USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=6 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 Set 1.1: A 5 ASN : amide:sc= 1.08 K(o=2.3,f=-5) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 10 GLN : amide:sc= 0 X(o=-1.8,f=-1.8) USER MOD Set 2.2: A 11 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-3!) USER MOD Single : A 1 CYS N :NH3+ -166:sc= -0.0275 (180deg=-0.157) USER MOD Single : A 6 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.14) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.23) USER MOD Single : A 21 ASN : amide:sc= -1.03! C(o=-1!,f=-12!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0675 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -0.806 7.963 -2.797 1.00 0.00 N ATOM 2 CA CYS A 1 -1.368 6.649 -2.885 1.00 0.00 C ATOM 3 C CYS A 1 -1.516 6.076 -1.474 1.00 0.00 C ATOM 4 O CYS A 1 -1.251 6.789 -0.482 1.00 0.00 O ATOM 5 CB CYS A 1 -0.435 5.785 -3.742 1.00 0.00 C ATOM 6 SG CYS A 1 -1.087 4.150 -4.206 1.00 0.00 S ATOM 0 H3 CYS A 1 -0.919 8.451 -3.709 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.354 6.671 -3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -0.196 6.333 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.500 5.643 -3.200 1.00 0.00 H new ATOM 11 N ARG A 2 -1.962 4.832 -1.373 1.00 0.00 N ATOM 12 CA ARG A 2 -2.089 4.145 -0.106 1.00 0.00 C ATOM 13 C ARG A 2 -0.727 4.109 0.591 1.00 0.00 C ATOM 14 O ARG A 2 0.311 3.966 -0.064 1.00 0.00 O ATOM 15 CB ARG A 2 -2.596 2.731 -0.346 1.00 0.00 C ATOM 16 CG ARG A 2 -3.139 2.025 0.884 1.00 0.00 C ATOM 17 CD ARG A 2 -4.344 2.773 1.444 1.00 0.00 C ATOM 18 NE ARG A 2 -5.367 3.023 0.412 1.00 0.00 N ATOM 19 CZ ARG A 2 -6.210 4.071 0.395 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.204 4.954 1.397 1.00 0.00 N ATOM 21 NH2 ARG A 2 -7.051 4.230 -0.625 1.00 0.00 N ATOM 0 H ARG A 2 -2.247 4.272 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.799 4.672 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.381 2.766 -1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.782 2.135 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.424 1.005 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.361 1.957 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.783 2.196 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.017 3.722 1.868 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.441 2.348 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.559 4.835 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.844 5.748 1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.055 3.558 -1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.691 5.024 -0.639 1.00 0.00 H new ATOM 35 N ILE A 3 -0.734 4.278 1.887 1.00 0.00 N ATOM 36 CA ILE A 3 0.489 4.329 2.650 1.00 0.00 C ATOM 37 C ILE A 3 1.021 2.925 2.973 1.00 0.00 C ATOM 38 O ILE A 3 0.243 1.959 3.025 1.00 0.00 O ATOM 39 CB ILE A 3 0.325 5.220 3.932 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.805 4.735 4.864 1.00 0.00 C ATOM 41 CG2 ILE A 3 0.092 6.664 3.541 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.397 3.688 5.874 1.00 0.00 C ATOM 0 H ILE A 3 -1.583 4.384 2.443 1.00 0.00 H new ATOM 0 HA ILE A 3 1.246 4.806 2.028 1.00 0.00 H new ATOM 0 HB ILE A 3 1.256 5.134 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.209 5.595 5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.612 4.332 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.020 7.271 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.942 7.026 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.814 6.736 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.259 3.412 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.023 2.806 5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.386 4.089 6.517 1.00 0.00 H new ATOM 69 N ASN A 5 2.762 -0.404 4.931 1.00 0.00 N ATOM 70 CA ASN A 5 2.386 -1.239 6.100 1.00 0.00 C ATOM 71 C ASN A 5 0.954 -1.759 6.006 1.00 0.00 C ATOM 72 O ASN A 5 0.624 -2.799 6.588 1.00 0.00 O ATOM 73 CB ASN A 5 2.716 -0.591 7.479 1.00 0.00 C ATOM 74 CG ASN A 5 2.324 -1.456 8.683 1.00 0.00 C ATOM 75 OD1 ASN A 5 3.089 -2.321 9.123 1.00 0.00 O ATOM 76 ND2 ASN A 5 1.178 -1.197 9.250 1.00 0.00 N ATOM 0 HA ASN A 5 3.035 -2.113 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.785 -0.384 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.203 0.368 7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.891 -1.715 10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.569 -0.477 8.863 1.00 0.00 H new ATOM 83 N GLN A 6 0.112 -1.051 5.259 1.00 0.00 N ATOM 84 CA GLN A 6 -1.230 -1.533 4.960 1.00 0.00 C ATOM 85 C GLN A 6 -1.115 -2.838 4.203 1.00 0.00 C ATOM 86 O GLN A 6 -0.186 -3.016 3.437 1.00 0.00 O ATOM 87 CB GLN A 6 -1.990 -0.534 4.083 1.00 0.00 C ATOM 88 CG GLN A 6 -2.328 0.779 4.749 1.00 0.00 C ATOM 89 CD GLN A 6 -3.248 0.606 5.929 1.00 0.00 C ATOM 90 OE1 GLN A 6 -2.803 0.447 7.069 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.525 0.610 5.675 1.00 0.00 N ATOM 0 H GLN A 6 0.336 -0.143 4.851 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.771 -1.663 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.394 -0.329 3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.915 -1.001 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.409 1.264 5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.796 1.442 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.854 0.745 4.719 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.196 0.479 6.432 1.00 0.00 H new ATOM 100 N LYS A 7 -2.011 -3.734 4.427 1.00 0.00 N ATOM 101 CA LYS A 7 -1.994 -4.985 3.720 1.00 0.00 C ATOM 102 C LYS A 7 -2.539 -4.754 2.329 1.00 0.00 C ATOM 103 O LYS A 7 -3.481 -3.977 2.154 1.00 0.00 O ATOM 104 CB LYS A 7 -2.854 -6.015 4.450 1.00 0.00 C ATOM 105 CG LYS A 7 -2.392 -6.347 5.867 1.00 0.00 C ATOM 106 CD LYS A 7 -1.095 -7.164 5.912 1.00 0.00 C ATOM 107 CE LYS A 7 -1.280 -8.552 5.301 1.00 0.00 C ATOM 108 NZ LYS A 7 -0.135 -9.451 5.579 1.00 0.00 N ATOM 0 H LYS A 7 -2.773 -3.631 5.097 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.974 -5.366 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.879 -5.646 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.871 -6.934 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.247 -5.419 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.180 -6.902 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.311 -6.631 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.763 -7.263 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.193 -9.000 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.410 -8.457 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.352 -10.407 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.713 -9.092 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.038 -9.485 6.604 1.00 0.00 H new ATOM 122 N CYS A 8 -1.943 -5.363 1.362 1.00 0.00 N ATOM 123 CA CYS A 8 -2.414 -5.255 0.009 1.00 0.00 C ATOM 124 C CYS A 8 -2.771 -6.613 -0.498 1.00 0.00 C ATOM 125 O CYS A 8 -2.024 -7.585 -0.288 1.00 0.00 O ATOM 126 CB CYS A 8 -1.372 -4.583 -0.883 1.00 0.00 C ATOM 127 SG CYS A 8 0.320 -5.223 -0.665 1.00 0.00 S ATOM 0 H CYS A 8 -1.117 -5.950 1.478 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.304 -4.626 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.665 -4.710 -1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.373 -3.512 -0.680 1.00 0.00 H new ATOM 132 N PHE A 9 -3.906 -6.718 -1.121 1.00 0.00 N ATOM 133 CA PHE A 9 -4.365 -7.983 -1.603 1.00 0.00 C ATOM 134 C PHE A 9 -4.687 -7.940 -3.083 1.00 0.00 C ATOM 135 O PHE A 9 -5.228 -6.953 -3.593 1.00 0.00 O ATOM 136 CB PHE A 9 -5.546 -8.491 -0.773 1.00 0.00 C ATOM 137 CG PHE A 9 -5.194 -8.781 0.666 1.00 0.00 C ATOM 138 CD1 PHE A 9 -4.510 -9.936 1.002 1.00 0.00 C ATOM 139 CD2 PHE A 9 -5.533 -7.897 1.676 1.00 0.00 C ATOM 140 CE1 PHE A 9 -4.176 -10.201 2.313 1.00 0.00 C ATOM 141 CE2 PHE A 9 -5.202 -8.158 2.987 1.00 0.00 C ATOM 142 CZ PHE A 9 -4.522 -9.311 3.308 1.00 0.00 C ATOM 0 H PHE A 9 -4.534 -5.936 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.550 -8.697 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.344 -7.749 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.938 -9.398 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.235 -10.638 0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.065 -6.989 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.643 -11.107 2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.476 -7.458 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.260 -9.518 4.335 1.00 0.00 H new ATOM 152 N GLN A 10 -4.377 -9.037 -3.758 1.00 0.00 N ATOM 153 CA GLN A 10 -4.508 -9.178 -5.213 1.00 0.00 C ATOM 154 C GLN A 10 -5.954 -9.032 -5.724 1.00 0.00 C ATOM 155 O GLN A 10 -6.174 -8.840 -6.919 1.00 0.00 O ATOM 156 CB GLN A 10 -3.906 -10.516 -5.672 1.00 0.00 C ATOM 157 CG GLN A 10 -4.564 -11.740 -5.059 1.00 0.00 C ATOM 158 CD GLN A 10 -3.933 -13.043 -5.501 1.00 0.00 C ATOM 159 OE1 GLN A 10 -4.336 -13.636 -6.498 1.00 0.00 O ATOM 160 NE2 GLN A 10 -2.953 -13.500 -4.774 1.00 0.00 N ATOM 0 H GLN A 10 -4.018 -9.877 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.951 -8.351 -5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.982 -10.582 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.844 -10.527 -5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.509 -11.668 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.621 -11.747 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.643 -12.982 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.496 -14.376 -5.027 1.00 0.00 H new ATOM 169 N HIS A 11 -6.921 -9.129 -4.847 1.00 0.00 N ATOM 170 CA HIS A 11 -8.314 -8.976 -5.249 1.00 0.00 C ATOM 171 C HIS A 11 -8.933 -7.724 -4.674 1.00 0.00 C ATOM 172 O HIS A 11 -10.154 -7.540 -4.719 1.00 0.00 O ATOM 173 CB HIS A 11 -9.138 -10.220 -4.903 1.00 0.00 C ATOM 174 CG HIS A 11 -8.734 -11.414 -5.705 1.00 0.00 C ATOM 175 ND1 HIS A 11 -7.821 -12.347 -5.290 1.00 0.00 N ATOM 176 CD2 HIS A 11 -9.117 -11.792 -6.939 1.00 0.00 C ATOM 177 CE1 HIS A 11 -7.674 -13.246 -6.266 1.00 0.00 C ATOM 178 NE2 HIS A 11 -8.443 -12.951 -7.297 1.00 0.00 N ATOM 0 H HIS A 11 -6.781 -9.312 -3.853 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.323 -8.868 -6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.025 -10.443 -3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.194 -10.012 -5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.837 -11.274 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -7.014 -14.100 -6.218 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -8.525 -13.467 -8.173 1.00 0.00 H new ATOM 186 N LEU A 12 -8.105 -6.850 -4.165 1.00 0.00 N ATOM 187 CA LEU A 12 -8.567 -5.589 -3.639 1.00 0.00 C ATOM 188 C LEU A 12 -7.859 -4.481 -4.400 1.00 0.00 C ATOM 189 O LEU A 12 -6.886 -4.752 -5.097 1.00 0.00 O ATOM 190 CB LEU A 12 -8.270 -5.482 -2.135 1.00 0.00 C ATOM 191 CG LEU A 12 -8.848 -6.588 -1.231 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.506 -6.309 0.208 1.00 0.00 C ATOM 193 CD2 LEU A 12 -10.355 -6.718 -1.389 1.00 0.00 C ATOM 0 H LEU A 12 -7.096 -6.989 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.647 -5.506 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.188 -5.466 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.648 -4.523 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.399 -7.533 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.919 -7.096 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.423 -6.280 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.929 -5.348 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.723 -7.508 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.832 -5.775 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.592 -6.964 -2.424 1.00 0.00 H new ATOM 205 N ASP A 13 -8.337 -3.265 -4.297 1.00 0.00 N ATOM 206 CA ASP A 13 -7.700 -2.136 -5.000 1.00 0.00 C ATOM 207 C ASP A 13 -7.138 -1.165 -3.978 1.00 0.00 C ATOM 208 O ASP A 13 -6.987 0.027 -4.236 1.00 0.00 O ATOM 209 CB ASP A 13 -8.683 -1.415 -5.969 1.00 0.00 C ATOM 210 CG ASP A 13 -9.780 -0.612 -5.292 1.00 0.00 C ATOM 211 OD1 ASP A 13 -10.867 -1.168 -5.004 1.00 0.00 O ATOM 212 OD2 ASP A 13 -9.602 0.595 -5.062 1.00 0.00 O ATOM 0 H ASP A 13 -9.156 -3.015 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.891 -2.530 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.110 -0.748 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.146 -2.162 -6.614 1.00 0.00 H new ATOM 217 N ASP A 14 -6.742 -1.732 -2.847 1.00 0.00 N ATOM 218 CA ASP A 14 -6.218 -1.010 -1.681 1.00 0.00 C ATOM 219 C ASP A 14 -5.143 -0.001 -2.046 1.00 0.00 C ATOM 220 O ASP A 14 -5.230 1.178 -1.684 1.00 0.00 O ATOM 221 CB ASP A 14 -5.704 -2.002 -0.615 1.00 0.00 C ATOM 222 CG ASP A 14 -4.922 -3.182 -1.193 1.00 0.00 C ATOM 223 OD1 ASP A 14 -3.930 -2.970 -1.918 1.00 0.00 O ATOM 224 OD2 ASP A 14 -5.343 -4.337 -0.961 1.00 0.00 O ATOM 0 H ASP A 14 -6.775 -2.741 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.048 -0.440 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.067 -1.466 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.553 -2.384 -0.049 1.00 0.00 H new ATOM 229 N CYS A 15 -4.170 -0.448 -2.744 1.00 0.00 N ATOM 230 CA CYS A 15 -3.121 0.381 -3.228 1.00 0.00 C ATOM 231 C CYS A 15 -3.244 0.556 -4.735 1.00 0.00 C ATOM 232 O CYS A 15 -3.768 -0.318 -5.419 1.00 0.00 O ATOM 233 CB CYS A 15 -1.813 -0.269 -2.897 1.00 0.00 C ATOM 234 SG CYS A 15 -1.484 -0.442 -1.134 1.00 0.00 S ATOM 0 H CYS A 15 -4.073 -1.429 -3.005 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.181 1.364 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.787 -1.257 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.009 0.313 -3.348 1.00 0.00 H new ATOM 239 N CYS A 16 -2.751 1.675 -5.242 1.00 0.00 N ATOM 240 CA CYS A 16 -2.792 2.000 -6.671 1.00 0.00 C ATOM 241 C CYS A 16 -2.051 0.940 -7.500 1.00 0.00 C ATOM 242 O CYS A 16 -2.537 0.497 -8.528 1.00 0.00 O ATOM 243 CB CYS A 16 -2.120 3.348 -6.907 1.00 0.00 C ATOM 244 SG CYS A 16 -2.465 4.582 -5.630 1.00 0.00 S ATOM 0 H CYS A 16 -2.305 2.394 -4.673 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.837 2.030 -6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.042 3.198 -6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.444 3.739 -7.871 1.00 0.00 H new ATOM 249 N SER A 17 -0.865 0.556 -7.043 1.00 0.00 N ATOM 250 CA SER A 17 -0.051 -0.423 -7.748 1.00 0.00 C ATOM 251 C SER A 17 -0.023 -1.753 -6.992 1.00 0.00 C ATOM 252 O SER A 17 0.314 -2.799 -7.562 1.00 0.00 O ATOM 253 CB SER A 17 1.380 0.127 -7.909 1.00 0.00 C ATOM 254 OG SER A 17 2.238 -0.789 -8.557 1.00 0.00 O ATOM 0 H SER A 17 -0.445 0.910 -6.183 1.00 0.00 H new ATOM 0 HA SER A 17 -0.487 -0.603 -8.731 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.348 1.056 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.786 0.369 -6.927 1.00 0.00 H new ATOM 0 HG SER A 17 3.133 -0.398 -8.638 1.00 0.00 H new ATOM 260 N ARG A 18 -0.435 -1.709 -5.720 1.00 0.00 N ATOM 261 CA ARG A 18 -0.355 -2.859 -4.813 1.00 0.00 C ATOM 262 C ARG A 18 1.023 -3.490 -4.836 1.00 0.00 C ATOM 263 O ARG A 18 1.165 -4.691 -5.069 1.00 0.00 O ATOM 264 CB ARG A 18 -1.426 -3.881 -5.134 1.00 0.00 C ATOM 265 CG ARG A 18 -2.815 -3.315 -5.068 1.00 0.00 C ATOM 266 CD ARG A 18 -3.822 -4.316 -5.505 1.00 0.00 C ATOM 267 NE ARG A 18 -3.543 -4.826 -6.858 1.00 0.00 N ATOM 268 CZ ARG A 18 -4.261 -5.747 -7.479 1.00 0.00 C ATOM 269 NH1 ARG A 18 -5.458 -6.054 -7.023 1.00 0.00 N ATOM 270 NH2 ARG A 18 -3.817 -6.289 -8.612 1.00 0.00 N ATOM 0 H ARG A 18 -0.834 -0.874 -5.290 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.531 -2.492 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.250 -4.282 -6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.346 -4.715 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.033 -2.996 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.880 -2.429 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.836 -5.147 -4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.814 -3.865 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.738 -4.441 -7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.825 -5.583 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.018 -6.763 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.922 -5.994 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.372 -6.999 -9.089 1.00 0.00 H new ATOM 284 N LYS A 19 2.041 -2.671 -4.662 1.00 0.00 N ATOM 285 CA LYS A 19 3.377 -3.180 -4.590 1.00 0.00 C ATOM 286 C LYS A 19 3.517 -3.808 -3.218 1.00 0.00 C ATOM 287 O LYS A 19 3.631 -3.116 -2.213 1.00 0.00 O ATOM 288 CB LYS A 19 4.408 -2.058 -4.826 1.00 0.00 C ATOM 289 CG LYS A 19 5.858 -2.525 -4.832 1.00 0.00 C ATOM 290 CD LYS A 19 6.824 -1.381 -5.125 1.00 0.00 C ATOM 291 CE LYS A 19 8.265 -1.862 -5.061 1.00 0.00 C ATOM 292 NZ LYS A 19 9.251 -0.792 -5.365 1.00 0.00 N ATOM 0 H LYS A 19 1.960 -1.658 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 19 3.568 -3.920 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.190 -1.576 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.286 -1.301 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.101 -2.967 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.984 -3.307 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.617 -0.968 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.672 -0.577 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.465 -2.260 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.399 -2.683 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.215 -1.176 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.094 -0.439 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.135 -0.011 -4.688 1.00 0.00 H new ATOM 306 N CYS A 20 3.416 -5.098 -3.182 1.00 0.00 N ATOM 307 CA CYS A 20 3.395 -5.811 -1.948 1.00 0.00 C ATOM 308 C CYS A 20 4.751 -6.324 -1.604 1.00 0.00 C ATOM 309 O CYS A 20 5.444 -6.922 -2.445 1.00 0.00 O ATOM 310 CB CYS A 20 2.378 -6.953 -2.008 1.00 0.00 C ATOM 311 SG CYS A 20 0.660 -6.398 -2.277 1.00 0.00 S ATOM 0 H CYS A 20 3.346 -5.688 -4.011 1.00 0.00 H new ATOM 0 HA CYS A 20 3.091 -5.121 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.659 -7.635 -2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.426 -7.518 -1.077 1.00 0.00 H new ATOM 316 N ASN A 21 5.154 -6.066 -0.398 1.00 0.00 N ATOM 317 CA ASN A 21 6.404 -6.546 0.101 1.00 0.00 C ATOM 318 C ASN A 21 6.255 -7.998 0.529 1.00 0.00 C ATOM 319 O ASN A 21 5.177 -8.604 0.389 1.00 0.00 O ATOM 320 CB ASN A 21 6.957 -5.657 1.264 1.00 0.00 C ATOM 321 CG ASN A 21 6.104 -5.622 2.541 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.404 -6.577 2.889 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.173 -4.530 3.251 1.00 0.00 N ATOM 0 H ASN A 21 4.620 -5.512 0.272 1.00 0.00 H new ATOM 0 HA ASN A 21 7.140 -6.486 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.954 -6.012 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.068 -4.637 0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.640 -4.450 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.760 -3.756 2.940 1.00 0.00 H new ATOM 330 N ARG A 22 7.299 -8.529 1.079 1.00 0.00 N ATOM 331 CA ARG A 22 7.369 -9.935 1.487 1.00 0.00 C ATOM 332 C ARG A 22 6.437 -10.306 2.667 1.00 0.00 C ATOM 333 O ARG A 22 6.359 -11.465 3.061 1.00 0.00 O ATOM 334 CB ARG A 22 8.813 -10.299 1.778 1.00 0.00 C ATOM 335 CG ARG A 22 9.454 -9.488 2.892 1.00 0.00 C ATOM 336 CD ARG A 22 10.939 -9.744 2.941 1.00 0.00 C ATOM 337 NE ARG A 22 11.232 -11.164 3.064 1.00 0.00 N ATOM 338 CZ ARG A 22 12.305 -11.774 2.573 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.232 -11.078 1.907 1.00 0.00 N ATOM 340 NH2 ARG A 22 12.448 -13.082 2.742 1.00 0.00 N ATOM 0 H ARG A 22 8.154 -8.006 1.270 1.00 0.00 H new ATOM 0 HA ARG A 22 6.996 -10.528 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.863 -11.356 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.398 -10.169 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.267 -8.426 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.002 -9.751 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.407 -9.352 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.374 -9.207 3.784 1.00 0.00 H new ATOM 0 HE ARG A 22 10.557 -11.739 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.117 -10.073 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.054 -11.552 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.737 -13.612 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.269 -13.558 2.368 1.00 0.00 H new ATOM 354 N PHE A 23 5.739 -9.334 3.211 1.00 0.00 N ATOM 355 CA PHE A 23 4.797 -9.573 4.293 1.00 0.00 C ATOM 356 C PHE A 23 3.388 -9.249 3.824 1.00 0.00 C ATOM 357 O PHE A 23 2.456 -9.133 4.632 1.00 0.00 O ATOM 358 CB PHE A 23 5.151 -8.710 5.512 1.00 0.00 C ATOM 359 CG PHE A 23 6.512 -8.998 6.058 1.00 0.00 C ATOM 360 CD1 PHE A 23 6.754 -10.177 6.731 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.548 -8.100 5.891 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.000 -10.462 7.226 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.802 -8.378 6.387 1.00 0.00 C ATOM 364 CZ PHE A 23 9.030 -9.562 7.055 1.00 0.00 C ATOM 0 H PHE A 23 5.804 -8.358 2.921 1.00 0.00 H new ATOM 0 HA PHE A 23 4.851 -10.623 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.093 -7.658 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.410 -8.875 6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.951 -10.886 6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.373 -7.172 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.175 -11.390 7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.606 -7.669 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.013 -9.784 7.443 1.00 0.00 H new ATOM 374 N ASN A 24 3.243 -9.080 2.500 1.00 0.00 N ATOM 375 CA ASN A 24 1.957 -8.720 1.861 1.00 0.00 C ATOM 376 C ASN A 24 1.492 -7.357 2.315 1.00 0.00 C ATOM 377 O ASN A 24 0.305 -7.023 2.268 1.00 0.00 O ATOM 378 CB ASN A 24 0.866 -9.795 2.065 1.00 0.00 C ATOM 379 CG ASN A 24 1.057 -11.007 1.169 1.00 0.00 C ATOM 380 OD1 ASN A 24 1.779 -11.951 1.516 1.00 0.00 O ATOM 381 ND2 ASN A 24 0.417 -11.002 0.023 1.00 0.00 N ATOM 0 H ASN A 24 4.011 -9.188 1.838 1.00 0.00 H new ATOM 0 HA ASN A 24 2.138 -8.675 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.869 -10.115 3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.112 -9.355 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.506 -11.793 -0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.169 -10.207 -0.230 1.00 0.00 H new ATOM 388 N LYS A 25 2.442 -6.568 2.748 1.00 0.00 N ATOM 389 CA LYS A 25 2.196 -5.225 3.106 1.00 0.00 C ATOM 390 C LYS A 25 2.548 -4.364 1.944 1.00 0.00 C ATOM 391 O LYS A 25 3.458 -4.678 1.178 1.00 0.00 O ATOM 392 CB LYS A 25 2.968 -4.819 4.336 1.00 0.00 C ATOM 393 CG LYS A 25 2.506 -5.517 5.586 1.00 0.00 C ATOM 394 CD LYS A 25 3.226 -4.973 6.778 1.00 0.00 C ATOM 395 CE LYS A 25 2.740 -5.618 8.054 1.00 0.00 C ATOM 396 NZ LYS A 25 3.376 -5.032 9.245 1.00 0.00 N ATOM 0 H LYS A 25 3.414 -6.859 2.857 1.00 0.00 H new ATOM 0 HA LYS A 25 1.142 -5.106 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.026 -5.032 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.876 -3.742 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.431 -5.384 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.687 -6.589 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.297 -5.143 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.078 -3.895 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.658 -5.505 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.947 -6.688 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.919 -5.405 10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.386 -5.279 9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.273 -3.997 9.220 1.00 0.00 H new ATOM 410 N CYS A 26 1.839 -3.338 1.797 1.00 0.00 N ATOM 411 CA CYS A 26 1.969 -2.477 0.691 1.00 0.00 C ATOM 412 C CYS A 26 3.058 -1.478 0.931 1.00 0.00 C ATOM 413 O CYS A 26 3.302 -1.062 2.076 1.00 0.00 O ATOM 414 CB CYS A 26 0.647 -1.757 0.487 1.00 0.00 C ATOM 415 SG CYS A 26 0.496 -0.814 -1.057 1.00 0.00 S ATOM 0 H CYS A 26 1.120 -3.052 2.462 1.00 0.00 H new ATOM 0 HA CYS A 26 2.226 -3.056 -0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.156 -2.493 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.492 -1.076 1.324 1.00 0.00 H new ATOM 420 N VAL A 27 3.751 -1.172 -0.111 1.00 0.00 N ATOM 421 CA VAL A 27 4.683 -0.104 -0.145 1.00 0.00 C ATOM 422 C VAL A 27 4.284 0.778 -1.308 1.00 0.00 C ATOM 423 O VAL A 27 3.877 0.261 -2.370 1.00 0.00 O ATOM 424 CB VAL A 27 6.187 -0.568 -0.222 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.641 -1.113 1.124 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.397 -1.642 -1.284 1.00 0.00 C ATOM 0 H VAL A 27 3.680 -1.678 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 27 4.643 0.447 0.795 1.00 0.00 H new ATOM 0 HB VAL A 27 6.778 0.307 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.682 -1.430 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.547 -0.335 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.020 -1.965 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.447 -1.934 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.783 -2.512 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.111 -1.250 -2.260 1.00 0.00 H new ATOM 436 N LEU A 28 4.305 2.080 -1.089 1.00 0.00 N ATOM 437 CA LEU A 28 3.845 3.047 -2.078 1.00 0.00 C ATOM 438 C LEU A 28 4.575 2.894 -3.422 1.00 0.00 C ATOM 439 O LEU A 28 5.749 2.485 -3.459 1.00 0.00 O ATOM 440 CB LEU A 28 3.956 4.514 -1.561 1.00 0.00 C ATOM 441 CG LEU A 28 5.342 5.206 -1.581 1.00 0.00 C ATOM 442 CD1 LEU A 28 5.204 6.643 -1.129 1.00 0.00 C ATOM 443 CD2 LEU A 28 6.364 4.489 -0.715 1.00 0.00 C ATOM 0 H LEU A 28 4.641 2.500 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 28 2.790 2.829 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.273 5.125 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.593 4.531 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 28 5.707 5.169 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.182 7.125 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.528 7.172 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.803 6.669 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.317 5.016 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.015 4.468 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.494 3.468 -1.075 1.00 0.00 H new ATOM 455 N PRO A 29 3.869 3.181 -4.543 1.00 0.00 N ATOM 456 CA PRO A 29 4.443 3.131 -5.887 1.00 0.00 C ATOM 457 C PRO A 29 5.743 3.923 -5.965 1.00 0.00 C ATOM 458 O PRO A 29 5.832 5.058 -5.461 1.00 0.00 O ATOM 459 CB PRO A 29 3.372 3.797 -6.755 1.00 0.00 C ATOM 460 CG PRO A 29 2.104 3.558 -6.032 1.00 0.00 C ATOM 461 CD PRO A 29 2.451 3.566 -4.572 1.00 0.00 C ATOM 0 HA PRO A 29 4.689 2.115 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.565 4.863 -6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.346 3.364 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.372 4.332 -6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.663 2.605 -6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.295 4.550 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.835 2.863 -4.011 1.00 0.00 H new ATOM 469 N GLU A 30 6.720 3.351 -6.619 1.00 0.00 N ATOM 470 CA GLU A 30 8.053 3.925 -6.718 1.00 0.00 C ATOM 471 C GLU A 30 8.098 5.179 -7.599 1.00 0.00 C ATOM 472 O GLU A 30 9.104 5.889 -7.642 1.00 0.00 O ATOM 473 CB GLU A 30 9.062 2.861 -7.146 1.00 0.00 C ATOM 474 CG GLU A 30 8.614 2.022 -8.324 1.00 0.00 C ATOM 475 CD GLU A 30 9.577 0.925 -8.630 1.00 0.00 C ATOM 476 OE1 GLU A 30 9.507 -0.156 -7.986 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.422 1.104 -9.521 1.00 0.00 O ATOM 0 H GLU A 30 6.619 2.461 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 30 8.339 4.270 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.003 3.349 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.261 2.203 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.634 1.595 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.501 2.660 -9.201 1.00 0.00 H new ATOM 484 N THR A 31 7.012 5.440 -8.289 1.00 0.00 N ATOM 485 CA THR A 31 6.850 6.650 -9.039 1.00 0.00 C ATOM 486 C THR A 31 6.509 7.808 -8.098 1.00 0.00 C ATOM 487 O THR A 31 6.903 8.951 -8.322 1.00 0.00 O ATOM 488 CB THR A 31 5.755 6.473 -10.085 1.00 0.00 C ATOM 489 OG1 THR A 31 4.659 5.820 -9.469 1.00 0.00 O ATOM 490 CG2 THR A 31 6.245 5.662 -11.275 1.00 0.00 C ATOM 0 H THR A 31 6.213 4.809 -8.342 1.00 0.00 H new ATOM 0 HA THR A 31 7.785 6.880 -9.550 1.00 0.00 H new ATOM 0 HB THR A 31 5.458 7.451 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.941 5.697 -10.124 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.438 5.556 -12.000 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.087 6.173 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.561 4.675 -10.937 1.00 0.00 H new ATOM 498 N GLY A 32 5.836 7.484 -7.007 1.00 0.00 N ATOM 499 CA GLY A 32 5.435 8.482 -6.043 1.00 0.00 C ATOM 500 C GLY A 32 4.000 8.894 -6.237 1.00 0.00 C ATOM 501 O GLY A 32 3.376 8.521 -7.233 1.00 0.00 O ATOM 0 H GLY A 32 5.557 6.532 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.568 8.089 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.080 9.356 -6.133 1.00 0.00 H new ATOM 505 N GLY A 33 3.465 9.605 -5.284 1.00 0.00 N ATOM 506 CA GLY A 33 2.132 10.102 -5.399 1.00 0.00 C ATOM 507 C GLY A 33 1.346 9.911 -4.135 1.00 0.00 C ATOM 508 O GLY A 33 1.818 9.263 -3.177 1.00 0.00 O ATOM 0 H GLY A 33 3.939 9.852 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.162 11.162 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.626 9.594 -6.220 1.00 0.00 H new ATOM 512 N GLY A 34 0.155 10.452 -4.117 1.00 0.00 N ATOM 513 CA GLY A 34 -0.720 10.318 -2.982 1.00 0.00 C ATOM 514 C GLY A 34 -1.485 9.029 -3.067 1.00 0.00 C ATOM 515 O GLY A 34 -2.670 9.009 -3.402 1.00 0.00 O ATOM 0 H GLY A 34 -0.234 10.996 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.139 10.344 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.413 11.159 -2.946 1.00 0.00 H new