USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 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 NoAdj-H: A 1 CYS H1 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD NoAdj-H: A 1 CYS H2 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD Single : A 1 CYS N :NH3+ 166:sc= 0.0437 (180deg=-0.0908) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.0629 K(o=-0.063,f=-0.74) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -0.0497 (180deg=-2!) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0364 F(o=-0.87,f=-0.036) USER MOD Single : A 11 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.21) USER MOD Single : A 17 SER OG : rot -27:sc= -0.236 USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0103 (180deg=-0.129) USER MOD Single : A 21 ASN : amide:sc= -1.02 K(o=-1,f=-8.1!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0365 (180deg=-0.314) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -2.474 6.495 -2.312 1.00 0.00 N ATOM 2 CA CYS A 1 -2.676 5.075 -2.348 1.00 0.00 C ATOM 3 C CYS A 1 -2.823 4.616 -0.932 1.00 0.00 C ATOM 4 O CYS A 1 -2.819 5.460 -0.025 1.00 0.00 O ATOM 5 CB CYS A 1 -1.445 4.440 -2.963 1.00 0.00 C ATOM 6 SG CYS A 1 -0.996 5.169 -4.561 1.00 0.00 S ATOM 0 H3 CYS A 1 -2.134 6.821 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 1 -3.556 4.803 -2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -0.607 4.544 -2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.620 3.372 -3.093 1.00 0.00 H new ATOM 11 N ARG A 2 -2.986 3.327 -0.704 1.00 0.00 N ATOM 12 CA ARG A 2 -2.991 2.857 0.654 1.00 0.00 C ATOM 13 C ARG A 2 -1.598 3.058 1.213 1.00 0.00 C ATOM 14 O ARG A 2 -0.617 2.696 0.564 1.00 0.00 O ATOM 15 CB ARG A 2 -3.397 1.393 0.748 1.00 0.00 C ATOM 16 CG ARG A 2 -3.581 0.887 2.173 1.00 0.00 C ATOM 17 CD ARG A 2 -4.647 1.685 2.937 1.00 0.00 C ATOM 18 NE ARG A 2 -5.950 1.703 2.256 1.00 0.00 N ATOM 19 CZ ARG A 2 -6.914 2.617 2.455 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.779 3.535 3.406 1.00 0.00 N ATOM 21 NH2 ARG A 2 -8.017 2.600 1.713 1.00 0.00 N ATOM 0 H ARG A 2 -3.112 2.612 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.726 3.419 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.328 1.250 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.640 0.785 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.864 -0.165 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.632 0.950 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.769 1.257 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.299 2.709 3.071 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.137 0.963 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.941 3.547 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.513 4.228 3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.134 1.891 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.746 3.296 1.868 1.00 0.00 H new ATOM 35 N ILE A 3 -1.525 3.704 2.351 1.00 0.00 N ATOM 36 CA ILE A 3 -0.259 3.997 2.995 1.00 0.00 C ATOM 37 C ILE A 3 0.526 2.715 3.312 1.00 0.00 C ATOM 38 O ILE A 3 -0.071 1.649 3.548 1.00 0.00 O ATOM 39 CB ILE A 3 -0.453 4.839 4.285 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.360 4.106 5.287 1.00 0.00 C ATOM 41 CG2 ILE A 3 -1.030 6.205 3.932 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.493 4.796 6.627 1.00 0.00 C ATOM 0 H ILE A 3 -2.340 4.044 2.861 1.00 0.00 H new ATOM 0 HA ILE A 3 0.322 4.587 2.287 1.00 0.00 H new ATOM 0 HB ILE A 3 0.519 4.981 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.352 3.996 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.968 3.101 5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.163 6.790 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.346 6.727 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.994 6.077 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.149 4.213 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.510 4.882 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.915 5.791 6.484 1.00 0.00 H new ATOM 69 N ASN A 5 2.827 -0.223 5.121 1.00 0.00 N ATOM 70 CA ASN A 5 2.656 -1.009 6.370 1.00 0.00 C ATOM 71 C ASN A 5 1.242 -1.553 6.529 1.00 0.00 C ATOM 72 O ASN A 5 0.981 -2.366 7.413 1.00 0.00 O ATOM 73 CB ASN A 5 3.130 -0.273 7.663 1.00 0.00 C ATOM 74 CG ASN A 5 4.620 0.053 7.674 1.00 0.00 C ATOM 75 OD1 ASN A 5 5.447 -0.746 8.123 1.00 0.00 O ATOM 76 ND2 ASN A 5 4.975 1.226 7.221 1.00 0.00 N ATOM 0 HA ASN A 5 3.329 -1.858 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.564 0.652 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.897 -0.893 8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.957 1.501 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.270 1.866 6.856 1.00 0.00 H new ATOM 83 N GLN A 6 0.328 -1.118 5.678 1.00 0.00 N ATOM 84 CA GLN A 6 -1.033 -1.651 5.684 1.00 0.00 C ATOM 85 C GLN A 6 -1.062 -2.978 4.965 1.00 0.00 C ATOM 86 O GLN A 6 -0.254 -3.216 4.081 1.00 0.00 O ATOM 87 CB GLN A 6 -1.999 -0.706 4.984 1.00 0.00 C ATOM 88 CG GLN A 6 -2.245 0.598 5.700 1.00 0.00 C ATOM 89 CD GLN A 6 -2.920 0.417 7.035 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.679 -0.523 7.249 1.00 0.00 O ATOM 91 NE2 GLN A 6 -2.657 1.308 7.928 1.00 0.00 N ATOM 0 H GLN A 6 0.498 -0.399 4.974 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.339 -1.769 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.614 -0.489 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.953 -1.217 4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.295 1.111 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.861 1.241 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.020 2.075 7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.086 1.246 8.852 1.00 0.00 H new ATOM 100 N LYS A 7 -1.977 -3.837 5.331 1.00 0.00 N ATOM 101 CA LYS A 7 -2.107 -5.117 4.660 1.00 0.00 C ATOM 102 C LYS A 7 -2.738 -4.981 3.293 1.00 0.00 C ATOM 103 O LYS A 7 -3.784 -4.342 3.134 1.00 0.00 O ATOM 104 CB LYS A 7 -2.897 -6.127 5.495 1.00 0.00 C ATOM 105 CG LYS A 7 -2.133 -6.725 6.662 1.00 0.00 C ATOM 106 CD LYS A 7 -0.917 -7.581 6.232 1.00 0.00 C ATOM 107 CE LYS A 7 -1.279 -8.930 5.554 1.00 0.00 C ATOM 108 NZ LYS A 7 -1.881 -8.818 4.186 1.00 0.00 N ATOM 0 H LYS A 7 -2.644 -3.681 6.087 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.091 -5.492 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.793 -5.639 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.228 -6.936 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.789 -5.920 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.811 -7.342 7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.304 -6.998 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.305 -7.785 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.377 -9.538 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.977 -9.465 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.589 -9.633 3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.918 -8.803 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.554 -7.940 3.734 1.00 0.00 H new ATOM 122 N CYS A 8 -2.106 -5.579 2.322 1.00 0.00 N ATOM 123 CA CYS A 8 -2.633 -5.622 0.992 1.00 0.00 C ATOM 124 C CYS A 8 -2.949 -7.062 0.662 1.00 0.00 C ATOM 125 O CYS A 8 -2.432 -7.982 1.332 1.00 0.00 O ATOM 126 CB CYS A 8 -1.638 -5.052 -0.013 1.00 0.00 C ATOM 127 SG CYS A 8 -0.048 -5.915 -0.038 1.00 0.00 S ATOM 0 H CYS A 8 -1.209 -6.051 2.434 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.534 -5.012 0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.079 -5.093 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.466 -4.000 0.217 1.00 0.00 H new ATOM 132 N PHE A 9 -3.813 -7.266 -0.311 1.00 0.00 N ATOM 133 CA PHE A 9 -4.253 -8.580 -0.719 1.00 0.00 C ATOM 134 C PHE A 9 -4.481 -8.529 -2.209 1.00 0.00 C ATOM 135 O PHE A 9 -4.618 -7.439 -2.763 1.00 0.00 O ATOM 136 CB PHE A 9 -5.581 -8.951 -0.018 1.00 0.00 C ATOM 137 CG PHE A 9 -5.513 -8.935 1.484 1.00 0.00 C ATOM 138 CD1 PHE A 9 -5.010 -10.013 2.182 1.00 0.00 C ATOM 139 CD2 PHE A 9 -5.940 -7.828 2.192 1.00 0.00 C ATOM 140 CE1 PHE A 9 -4.931 -9.988 3.554 1.00 0.00 C ATOM 141 CE2 PHE A 9 -5.864 -7.797 3.560 1.00 0.00 C ATOM 142 CZ PHE A 9 -5.358 -8.876 4.245 1.00 0.00 C ATOM 0 H PHE A 9 -4.235 -6.509 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.505 -9.326 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.356 -8.257 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.886 -9.945 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.674 -10.887 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.339 -6.976 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.535 -10.839 4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.202 -6.925 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.295 -8.852 5.323 1.00 0.00 H new ATOM 152 N GLN A 10 -4.562 -9.673 -2.850 1.00 0.00 N ATOM 153 CA GLN A 10 -4.778 -9.717 -4.300 1.00 0.00 C ATOM 154 C GLN A 10 -6.220 -9.397 -4.678 1.00 0.00 C ATOM 155 O GLN A 10 -6.523 -9.091 -5.830 1.00 0.00 O ATOM 156 CB GLN A 10 -4.322 -11.043 -4.926 1.00 0.00 C ATOM 157 CG GLN A 10 -2.800 -11.183 -5.093 1.00 0.00 C ATOM 158 CD GLN A 10 -2.028 -11.377 -3.793 1.00 0.00 C ATOM 159 OE1 GLN A 10 -2.588 -12.110 -2.867 1.00 0.00 O flip ATOM 160 NE2 GLN A 10 -0.891 -10.929 -3.662 1.00 0.00 N flip ATOM 0 H GLN A 10 -4.484 -10.587 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.147 -8.933 -4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.683 -11.865 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.793 -11.149 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.597 -12.030 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.421 -10.293 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.479 -10.360 -4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.360 -11.127 -2.814 1.00 0.00 H new ATOM 169 N HIS A 11 -7.093 -9.454 -3.699 1.00 0.00 N ATOM 170 CA HIS A 11 -8.502 -9.123 -3.879 1.00 0.00 C ATOM 171 C HIS A 11 -8.784 -7.720 -3.344 1.00 0.00 C ATOM 172 O HIS A 11 -9.929 -7.307 -3.190 1.00 0.00 O ATOM 173 CB HIS A 11 -9.407 -10.183 -3.204 1.00 0.00 C ATOM 174 CG HIS A 11 -9.077 -10.481 -1.765 1.00 0.00 C ATOM 175 ND1 HIS A 11 -8.180 -11.453 -1.378 1.00 0.00 N ATOM 176 CD2 HIS A 11 -9.541 -9.925 -0.620 1.00 0.00 C ATOM 177 CE1 HIS A 11 -8.125 -11.463 -0.044 1.00 0.00 C ATOM 178 NE2 HIS A 11 -8.936 -10.550 0.470 1.00 0.00 N ATOM 0 H HIS A 11 -6.852 -9.732 -2.748 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.733 -9.131 -4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.441 -9.844 -3.261 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.343 -11.109 -3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.264 -9.125 -0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -7.503 -12.127 0.538 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.087 -10.346 1.458 1.00 0.00 H new ATOM 186 N LEU A 12 -7.723 -7.005 -3.073 1.00 0.00 N ATOM 187 CA LEU A 12 -7.776 -5.649 -2.593 1.00 0.00 C ATOM 188 C LEU A 12 -7.042 -4.823 -3.628 1.00 0.00 C ATOM 189 O LEU A 12 -6.130 -5.344 -4.255 1.00 0.00 O ATOM 190 CB LEU A 12 -7.048 -5.563 -1.258 1.00 0.00 C ATOM 191 CG LEU A 12 -7.103 -4.225 -0.555 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.499 -3.949 -0.044 1.00 0.00 C ATOM 193 CD2 LEU A 12 -6.084 -4.166 0.555 1.00 0.00 C ATOM 0 H LEU A 12 -6.773 -7.360 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.799 -5.301 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.464 -6.318 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.002 -5.822 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.854 -3.444 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.518 -2.982 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.197 -3.937 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.790 -4.729 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.139 -3.196 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.289 -4.954 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.086 -4.306 0.140 1.00 0.00 H new ATOM 205 N ASP A 13 -7.393 -3.574 -3.829 1.00 0.00 N ATOM 206 CA ASP A 13 -6.752 -2.836 -4.913 1.00 0.00 C ATOM 207 C ASP A 13 -6.392 -1.395 -4.508 1.00 0.00 C ATOM 208 O ASP A 13 -6.113 -0.547 -5.347 1.00 0.00 O ATOM 209 CB ASP A 13 -7.672 -2.873 -6.142 1.00 0.00 C ATOM 210 CG ASP A 13 -6.989 -2.461 -7.420 1.00 0.00 C ATOM 211 OD1 ASP A 13 -6.035 -3.152 -7.845 1.00 0.00 O ATOM 212 OD2 ASP A 13 -7.436 -1.484 -8.080 1.00 0.00 O ATOM 0 H ASP A 13 -8.087 -3.058 -3.288 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.803 -3.315 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.066 -3.882 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.524 -2.216 -5.967 1.00 0.00 H new ATOM 217 N ASP A 14 -6.323 -1.143 -3.203 1.00 0.00 N ATOM 218 CA ASP A 14 -5.984 0.209 -2.686 1.00 0.00 C ATOM 219 C ASP A 14 -4.537 0.613 -2.989 1.00 0.00 C ATOM 220 O ASP A 14 -4.165 1.798 -2.898 1.00 0.00 O ATOM 221 CB ASP A 14 -6.225 0.339 -1.186 1.00 0.00 C ATOM 222 CG ASP A 14 -7.670 0.336 -0.778 1.00 0.00 C ATOM 223 OD1 ASP A 14 -8.269 1.421 -0.710 1.00 0.00 O ATOM 224 OD2 ASP A 14 -8.202 -0.735 -0.447 1.00 0.00 O ATOM 0 H ASP A 14 -6.493 -1.841 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.657 0.885 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.717 -0.481 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.765 1.264 -0.837 1.00 0.00 H new ATOM 229 N CYS A 15 -3.724 -0.343 -3.319 1.00 0.00 N ATOM 230 CA CYS A 15 -2.354 -0.084 -3.676 1.00 0.00 C ATOM 231 C CYS A 15 -2.320 0.251 -5.159 1.00 0.00 C ATOM 232 O CYS A 15 -2.540 -0.624 -5.984 1.00 0.00 O ATOM 233 CB CYS A 15 -1.506 -1.313 -3.370 1.00 0.00 C ATOM 234 SG CYS A 15 -1.634 -1.864 -1.642 1.00 0.00 S ATOM 0 H CYS A 15 -3.987 -1.328 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.948 0.750 -3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.810 -2.128 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.463 -1.092 -3.597 1.00 0.00 H new ATOM 239 N CYS A 16 -2.037 1.515 -5.483 1.00 0.00 N ATOM 240 CA CYS A 16 -2.150 2.034 -6.852 1.00 0.00 C ATOM 241 C CYS A 16 -1.379 1.203 -7.885 1.00 0.00 C ATOM 242 O CYS A 16 -1.890 0.895 -8.942 1.00 0.00 O ATOM 243 CB CYS A 16 -1.689 3.485 -6.936 1.00 0.00 C ATOM 244 SG CYS A 16 -2.504 4.607 -5.772 1.00 0.00 S ATOM 0 H CYS A 16 -1.723 2.209 -4.805 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.210 1.966 -7.097 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.614 3.521 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.860 3.848 -7.949 1.00 0.00 H new ATOM 249 N SER A 17 -0.154 0.829 -7.564 1.00 0.00 N ATOM 250 CA SER A 17 0.647 0.066 -8.498 1.00 0.00 C ATOM 251 C SER A 17 0.668 -1.419 -8.089 1.00 0.00 C ATOM 252 O SER A 17 1.391 -2.228 -8.656 1.00 0.00 O ATOM 253 CB SER A 17 2.067 0.675 -8.585 1.00 0.00 C ATOM 254 OG SER A 17 2.878 0.043 -9.565 1.00 0.00 O ATOM 0 H SER A 17 0.302 1.038 -6.676 1.00 0.00 H new ATOM 0 HA SER A 17 0.207 0.117 -9.494 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.988 1.737 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.552 0.595 -7.612 1.00 0.00 H new ATOM 0 HG SER A 17 2.581 -0.883 -9.688 1.00 0.00 H new ATOM 260 N ARG A 18 -0.193 -1.759 -7.114 1.00 0.00 N ATOM 261 CA ARG A 18 -0.327 -3.127 -6.565 1.00 0.00 C ATOM 262 C ARG A 18 0.994 -3.630 -5.973 1.00 0.00 C ATOM 263 O ARG A 18 1.270 -4.836 -5.928 1.00 0.00 O ATOM 264 CB ARG A 18 -0.920 -4.128 -7.603 1.00 0.00 C ATOM 265 CG ARG A 18 -2.378 -3.848 -8.014 1.00 0.00 C ATOM 266 CD ARG A 18 -2.507 -2.618 -8.905 1.00 0.00 C ATOM 267 NE ARG A 18 -3.896 -2.210 -9.101 1.00 0.00 N ATOM 268 CZ ARG A 18 -4.320 -1.320 -10.002 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.473 -0.772 -10.851 1.00 0.00 N ATOM 270 NH2 ARG A 18 -5.594 -0.968 -10.030 1.00 0.00 N ATOM 0 H ARG A 18 -0.824 -1.087 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.046 -3.069 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.297 -4.114 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.861 -5.135 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.777 -4.716 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.984 -3.710 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.949 -1.793 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.053 -2.826 -9.874 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.600 -2.640 -8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.486 -1.027 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.805 -0.093 -11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.251 -1.376 -9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.920 -0.288 -10.717 1.00 0.00 H new ATOM 284 N LYS A 19 1.767 -2.692 -5.457 1.00 0.00 N ATOM 285 CA LYS A 19 3.046 -2.978 -4.859 1.00 0.00 C ATOM 286 C LYS A 19 2.892 -3.436 -3.438 1.00 0.00 C ATOM 287 O LYS A 19 2.350 -2.727 -2.583 1.00 0.00 O ATOM 288 CB LYS A 19 3.965 -1.770 -4.924 1.00 0.00 C ATOM 289 CG LYS A 19 4.439 -1.442 -6.315 1.00 0.00 C ATOM 290 CD LYS A 19 5.152 -0.104 -6.345 1.00 0.00 C ATOM 291 CE LYS A 19 5.720 0.223 -7.720 1.00 0.00 C ATOM 292 NZ LYS A 19 6.794 -0.713 -8.117 1.00 0.00 N ATOM 0 H LYS A 19 1.517 -1.703 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 19 3.499 -3.786 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.443 -0.905 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.832 -1.950 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.111 -2.224 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.589 -1.421 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.457 0.681 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.960 -0.110 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.920 0.190 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.110 1.241 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.265 -0.358 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.489 -0.791 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.385 -1.649 -8.310 1.00 0.00 H new ATOM 306 N CYS A 20 3.351 -4.603 -3.210 1.00 0.00 N ATOM 307 CA CYS A 20 3.328 -5.220 -1.917 1.00 0.00 C ATOM 308 C CYS A 20 4.689 -5.773 -1.598 1.00 0.00 C ATOM 309 O CYS A 20 5.437 -6.157 -2.503 1.00 0.00 O ATOM 310 CB CYS A 20 2.288 -6.338 -1.865 1.00 0.00 C ATOM 311 SG CYS A 20 0.564 -5.773 -1.960 1.00 0.00 S ATOM 0 H CYS A 20 3.770 -5.187 -3.933 1.00 0.00 H new ATOM 0 HA CYS A 20 3.057 -4.466 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.476 -7.029 -2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.422 -6.898 -0.940 1.00 0.00 H new ATOM 316 N ASN A 21 5.030 -5.788 -0.336 1.00 0.00 N ATOM 317 CA ASN A 21 6.282 -6.362 0.101 1.00 0.00 C ATOM 318 C ASN A 21 6.085 -7.853 0.374 1.00 0.00 C ATOM 319 O ASN A 21 4.945 -8.358 0.288 1.00 0.00 O ATOM 320 CB ASN A 21 6.879 -5.613 1.326 1.00 0.00 C ATOM 321 CG ASN A 21 6.065 -5.680 2.623 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.337 -6.638 2.897 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.200 -4.663 3.433 1.00 0.00 N ATOM 0 H ASN A 21 4.455 -5.407 0.415 1.00 0.00 H new ATOM 0 HA ASN A 21 7.016 -6.246 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.872 -6.017 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.009 -4.565 1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.696 -4.647 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.809 -3.886 3.178 1.00 0.00 H new ATOM 330 N ARG A 22 7.152 -8.560 0.727 1.00 0.00 N ATOM 331 CA ARG A 22 7.081 -10.017 0.922 1.00 0.00 C ATOM 332 C ARG A 22 6.212 -10.438 2.116 1.00 0.00 C ATOM 333 O ARG A 22 5.821 -11.593 2.222 1.00 0.00 O ATOM 334 CB ARG A 22 8.471 -10.650 1.022 1.00 0.00 C ATOM 335 CG ARG A 22 9.283 -10.264 2.243 1.00 0.00 C ATOM 336 CD ARG A 22 10.604 -11.005 2.260 1.00 0.00 C ATOM 337 NE ARG A 22 11.435 -10.652 3.415 1.00 0.00 N ATOM 338 CZ ARG A 22 12.311 -11.475 4.008 1.00 0.00 C ATOM 339 NH1 ARG A 22 12.450 -12.721 3.584 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.040 -11.042 5.024 1.00 0.00 N ATOM 0 H ARG A 22 8.076 -8.158 0.885 1.00 0.00 H new ATOM 0 HA ARG A 22 6.589 -10.398 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.358 -11.734 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.038 -10.380 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.463 -9.189 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.720 -10.492 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.414 -12.078 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.151 -10.785 1.343 1.00 0.00 H new ATOM 0 HE ARG A 22 11.339 -9.710 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.889 -13.059 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.118 -13.343 4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.935 -10.083 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.707 -11.667 5.476 1.00 0.00 H new ATOM 354 N PHE A 23 5.896 -9.506 2.987 1.00 0.00 N ATOM 355 CA PHE A 23 5.075 -9.806 4.141 1.00 0.00 C ATOM 356 C PHE A 23 3.615 -9.477 3.875 1.00 0.00 C ATOM 357 O PHE A 23 2.773 -9.570 4.774 1.00 0.00 O ATOM 358 CB PHE A 23 5.583 -9.078 5.383 1.00 0.00 C ATOM 359 CG PHE A 23 6.870 -9.631 5.901 1.00 0.00 C ATOM 360 CD1 PHE A 23 6.866 -10.665 6.809 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.077 -9.129 5.477 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.041 -11.187 7.287 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.261 -9.643 5.950 1.00 0.00 C ATOM 364 CZ PHE A 23 9.246 -10.676 6.856 1.00 0.00 C ATOM 0 H PHE A 23 6.195 -8.533 2.919 1.00 0.00 H new ATOM 0 HA PHE A 23 5.147 -10.877 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.716 -8.022 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.827 -9.138 6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.925 -11.071 7.150 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.096 -8.320 4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.022 -11.998 8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.202 -9.235 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.174 -11.085 7.228 1.00 0.00 H new ATOM 374 N ASN A 24 3.321 -9.105 2.623 1.00 0.00 N ATOM 375 CA ASN A 24 1.959 -8.787 2.159 1.00 0.00 C ATOM 376 C ASN A 24 1.455 -7.467 2.720 1.00 0.00 C ATOM 377 O ASN A 24 0.235 -7.281 2.973 1.00 0.00 O ATOM 378 CB ASN A 24 0.955 -9.937 2.410 1.00 0.00 C ATOM 379 CG ASN A 24 1.256 -11.170 1.579 1.00 0.00 C ATOM 380 OD1 ASN A 24 0.786 -11.294 0.448 1.00 0.00 O ATOM 381 ND2 ASN A 24 2.007 -12.091 2.127 1.00 0.00 N ATOM 0 H ASN A 24 4.028 -9.014 1.893 1.00 0.00 H new ATOM 0 HA ASN A 24 2.031 -8.671 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.971 -10.204 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.053 -9.589 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.220 -12.947 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.379 -11.953 3.067 1.00 0.00 H new ATOM 388 N LYS A 25 2.375 -6.547 2.913 1.00 0.00 N ATOM 389 CA LYS A 25 2.037 -5.193 3.282 1.00 0.00 C ATOM 390 C LYS A 25 2.192 -4.322 2.062 1.00 0.00 C ATOM 391 O LYS A 25 3.029 -4.608 1.194 1.00 0.00 O ATOM 392 CB LYS A 25 2.891 -4.631 4.441 1.00 0.00 C ATOM 393 CG LYS A 25 2.586 -5.183 5.838 1.00 0.00 C ATOM 394 CD LYS A 25 2.912 -6.653 5.969 1.00 0.00 C ATOM 395 CE LYS A 25 2.704 -7.167 7.381 1.00 0.00 C ATOM 396 NZ LYS A 25 3.563 -6.473 8.361 1.00 0.00 N ATOM 0 H LYS A 25 3.376 -6.718 2.818 1.00 0.00 H new ATOM 0 HA LYS A 25 1.010 -5.197 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.940 -4.825 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.765 -3.549 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.156 -4.621 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.531 -5.028 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.287 -7.224 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.948 -6.821 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.659 -7.039 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.913 -8.236 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.581 -7.012 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.529 -6.396 7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.185 -5.521 8.541 1.00 0.00 H new ATOM 410 N CYS A 26 1.403 -3.302 1.995 1.00 0.00 N ATOM 411 CA CYS A 26 1.374 -2.414 0.869 1.00 0.00 C ATOM 412 C CYS A 26 2.540 -1.463 0.969 1.00 0.00 C ATOM 413 O CYS A 26 2.841 -0.951 2.063 1.00 0.00 O ATOM 414 CB CYS A 26 0.052 -1.629 0.869 1.00 0.00 C ATOM 415 SG CYS A 26 -0.298 -0.692 -0.659 1.00 0.00 S ATOM 0 H CYS A 26 0.745 -3.053 2.734 1.00 0.00 H new ATOM 0 HA CYS A 26 1.446 -2.983 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.766 -2.328 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.061 -0.934 1.708 1.00 0.00 H new ATOM 420 N VAL A 27 3.218 -1.262 -0.127 1.00 0.00 N ATOM 421 CA VAL A 27 4.313 -0.344 -0.171 1.00 0.00 C ATOM 422 C VAL A 27 4.027 0.774 -1.153 1.00 0.00 C ATOM 423 O VAL A 27 3.366 0.566 -2.182 1.00 0.00 O ATOM 424 CB VAL A 27 5.704 -1.027 -0.396 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.131 -1.744 0.864 1.00 0.00 C ATOM 426 CG2 VAL A 27 5.664 -2.029 -1.533 1.00 0.00 C ATOM 0 H VAL A 27 3.024 -1.731 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 27 4.400 0.100 0.821 1.00 0.00 H new ATOM 0 HB VAL A 27 6.415 -0.241 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.099 -2.218 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.209 -1.027 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.393 -2.505 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.649 -2.480 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.935 -2.807 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.380 -1.522 -2.455 1.00 0.00 H new ATOM 436 N LEU A 28 4.503 1.950 -0.818 1.00 0.00 N ATOM 437 CA LEU A 28 4.183 3.169 -1.530 1.00 0.00 C ATOM 438 C LEU A 28 4.779 3.180 -2.943 1.00 0.00 C ATOM 439 O LEU A 28 5.983 2.935 -3.125 1.00 0.00 O ATOM 440 CB LEU A 28 4.705 4.364 -0.728 1.00 0.00 C ATOM 441 CG LEU A 28 4.312 5.758 -1.210 1.00 0.00 C ATOM 442 CD1 LEU A 28 2.822 6.008 -1.002 1.00 0.00 C ATOM 443 CD2 LEU A 28 5.136 6.802 -0.486 1.00 0.00 C ATOM 0 H LEU A 28 5.135 2.091 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 28 3.100 3.231 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.363 4.254 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.793 4.308 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 28 4.514 5.827 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.568 7.008 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.248 5.270 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.584 5.925 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.852 7.795 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.956 6.728 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.194 6.636 -0.689 1.00 0.00 H new ATOM 455 N PRO A 29 3.948 3.433 -3.959 1.00 0.00 N ATOM 456 CA PRO A 29 4.401 3.561 -5.330 1.00 0.00 C ATOM 457 C PRO A 29 4.932 4.971 -5.615 1.00 0.00 C ATOM 458 O PRO A 29 4.848 5.865 -4.766 1.00 0.00 O ATOM 459 CB PRO A 29 3.141 3.287 -6.138 1.00 0.00 C ATOM 460 CG PRO A 29 2.027 3.748 -5.270 1.00 0.00 C ATOM 461 CD PRO A 29 2.494 3.602 -3.844 1.00 0.00 C ATOM 0 HA PRO A 29 5.224 2.886 -5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.153 3.826 -7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.046 2.227 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.771 4.785 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.130 3.154 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.240 4.480 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.030 2.743 -3.358 1.00 0.00 H new ATOM 469 N GLU A 30 5.442 5.167 -6.799 1.00 0.00 N ATOM 470 CA GLU A 30 6.058 6.418 -7.166 1.00 0.00 C ATOM 471 C GLU A 30 5.054 7.354 -7.811 1.00 0.00 C ATOM 472 O GLU A 30 4.954 8.519 -7.423 1.00 0.00 O ATOM 473 CB GLU A 30 7.230 6.220 -8.148 1.00 0.00 C ATOM 474 CG GLU A 30 8.339 5.265 -7.714 1.00 0.00 C ATOM 475 CD GLU A 30 7.935 3.815 -7.785 1.00 0.00 C ATOM 476 OE1 GLU A 30 7.759 3.290 -8.913 1.00 0.00 O ATOM 477 OE2 GLU A 30 7.777 3.182 -6.738 1.00 0.00 O ATOM 0 H GLU A 30 5.444 4.465 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 30 6.435 6.852 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.824 5.861 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.678 7.194 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.213 5.423 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.636 5.503 -6.693 1.00 0.00 H new ATOM 484 N THR A 31 4.303 6.830 -8.773 1.00 0.00 N ATOM 485 CA THR A 31 3.395 7.623 -9.589 1.00 0.00 C ATOM 486 C THR A 31 2.315 8.335 -8.761 1.00 0.00 C ATOM 487 O THR A 31 2.096 9.542 -8.919 1.00 0.00 O ATOM 488 CB THR A 31 2.745 6.739 -10.669 1.00 0.00 C ATOM 489 OG1 THR A 31 3.769 5.952 -11.301 1.00 0.00 O ATOM 490 CG2 THR A 31 2.056 7.591 -11.731 1.00 0.00 C ATOM 0 H THR A 31 4.308 5.838 -9.009 1.00 0.00 H new ATOM 0 HA THR A 31 3.992 8.403 -10.063 1.00 0.00 H new ATOM 0 HB THR A 31 2.000 6.100 -10.195 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.366 5.383 -11.990 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.605 6.942 -12.482 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.281 8.198 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.789 8.242 -12.207 1.00 0.00 H new ATOM 498 N GLY A 32 1.678 7.606 -7.888 1.00 0.00 N ATOM 499 CA GLY A 32 0.634 8.167 -7.080 1.00 0.00 C ATOM 500 C GLY A 32 0.999 8.161 -5.628 1.00 0.00 C ATOM 501 O GLY A 32 1.777 7.306 -5.179 1.00 0.00 O ATOM 0 H GLY A 32 1.865 6.618 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.434 9.189 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.285 7.600 -7.227 1.00 0.00 H new ATOM 505 N GLY A 33 0.495 9.123 -4.902 1.00 0.00 N ATOM 506 CA GLY A 33 0.741 9.188 -3.485 1.00 0.00 C ATOM 507 C GLY A 33 -0.484 8.818 -2.687 1.00 0.00 C ATOM 508 O GLY A 33 -0.381 8.280 -1.577 1.00 0.00 O ATOM 0 H GLY A 33 -0.090 9.874 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.560 8.516 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.059 10.196 -3.217 1.00 0.00 H new ATOM 512 N GLY A 34 -1.649 9.054 -3.273 1.00 0.00 N ATOM 513 CA GLY A 34 -2.921 8.792 -2.618 1.00 0.00 C ATOM 514 C GLY A 34 -3.333 7.348 -2.743 1.00 0.00 C ATOM 515 O GLY A 34 -4.416 7.028 -3.234 1.00 0.00 O ATOM 0 H GLY A 34 -1.738 9.433 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.847 9.058 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.691 9.428 -3.054 1.00 0.00 H new