 0.760 1.00 0.00 C ATOM 511 SG CYS A 35 -2.301 1.787 1.158 1.00 0.00 S ATOM 0 H CYS A 35 -1.186 4.412 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.355 2.746 -1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.795 4.141 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.246 3.208 1.031 1.00 0.00 H new ATOM 516 N TYR A 36 -5.098 4.475 -1.736 1.00 0.00 N ATOM 517 CA TYR A 36 -6.024 5.569 -2.146 1.00 0.00 C ATOM 518 C TYR A 36 -7.113 5.768 -1.080 1.00 0.00 C ATOM 519 O TYR A 36 -7.691 4.807 -0.611 1.00 0.00 O ATOM 520 CB TYR A 36 -6.645 5.091 -3.459 1.00 0.00 C ATOM 521 CG TYR A 36 -5.805 5.572 -4.618 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.367 6.900 -4.661 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.463 4.688 -5.649 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.587 7.347 -5.735 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.683 5.135 -6.723 1.00 0.00 C ATOM 526 CZ TYR A 36 -4.246 6.464 -6.766 1.00 0.00 C ATOM 527 OH TYR A 36 -3.477 6.904 -7.824 1.00 0.00 O ATOM 0 H TYR A 36 -5.414 3.531 -1.958 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.510 6.523 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.708 4.003 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.663 5.470 -3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.631 7.581 -3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.800 3.663 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.249 8.372 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.419 4.454 -7.518 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.331 6.166 -8.451 1.00 0.00 H new ATOM 537 N PRO A 37 -7.363 7.007 -0.725 1.00 0.00 N ATOM 538 CA PRO A 37 -8.394 7.312 0.298 1.00 0.00 C ATOM 539 C PRO A 37 -9.775 6.852 -0.177 1.00 0.00 C ATOM 540 O PRO A 37 -10.093 7.088 -1.332 1.00 0.00 O ATOM 541 CB PRO A 37 -8.328 8.838 0.399 1.00 0.00 C ATOM 542 CG PRO A 37 -7.257 9.355 -0.580 1.00 0.00 C ATOM 543 CD PRO A 37 -6.641 8.159 -1.315 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.492 6.272 0.622 1.00 0.00 O ATOM 0 HA PRO A 37 -8.226 6.811 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.298 9.274 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.084 9.139 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.702 10.048 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.486 9.904 -0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.793 8.224 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.566 8.091 -1.149 1.00 0.00 H new TER 552 PRO A 37