USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=5 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 H2 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD Single : A 1 CYS N :NH3+ -91:sc= 0.23 (180deg=-0.252) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 6 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.47) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc=-0.00134 (180deg=-0.133) USER MOD Single : A 10 GLN : amide:sc= -0.944 K(o=-0.94,f=-0.0073) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00694) USER MOD Single : A 21 ASN : amide:sc= -0.568 K(o=-0.57,f=-11!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 76:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.970 5.037 -2.909 1.00 0.00 N ATOM 2 CA CYS A 1 -3.411 5.267 -2.713 1.00 0.00 C ATOM 3 C CYS A 1 -3.810 4.737 -1.363 1.00 0.00 C ATOM 4 O CYS A 1 -4.606 5.329 -0.632 1.00 0.00 O ATOM 5 CB CYS A 1 -4.231 4.622 -3.822 1.00 0.00 C ATOM 6 SG CYS A 1 -3.731 5.141 -5.489 1.00 0.00 S ATOM 0 H1 CYS A 1 -1.437 5.864 -2.570 1.00 0.00 H new ATOM 0 H3 CYS A 1 -1.776 4.891 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 1 -3.612 6.338 -2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -4.142 3.538 -3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -5.283 4.866 -3.674 1.00 0.00 H new ATOM 11 N ARG A 2 -3.270 3.623 -1.068 1.00 0.00 N ATOM 12 CA ARG A 2 -3.330 3.068 0.258 1.00 0.00 C ATOM 13 C ARG A 2 -2.000 3.376 0.927 1.00 0.00 C ATOM 14 O ARG A 2 -0.958 3.327 0.262 1.00 0.00 O ATOM 15 CB ARG A 2 -3.555 1.556 0.205 1.00 0.00 C ATOM 16 CG ARG A 2 -3.519 0.863 1.561 1.00 0.00 C ATOM 17 CD ARG A 2 -4.648 1.320 2.478 1.00 0.00 C ATOM 18 NE ARG A 2 -5.969 0.886 2.002 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.122 1.556 2.179 1.00 0.00 C ATOM 20 NH1 ARG A 2 -7.128 2.767 2.728 1.00 0.00 N ATOM 21 NH2 ARG A 2 -8.264 1.014 1.773 1.00 0.00 N ATOM 0 H ARG A 2 -2.761 3.047 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.161 3.500 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.520 1.361 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.795 1.111 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.586 -0.215 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.561 1.061 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.479 0.927 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.632 2.407 2.555 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.015 0.002 1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.251 3.199 3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.009 3.264 2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.263 0.095 1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.142 1.516 1.904 1.00 0.00 H new ATOM 35 N ILE A 3 -2.034 3.747 2.195 1.00 0.00 N ATOM 36 CA ILE A 3 -0.809 4.012 2.928 1.00 0.00 C ATOM 37 C ILE A 3 0.048 2.735 3.037 1.00 0.00 C ATOM 38 O ILE A 3 -0.490 1.612 3.088 1.00 0.00 O ATOM 39 CB ILE A 3 -1.064 4.595 4.347 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.928 3.646 5.186 1.00 0.00 C ATOM 41 CG2 ILE A 3 -1.693 5.980 4.254 1.00 0.00 C ATOM 42 CD1 ILE A 3 -2.103 4.075 6.624 1.00 0.00 C ATOM 0 H ILE A 3 -2.890 3.871 2.735 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.271 4.769 2.358 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.103 4.696 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.911 3.561 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.480 2.653 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.863 6.370 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.023 6.648 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.643 5.913 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.727 3.350 7.147 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.128 4.131 7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.581 5.054 6.656 1.00 0.00 H new ATOM 69 N ASN A 5 2.825 -0.121 4.575 1.00 0.00 N ATOM 70 CA ASN A 5 2.893 -0.950 5.789 1.00 0.00 C ATOM 71 C ASN A 5 1.558 -1.604 6.125 1.00 0.00 C ATOM 72 O ASN A 5 1.470 -2.426 7.031 1.00 0.00 O ATOM 73 CB ASN A 5 3.507 -0.209 7.003 1.00 0.00 C ATOM 74 CG ASN A 5 5.027 -0.043 6.916 1.00 0.00 C ATOM 75 OD1 ASN A 5 5.627 -0.025 5.829 1.00 0.00 O ATOM 76 ND2 ASN A 5 5.658 0.107 8.049 1.00 0.00 N ATOM 0 HA ASN A 5 3.586 -1.757 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.047 0.775 7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.261 -0.755 7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.669 0.243 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.140 0.088 8.928 1.00 0.00 H new ATOM 83 N GLN A 6 0.528 -1.263 5.374 1.00 0.00 N ATOM 84 CA GLN A 6 -0.783 -1.870 5.538 1.00 0.00 C ATOM 85 C GLN A 6 -0.852 -3.168 4.777 1.00 0.00 C ATOM 86 O GLN A 6 -0.084 -3.375 3.853 1.00 0.00 O ATOM 87 CB GLN A 6 -1.886 -0.930 5.074 1.00 0.00 C ATOM 88 CG GLN A 6 -2.117 0.235 6.000 1.00 0.00 C ATOM 89 CD GLN A 6 -2.643 -0.207 7.347 1.00 0.00 C ATOM 90 OE1 GLN A 6 -1.884 -0.486 8.276 1.00 0.00 O ATOM 91 NE2 GLN A 6 -3.936 -0.288 7.467 1.00 0.00 N ATOM 0 H GLN A 6 0.574 -0.561 4.636 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.934 -2.069 6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.636 -0.551 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.814 -1.494 4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.183 0.780 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.825 0.926 5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.537 -0.050 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.348 -0.590 8.350 1.00 0.00 H new ATOM 100 N LYS A 7 -1.762 -4.028 5.157 1.00 0.00 N ATOM 101 CA LYS A 7 -1.888 -5.321 4.519 1.00 0.00 C ATOM 102 C LYS A 7 -2.663 -5.198 3.218 1.00 0.00 C ATOM 103 O LYS A 7 -3.763 -4.642 3.190 1.00 0.00 O ATOM 104 CB LYS A 7 -2.561 -6.328 5.464 1.00 0.00 C ATOM 105 CG LYS A 7 -1.811 -6.539 6.782 1.00 0.00 C ATOM 106 CD LYS A 7 -0.429 -7.155 6.575 1.00 0.00 C ATOM 107 CE LYS A 7 -0.497 -8.611 6.116 1.00 0.00 C ATOM 108 NZ LYS A 7 -1.047 -9.499 7.162 1.00 0.00 N ATOM 0 H LYS A 7 -2.431 -3.859 5.908 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.889 -5.691 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.572 -5.985 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.653 -7.286 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.706 -5.582 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.400 -7.186 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.118 -6.570 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.134 -7.098 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.115 -8.680 5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.501 -8.951 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.889 -10.491 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.572 -9.306 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.068 -9.326 7.263 1.00 0.00 H new ATOM 122 N CYS A 8 -2.077 -5.677 2.168 1.00 0.00 N ATOM 123 CA CYS A 8 -2.661 -5.652 0.850 1.00 0.00 C ATOM 124 C CYS A 8 -2.553 -7.035 0.235 1.00 0.00 C ATOM 125 O CYS A 8 -1.533 -7.710 0.389 1.00 0.00 O ATOM 126 CB CYS A 8 -1.939 -4.610 -0.013 1.00 0.00 C ATOM 127 SG CYS A 8 -0.121 -4.748 0.051 1.00 0.00 S ATOM 0 H CYS A 8 -1.154 -6.110 2.196 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.713 -5.375 0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.268 -4.715 -1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.232 -3.612 0.314 1.00 0.00 H new ATOM 132 N PHE A 9 -3.597 -7.466 -0.428 1.00 0.00 N ATOM 133 CA PHE A 9 -3.635 -8.788 -1.023 1.00 0.00 C ATOM 134 C PHE A 9 -4.074 -8.670 -2.468 1.00 0.00 C ATOM 135 O PHE A 9 -4.461 -7.591 -2.891 1.00 0.00 O ATOM 136 CB PHE A 9 -4.571 -9.720 -0.235 1.00 0.00 C ATOM 137 CG PHE A 9 -4.130 -10.003 1.184 1.00 0.00 C ATOM 138 CD1 PHE A 9 -3.303 -11.079 1.460 1.00 0.00 C ATOM 139 CD2 PHE A 9 -4.546 -9.202 2.239 1.00 0.00 C ATOM 140 CE1 PHE A 9 -2.899 -11.348 2.752 1.00 0.00 C ATOM 141 CE2 PHE A 9 -4.146 -9.468 3.532 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.321 -10.542 3.788 1.00 0.00 C ATOM 0 H PHE A 9 -4.444 -6.916 -0.573 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.638 -9.227 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.567 -9.277 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.656 -10.666 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.970 -11.716 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.192 -8.359 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.252 -12.190 2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.479 -8.836 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.005 -10.752 4.799 1.00 0.00 H new ATOM 152 N GLN A 10 -4.079 -9.782 -3.186 1.00 0.00 N ATOM 153 CA GLN A 10 -4.336 -9.812 -4.638 1.00 0.00 C ATOM 154 C GLN A 10 -5.741 -9.358 -5.045 1.00 0.00 C ATOM 155 O GLN A 10 -5.978 -9.048 -6.208 1.00 0.00 O ATOM 156 CB GLN A 10 -4.039 -11.191 -5.198 1.00 0.00 C ATOM 157 CG GLN A 10 -2.571 -11.575 -5.100 1.00 0.00 C ATOM 158 CD GLN A 10 -2.280 -12.973 -5.597 1.00 0.00 C ATOM 159 OE1 GLN A 10 -1.202 -13.242 -6.128 1.00 0.00 O ATOM 160 NE2 GLN A 10 -3.202 -13.881 -5.412 1.00 0.00 N ATOM 0 H GLN A 10 -3.904 -10.703 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.657 -9.078 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.637 -11.929 -4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.348 -11.226 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.978 -10.863 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.250 -11.493 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.085 -13.628 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.038 -14.842 -5.710 1.00 0.00 H new ATOM 169 N HIS A 11 -6.668 -9.380 -4.129 1.00 0.00 N ATOM 170 CA HIS A 11 -8.008 -8.874 -4.397 1.00 0.00 C ATOM 171 C HIS A 11 -8.316 -7.710 -3.480 1.00 0.00 C ATOM 172 O HIS A 11 -9.459 -7.259 -3.376 1.00 0.00 O ATOM 173 CB HIS A 11 -9.072 -9.976 -4.240 1.00 0.00 C ATOM 174 CG HIS A 11 -9.003 -11.053 -5.280 1.00 0.00 C ATOM 175 ND1 HIS A 11 -8.714 -12.375 -5.014 1.00 0.00 N ATOM 176 CD2 HIS A 11 -9.246 -10.987 -6.606 1.00 0.00 C ATOM 177 CE1 HIS A 11 -8.790 -13.058 -6.159 1.00 0.00 C ATOM 178 NE2 HIS A 11 -9.115 -12.259 -7.166 1.00 0.00 N ATOM 0 H HIS A 11 -6.532 -9.741 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.037 -8.533 -5.432 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.965 -10.431 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.060 -9.518 -4.273 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.502 -10.089 -7.149 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -8.611 -14.119 -6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.242 -12.519 -8.144 1.00 0.00 H new ATOM 186 N LEU A 12 -7.290 -7.203 -2.845 1.00 0.00 N ATOM 187 CA LEU A 12 -7.419 -6.150 -1.857 1.00 0.00 C ATOM 188 C LEU A 12 -6.348 -5.107 -2.109 1.00 0.00 C ATOM 189 O LEU A 12 -5.808 -4.490 -1.172 1.00 0.00 O ATOM 190 CB LEU A 12 -7.255 -6.745 -0.445 1.00 0.00 C ATOM 191 CG LEU A 12 -8.311 -7.775 -0.006 1.00 0.00 C ATOM 192 CD1 LEU A 12 -7.954 -8.358 1.341 1.00 0.00 C ATOM 193 CD2 LEU A 12 -9.687 -7.143 0.058 1.00 0.00 C ATOM 0 H LEU A 12 -6.329 -7.510 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.403 -5.687 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.274 -7.216 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.259 -5.925 0.273 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.328 -8.575 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.712 -9.084 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.984 -8.851 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.909 -7.560 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.416 -7.890 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.678 -6.323 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.958 -6.761 -0.926 1.00 0.00 H new ATOM 205 N ASP A 13 -6.051 -4.902 -3.369 1.00 0.00 N ATOM 206 CA ASP A 13 -5.022 -3.953 -3.778 1.00 0.00 C ATOM 207 C ASP A 13 -5.552 -2.537 -3.741 1.00 0.00 C ATOM 208 O ASP A 13 -6.093 -2.037 -4.735 1.00 0.00 O ATOM 209 CB ASP A 13 -4.514 -4.201 -5.204 1.00 0.00 C ATOM 210 CG ASP A 13 -3.961 -5.569 -5.471 1.00 0.00 C ATOM 211 OD1 ASP A 13 -4.722 -6.438 -5.915 1.00 0.00 O ATOM 212 OD2 ASP A 13 -2.747 -5.764 -5.368 1.00 0.00 O ATOM 0 H ASP A 13 -6.509 -5.382 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.203 -4.093 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.334 -4.019 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.740 -3.467 -5.426 1.00 0.00 H new ATOM 217 N ASP A 14 -5.458 -1.893 -2.604 1.00 0.00 N ATOM 218 CA ASP A 14 -5.857 -0.486 -2.532 1.00 0.00 C ATOM 219 C ASP A 14 -4.689 0.395 -2.891 1.00 0.00 C ATOM 220 O ASP A 14 -4.824 1.595 -3.092 1.00 0.00 O ATOM 221 CB ASP A 14 -6.427 -0.087 -1.175 1.00 0.00 C ATOM 222 CG ASP A 14 -7.732 -0.758 -0.849 1.00 0.00 C ATOM 223 OD1 ASP A 14 -8.651 -0.730 -1.674 1.00 0.00 O ATOM 224 OD2 ASP A 14 -7.874 -1.285 0.278 1.00 0.00 O ATOM 0 H ASP A 14 -5.120 -2.296 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.663 -0.349 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.700 -0.329 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.568 0.994 -1.153 1.00 0.00 H new ATOM 229 N CYS A 15 -3.533 -0.204 -2.933 1.00 0.00 N ATOM 230 CA CYS A 15 -2.344 0.458 -3.389 1.00 0.00 C ATOM 231 C CYS A 15 -2.417 0.388 -4.889 1.00 0.00 C ATOM 232 O CYS A 15 -2.431 -0.706 -5.440 1.00 0.00 O ATOM 233 CB CYS A 15 -1.118 -0.296 -2.882 1.00 0.00 C ATOM 234 SG CYS A 15 -1.183 -0.645 -1.105 1.00 0.00 S ATOM 0 H CYS A 15 -3.388 -1.173 -2.650 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.269 1.485 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.025 -1.235 -3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.224 0.288 -3.099 1.00 0.00 H new ATOM 239 N CYS A 16 -2.472 1.520 -5.554 1.00 0.00 N ATOM 240 CA CYS A 16 -2.763 1.532 -6.971 1.00 0.00 C ATOM 241 C CYS A 16 -1.692 0.828 -7.812 1.00 0.00 C ATOM 242 O CYS A 16 -1.996 0.160 -8.801 1.00 0.00 O ATOM 243 CB CYS A 16 -3.044 2.944 -7.476 1.00 0.00 C ATOM 244 SG CYS A 16 -4.503 3.713 -6.694 1.00 0.00 S ATOM 0 H CYS A 16 -2.320 2.440 -5.140 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.675 0.949 -7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.170 3.569 -7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.193 2.914 -8.555 1.00 0.00 H new ATOM 249 N SER A 17 -0.465 0.916 -7.361 1.00 0.00 N ATOM 250 CA SER A 17 0.663 0.331 -8.048 1.00 0.00 C ATOM 251 C SER A 17 0.779 -1.170 -7.719 1.00 0.00 C ATOM 252 O SER A 17 1.575 -1.888 -8.329 1.00 0.00 O ATOM 253 CB SER A 17 1.921 1.061 -7.590 1.00 0.00 C ATOM 254 OG SER A 17 1.691 2.469 -7.561 1.00 0.00 O ATOM 0 H SER A 17 -0.217 1.400 -6.498 1.00 0.00 H new ATOM 0 HA SER A 17 0.533 0.429 -9.126 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.212 0.712 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.747 0.834 -8.263 1.00 0.00 H new ATOM 0 HG SER A 17 2.505 2.927 -7.264 1.00 0.00 H new ATOM 260 N ARG A 18 -0.053 -1.628 -6.749 1.00 0.00 N ATOM 261 CA ARG A 18 -0.064 -3.011 -6.229 1.00 0.00 C ATOM 262 C ARG A 18 1.294 -3.407 -5.679 1.00 0.00 C ATOM 263 O ARG A 18 1.651 -4.584 -5.645 1.00 0.00 O ATOM 264 CB ARG A 18 -0.485 -3.976 -7.306 1.00 0.00 C ATOM 265 CG ARG A 18 -1.799 -3.621 -7.926 1.00 0.00 C ATOM 266 CD ARG A 18 -2.219 -4.675 -8.875 1.00 0.00 C ATOM 267 NE ARG A 18 -2.611 -5.909 -8.191 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.843 -7.082 -8.768 1.00 0.00 C ATOM 269 NH1 ARG A 18 -2.515 -7.294 -10.045 1.00 0.00 N ATOM 270 NH2 ARG A 18 -3.396 -8.052 -8.054 1.00 0.00 N ATOM 0 H ARG A 18 -0.747 -1.030 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.785 -3.051 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.281 -4.004 -8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.548 -4.979 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.554 -3.499 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.718 -2.666 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.055 -4.311 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.402 -4.887 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.715 -5.863 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.080 -6.550 -10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.699 -8.200 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.637 -7.892 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.581 -8.959 -8.483 1.00 0.00 H new ATOM 284 N LYS A 19 2.028 -2.428 -5.208 1.00 0.00 N ATOM 285 CA LYS A 19 3.358 -2.660 -4.741 1.00 0.00 C ATOM 286 C LYS A 19 3.287 -3.159 -3.305 1.00 0.00 C ATOM 287 O LYS A 19 3.086 -2.385 -2.373 1.00 0.00 O ATOM 288 CB LYS A 19 4.160 -1.358 -4.842 1.00 0.00 C ATOM 289 CG LYS A 19 5.643 -1.545 -5.105 1.00 0.00 C ATOM 290 CD LYS A 19 6.343 -0.199 -5.235 1.00 0.00 C ATOM 291 CE LYS A 19 7.767 -0.342 -5.758 1.00 0.00 C ATOM 292 NZ LYS A 19 8.623 -1.163 -4.878 1.00 0.00 N ATOM 0 H LYS A 19 1.717 -1.459 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 19 3.859 -3.414 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.737 -0.748 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.037 -0.799 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.092 -2.116 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.785 -2.123 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.773 0.442 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.362 0.295 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.741 -0.790 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.210 0.648 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.591 -1.184 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.633 -0.753 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.248 -2.132 -4.834 1.00 0.00 H new ATOM 306 N CYS A 20 3.418 -4.443 -3.143 1.00 0.00 N ATOM 307 CA CYS A 20 3.326 -5.064 -1.843 1.00 0.00 C ATOM 308 C CYS A 20 4.540 -5.941 -1.610 1.00 0.00 C ATOM 309 O CYS A 20 5.078 -6.530 -2.556 1.00 0.00 O ATOM 310 CB CYS A 20 2.034 -5.893 -1.735 1.00 0.00 C ATOM 311 SG CYS A 20 0.478 -4.934 -1.879 1.00 0.00 S ATOM 0 H CYS A 20 3.592 -5.096 -3.907 1.00 0.00 H new ATOM 0 HA CYS A 20 3.298 -4.288 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.045 -6.657 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.034 -6.414 -0.777 1.00 0.00 H new ATOM 316 N ASN A 21 5.006 -6.003 -0.388 1.00 0.00 N ATOM 317 CA ASN A 21 6.171 -6.808 -0.062 1.00 0.00 C ATOM 318 C ASN A 21 5.771 -8.240 0.315 1.00 0.00 C ATOM 319 O ASN A 21 4.582 -8.593 0.309 1.00 0.00 O ATOM 320 CB ASN A 21 7.043 -6.148 1.044 1.00 0.00 C ATOM 321 CG ASN A 21 6.376 -6.010 2.422 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.524 -6.806 2.815 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.795 -5.024 3.171 1.00 0.00 N ATOM 0 H ASN A 21 4.599 -5.506 0.405 1.00 0.00 H new ATOM 0 HA ASN A 21 6.786 -6.863 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.956 -6.733 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.341 -5.156 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.414 -4.899 4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.503 -4.380 2.817 1.00 0.00 H new ATOM 330 N ARG A 22 6.762 -9.051 0.648 1.00 0.00 N ATOM 331 CA ARG A 22 6.571 -10.474 0.992 1.00 0.00 C ATOM 332 C ARG A 22 5.723 -10.689 2.251 1.00 0.00 C ATOM 333 O ARG A 22 5.191 -11.774 2.461 1.00 0.00 O ATOM 334 CB ARG A 22 7.918 -11.168 1.160 1.00 0.00 C ATOM 335 CG ARG A 22 8.794 -10.571 2.243 1.00 0.00 C ATOM 336 CD ARG A 22 10.110 -11.294 2.320 1.00 0.00 C ATOM 337 NE ARG A 22 11.029 -10.702 3.292 1.00 0.00 N ATOM 338 CZ ARG A 22 11.937 -11.394 3.995 1.00 0.00 C ATOM 339 NH1 ARG A 22 12.009 -12.716 3.880 1.00 0.00 N ATOM 340 NH2 ARG A 22 12.762 -10.765 4.815 1.00 0.00 N ATOM 0 H ARG A 22 7.735 -8.749 0.691 1.00 0.00 H new ATOM 0 HA ARG A 22 6.023 -10.913 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.746 -12.220 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.455 -11.129 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.965 -9.514 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.284 -10.630 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.931 -12.336 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.579 -11.291 1.336 1.00 0.00 H new ATOM 0 HE ARG A 22 10.975 -9.695 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.372 -13.209 3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.702 -13.238 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.708 -9.751 4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.452 -11.294 5.349 1.00 0.00 H new ATOM 354 N PHE A 23 5.582 -9.665 3.059 1.00 0.00 N ATOM 355 CA PHE A 23 4.817 -9.762 4.291 1.00 0.00 C ATOM 356 C PHE A 23 3.388 -9.320 4.042 1.00 0.00 C ATOM 357 O PHE A 23 2.586 -9.198 4.973 1.00 0.00 O ATOM 358 CB PHE A 23 5.441 -8.876 5.368 1.00 0.00 C ATOM 359 CG PHE A 23 6.858 -9.221 5.673 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.162 -10.397 6.323 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.888 -8.376 5.300 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.461 -10.730 6.601 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.193 -8.702 5.576 1.00 0.00 C ATOM 364 CZ PHE A 23 9.483 -9.882 6.229 1.00 0.00 C ATOM 0 H PHE A 23 5.989 -8.745 2.888 1.00 0.00 H new ATOM 0 HA PHE A 23 4.825 -10.798 4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.390 -7.836 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.851 -8.957 6.281 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.366 -11.065 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.664 -7.452 4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.685 -11.655 7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.991 -8.036 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.508 -10.141 6.448 1.00 0.00 H new ATOM 374 N ASN A 24 3.096 -9.048 2.766 1.00 0.00 N ATOM 375 CA ASN A 24 1.791 -8.574 2.301 1.00 0.00 C ATOM 376 C ASN A 24 1.522 -7.171 2.791 1.00 0.00 C ATOM 377 O ASN A 24 0.379 -6.738 2.889 1.00 0.00 O ATOM 378 CB ASN A 24 0.619 -9.540 2.631 1.00 0.00 C ATOM 379 CG ASN A 24 0.657 -10.834 1.825 1.00 0.00 C ATOM 380 OD1 ASN A 24 0.141 -10.899 0.700 1.00 0.00 O ATOM 381 ND2 ASN A 24 1.219 -11.875 2.384 1.00 0.00 N ATOM 0 H ASN A 24 3.776 -9.154 2.013 1.00 0.00 H new ATOM 0 HA ASN A 24 1.843 -8.553 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.645 -9.781 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.326 -9.031 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.240 -12.769 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.636 -11.793 3.311 1.00 0.00 H new ATOM 388 N LYS A 25 2.593 -6.455 3.072 1.00 0.00 N ATOM 389 CA LYS A 25 2.510 -5.082 3.458 1.00 0.00 C ATOM 390 C LYS A 25 2.756 -4.226 2.240 1.00 0.00 C ATOM 391 O LYS A 25 3.648 -4.524 1.437 1.00 0.00 O ATOM 392 CB LYS A 25 3.536 -4.740 4.515 1.00 0.00 C ATOM 393 CG LYS A 25 3.405 -5.510 5.807 1.00 0.00 C ATOM 394 CD LYS A 25 4.428 -5.003 6.785 1.00 0.00 C ATOM 395 CE LYS A 25 4.488 -5.822 8.069 1.00 0.00 C ATOM 396 NZ LYS A 25 3.215 -5.812 8.818 1.00 0.00 N ATOM 0 H LYS A 25 3.544 -6.822 3.035 1.00 0.00 H new ATOM 0 HA LYS A 25 1.520 -4.898 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.530 -4.916 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.466 -3.675 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.402 -5.391 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.552 -6.575 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.409 -5.010 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.201 -3.966 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.752 -6.851 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.282 -5.432 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.315 -6.384 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.973 -4.835 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.460 -6.210 8.224 1.00 0.00 H new ATOM 410 N CYS A 26 1.963 -3.225 2.083 1.00 0.00 N ATOM 411 CA CYS A 26 2.074 -2.302 0.979 1.00 0.00 C ATOM 412 C CYS A 26 3.352 -1.488 1.119 1.00 0.00 C ATOM 413 O CYS A 26 3.695 -1.044 2.221 1.00 0.00 O ATOM 414 CB CYS A 26 0.848 -1.385 0.977 1.00 0.00 C ATOM 415 SG CYS A 26 0.698 -0.277 -0.456 1.00 0.00 S ATOM 0 H CYS A 26 1.200 -3.010 2.724 1.00 0.00 H new ATOM 0 HA CYS A 26 2.116 -2.847 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.047 -2.005 1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.869 -0.778 1.882 1.00 0.00 H new ATOM 420 N VAL A 27 4.065 -1.322 0.043 1.00 0.00 N ATOM 421 CA VAL A 27 5.279 -0.551 0.060 1.00 0.00 C ATOM 422 C VAL A 27 5.156 0.655 -0.850 1.00 0.00 C ATOM 423 O VAL A 27 4.533 0.579 -1.914 1.00 0.00 O ATOM 424 CB VAL A 27 6.567 -1.393 -0.231 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.894 -2.283 0.958 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.411 -2.256 -1.472 1.00 0.00 C ATOM 0 H VAL A 27 3.825 -1.714 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 27 5.411 -0.195 1.082 1.00 0.00 H new ATOM 0 HB VAL A 27 7.380 -0.688 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.791 -2.863 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.064 -1.665 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.061 -2.960 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.327 -2.824 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.577 -2.944 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.217 -1.620 -2.336 1.00 0.00 H new ATOM 436 N LEU A 28 5.740 1.752 -0.422 1.00 0.00 N ATOM 437 CA LEU A 28 5.582 3.040 -1.082 1.00 0.00 C ATOM 438 C LEU A 28 6.227 3.080 -2.468 1.00 0.00 C ATOM 439 O LEU A 28 7.414 2.748 -2.632 1.00 0.00 O ATOM 440 CB LEU A 28 6.179 4.156 -0.216 1.00 0.00 C ATOM 441 CG LEU A 28 6.028 5.607 -0.720 1.00 0.00 C ATOM 442 CD1 LEU A 28 4.584 6.084 -0.635 1.00 0.00 C ATOM 443 CD2 LEU A 28 6.942 6.534 0.062 1.00 0.00 C ATOM 0 H LEU A 28 6.344 1.781 0.400 1.00 0.00 H new ATOM 0 HA LEU A 28 4.511 3.192 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.724 4.094 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.242 3.952 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 28 6.319 5.626 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.518 7.109 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.952 5.441 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.248 6.044 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.825 7.554 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.681 6.496 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.977 6.218 -0.067 1.00 0.00 H new ATOM 455 N PRO A 29 5.445 3.447 -3.480 1.00 0.00 N ATOM 456 CA PRO A 29 5.958 3.720 -4.803 1.00 0.00 C ATOM 457 C PRO A 29 6.786 5.006 -4.753 1.00 0.00 C ATOM 458 O PRO A 29 6.245 6.101 -4.605 1.00 0.00 O ATOM 459 CB PRO A 29 4.706 3.933 -5.673 1.00 0.00 C ATOM 460 CG PRO A 29 3.541 3.570 -4.818 1.00 0.00 C ATOM 461 CD PRO A 29 4.005 3.606 -3.393 1.00 0.00 C ATOM 0 HA PRO A 29 6.592 2.922 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.636 4.968 -6.008 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.742 3.310 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.719 4.269 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.169 2.578 -5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.737 4.546 -2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.551 2.807 -2.807 1.00 0.00 H new ATOM 469 N GLU A 30 8.085 4.864 -4.855 1.00 0.00 N ATOM 470 CA GLU A 30 9.020 5.979 -4.703 1.00 0.00 C ATOM 471 C GLU A 30 8.969 6.941 -5.898 1.00 0.00 C ATOM 472 O GLU A 30 9.461 8.070 -5.832 1.00 0.00 O ATOM 473 CB GLU A 30 10.462 5.457 -4.455 1.00 0.00 C ATOM 474 CG GLU A 30 11.163 4.777 -5.651 1.00 0.00 C ATOM 475 CD GLU A 30 10.379 3.647 -6.273 1.00 0.00 C ATOM 476 OE1 GLU A 30 10.324 2.538 -5.702 1.00 0.00 O ATOM 477 OE2 GLU A 30 9.777 3.854 -7.340 1.00 0.00 O ATOM 0 H GLU A 30 8.537 3.970 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 30 8.710 6.550 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.078 6.296 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.430 4.747 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.362 5.529 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.129 4.394 -5.321 1.00 0.00 H new ATOM 484 N THR A 31 8.380 6.493 -6.976 1.00 0.00 N ATOM 485 CA THR A 31 8.258 7.294 -8.168 1.00 0.00 C ATOM 486 C THR A 31 6.761 7.636 -8.394 1.00 0.00 C ATOM 487 O THR A 31 6.364 8.208 -9.422 1.00 0.00 O ATOM 488 CB THR A 31 8.839 6.503 -9.370 1.00 0.00 C ATOM 489 OG1 THR A 31 10.097 5.924 -8.967 1.00 0.00 O ATOM 490 CG2 THR A 31 9.105 7.416 -10.564 1.00 0.00 C ATOM 0 H THR A 31 7.971 5.562 -7.053 1.00 0.00 H new ATOM 0 HA THR A 31 8.815 8.225 -8.065 1.00 0.00 H new ATOM 0 HB THR A 31 8.115 5.742 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.931 5.147 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.511 6.829 -11.388 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.173 7.885 -10.878 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.821 8.187 -10.280 1.00 0.00 H new ATOM 498 N GLY A 32 5.951 7.323 -7.400 1.00 0.00 N ATOM 499 CA GLY A 32 4.536 7.547 -7.490 1.00 0.00 C ATOM 500 C GLY A 32 3.964 7.933 -6.156 1.00 0.00 C ATOM 501 O GLY A 32 4.538 8.759 -5.449 1.00 0.00 O ATOM 0 H GLY A 32 6.259 6.911 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.335 8.334 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.044 6.644 -7.853 1.00 0.00 H new ATOM 505 N GLY A 33 2.870 7.321 -5.793 1.00 0.00 N ATOM 506 CA GLY A 33 2.230 7.610 -4.541 1.00 0.00 C ATOM 507 C GLY A 33 1.361 6.463 -4.121 1.00 0.00 C ATOM 508 O GLY A 33 0.869 5.723 -4.968 1.00 0.00 O ATOM 0 H GLY A 33 2.400 6.611 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.983 7.803 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.629 8.515 -4.633 1.00 0.00 H new ATOM 512 N GLY A 34 1.167 6.298 -2.847 1.00 0.00 N ATOM 513 CA GLY A 34 0.381 5.201 -2.360 1.00 0.00 C ATOM 514 C GLY A 34 -1.054 5.597 -2.117 1.00 0.00 C ATOM 515 O GLY A 34 -1.330 6.452 -1.259 1.00 0.00 O ATOM 0 H GLY A 34 1.543 6.910 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.414 4.383 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.816 4.827 -1.433 1.00 0.00 H new