USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, 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 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 10 GLN : amide:sc= -0.224 X(o=-0.03,f=-0.34) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.194 X(o=-0.03,f=-0.24) USER MOD Single : A 1 CYS N :NH3+ -145:sc= -0.0213 (180deg=-0.309) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.63) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 1 (180deg=0.918) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 159:sc= 1.16 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.532 K(o=-0.53,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0782 (180deg=-0.445) USER MOD Single : A 31 THR OG1 : rot 77:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -2.313 6.577 -2.437 1.00 0.00 N ATOM 2 CA CYS A 1 -2.357 5.157 -2.238 1.00 0.00 C ATOM 3 C CYS A 1 -2.825 4.822 -0.849 1.00 0.00 C ATOM 4 O CYS A 1 -2.943 5.702 0.021 1.00 0.00 O ATOM 5 CB CYS A 1 -0.947 4.593 -2.391 1.00 0.00 C ATOM 6 SG CYS A 1 -0.060 5.109 -3.896 1.00 0.00 S ATOM 0 H3 CYS A 1 -2.576 6.798 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 1 -3.044 4.732 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -0.359 4.890 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.006 3.505 -2.379 1.00 0.00 H new ATOM 11 N ARG A 2 -3.107 3.561 -0.640 1.00 0.00 N ATOM 12 CA ARG A 2 -3.356 3.069 0.685 1.00 0.00 C ATOM 13 C ARG A 2 -2.013 3.115 1.420 1.00 0.00 C ATOM 14 O ARG A 2 -0.991 2.768 0.825 1.00 0.00 O ATOM 15 CB ARG A 2 -3.880 1.640 0.598 1.00 0.00 C ATOM 16 CG ARG A 2 -4.360 1.041 1.910 1.00 0.00 C ATOM 17 CD ARG A 2 -5.451 1.891 2.557 1.00 0.00 C ATOM 18 NE ARG A 2 -6.543 2.210 1.628 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.665 2.862 1.943 1.00 0.00 C ATOM 20 NH1 ARG A 2 -7.941 3.191 3.201 1.00 0.00 N ATOM 21 NH2 ARG A 2 -8.520 3.160 0.986 1.00 0.00 N ATOM 0 H ARG A 2 -3.169 2.857 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.101 3.664 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.703 1.616 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.090 1.005 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.741 0.035 1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.518 0.947 2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.856 1.361 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.013 2.817 2.929 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.435 1.908 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.290 2.945 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.804 3.689 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.320 2.893 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.382 3.658 1.209 1.00 0.00 H new ATOM 35 N ILE A 3 -2.003 3.598 2.665 1.00 0.00 N ATOM 36 CA ILE A 3 -0.748 3.758 3.412 1.00 0.00 C ATOM 37 C ILE A 3 0.096 2.459 3.484 1.00 0.00 C ATOM 38 O ILE A 3 -0.438 1.362 3.696 1.00 0.00 O ATOM 39 CB ILE A 3 -0.926 4.419 4.813 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.876 3.619 5.709 1.00 0.00 C ATOM 41 CG2 ILE A 3 -1.385 5.863 4.663 1.00 0.00 C ATOM 42 CD1 ILE A 3 -2.069 4.209 7.095 1.00 0.00 C ATOM 0 H ILE A 3 -2.839 3.883 3.175 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.172 4.468 2.819 1.00 0.00 H new ATOM 0 HB ILE A 3 0.045 4.416 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.847 3.548 5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.494 2.603 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.505 6.311 5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.641 6.424 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.338 5.889 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.755 3.583 7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.108 4.255 7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.482 5.214 7.008 1.00 0.00 H new ATOM 69 N ASN A 5 1.985 0.660 5.409 1.00 0.00 N ATOM 70 CA ASN A 5 2.039 -0.363 6.454 1.00 0.00 C ATOM 71 C ASN A 5 0.765 -1.197 6.555 1.00 0.00 C ATOM 72 O ASN A 5 0.620 -2.025 7.464 1.00 0.00 O ATOM 73 CB ASN A 5 2.464 0.224 7.811 1.00 0.00 C ATOM 74 CG ASN A 5 3.934 0.650 7.829 1.00 0.00 C ATOM 75 OD1 ASN A 5 4.818 -0.137 8.170 1.00 0.00 O ATOM 76 ND2 ASN A 5 4.206 1.880 7.472 1.00 0.00 N ATOM 0 HA ASN A 5 2.818 -1.062 6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.837 1.084 8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.294 -0.516 8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.171 2.209 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.452 2.509 7.194 1.00 0.00 H new ATOM 83 N GLN A 6 -0.142 -1.014 5.611 1.00 0.00 N ATOM 84 CA GLN A 6 -1.368 -1.796 5.571 1.00 0.00 C ATOM 85 C GLN A 6 -1.123 -3.135 4.882 1.00 0.00 C ATOM 86 O GLN A 6 -0.228 -3.253 4.023 1.00 0.00 O ATOM 87 CB GLN A 6 -2.482 -1.053 4.833 1.00 0.00 C ATOM 88 CG GLN A 6 -2.950 0.223 5.496 1.00 0.00 C ATOM 89 CD GLN A 6 -3.596 -0.004 6.843 1.00 0.00 C ATOM 90 OE1 GLN A 6 -4.191 -1.042 7.097 1.00 0.00 O ATOM 91 NE2 GLN A 6 -3.488 0.963 7.712 1.00 0.00 N ATOM 0 H GLN A 6 -0.053 -0.330 4.860 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.680 -1.962 6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.135 -0.816 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.335 -1.723 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.100 0.894 5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.661 0.725 4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.984 1.815 7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.907 0.867 8.637 1.00 0.00 H new ATOM 100 N LYS A 7 -1.907 -4.127 5.258 1.00 0.00 N ATOM 101 CA LYS A 7 -1.833 -5.457 4.672 1.00 0.00 C ATOM 102 C LYS A 7 -2.590 -5.499 3.362 1.00 0.00 C ATOM 103 O LYS A 7 -3.781 -5.187 3.311 1.00 0.00 O ATOM 104 CB LYS A 7 -2.434 -6.500 5.620 1.00 0.00 C ATOM 105 CG LYS A 7 -1.691 -6.678 6.940 1.00 0.00 C ATOM 106 CD LYS A 7 -0.324 -7.345 6.778 1.00 0.00 C ATOM 107 CE LYS A 7 -0.456 -8.774 6.266 1.00 0.00 C ATOM 108 NZ LYS A 7 0.823 -9.510 6.337 1.00 0.00 N ATOM 0 H LYS A 7 -2.619 -4.035 5.983 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.782 -5.686 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.465 -6.221 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.465 -7.461 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.559 -5.703 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.302 -7.277 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.285 -6.764 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.196 -7.347 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.210 -9.300 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.808 -8.758 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.718 -10.434 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.566 -8.963 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.087 -9.652 7.333 1.00 0.00 H new ATOM 122 N CYS A 8 -1.916 -5.858 2.328 1.00 0.00 N ATOM 123 CA CYS A 8 -2.516 -6.001 1.026 1.00 0.00 C ATOM 124 C CYS A 8 -2.139 -7.354 0.478 1.00 0.00 C ATOM 125 O CYS A 8 -1.130 -7.934 0.893 1.00 0.00 O ATOM 126 CB CYS A 8 -2.049 -4.892 0.094 1.00 0.00 C ATOM 127 SG CYS A 8 -0.254 -4.810 -0.110 1.00 0.00 S ATOM 0 H CYS A 8 -0.918 -6.066 2.350 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.600 -5.924 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.509 -5.035 -0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.405 -3.936 0.477 1.00 0.00 H new ATOM 132 N PHE A 9 -2.921 -7.874 -0.411 1.00 0.00 N ATOM 133 CA PHE A 9 -2.684 -9.185 -0.926 1.00 0.00 C ATOM 134 C PHE A 9 -2.525 -9.164 -2.437 1.00 0.00 C ATOM 135 O PHE A 9 -2.487 -8.093 -3.046 1.00 0.00 O ATOM 136 CB PHE A 9 -3.782 -10.141 -0.445 1.00 0.00 C ATOM 137 CG PHE A 9 -3.715 -10.406 1.044 1.00 0.00 C ATOM 138 CD1 PHE A 9 -2.918 -11.426 1.538 1.00 0.00 C ATOM 139 CD2 PHE A 9 -4.423 -9.621 1.948 1.00 0.00 C ATOM 140 CE1 PHE A 9 -2.829 -11.662 2.896 1.00 0.00 C ATOM 141 CE2 PHE A 9 -4.333 -9.853 3.306 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.537 -10.874 3.781 1.00 0.00 C ATOM 0 H PHE A 9 -3.739 -7.405 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.738 -9.560 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.757 -9.721 -0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.697 -11.086 -0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.359 -12.045 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.050 -8.821 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.206 -12.463 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.886 -9.234 3.997 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.468 -11.057 4.843 1.00 0.00 H new ATOM 152 N GLN A 10 -2.417 -10.331 -3.039 1.00 0.00 N ATOM 153 CA GLN A 10 -2.160 -10.428 -4.466 1.00 0.00 C ATOM 154 C GLN A 10 -3.333 -9.978 -5.310 1.00 0.00 C ATOM 155 O GLN A 10 -3.146 -9.309 -6.327 1.00 0.00 O ATOM 156 CB GLN A 10 -1.675 -11.831 -4.890 1.00 0.00 C ATOM 157 CG GLN A 10 -0.224 -12.165 -4.505 1.00 0.00 C ATOM 158 CD GLN A 10 0.035 -12.221 -3.010 1.00 0.00 C ATOM 159 OE1 GLN A 10 0.360 -11.213 -2.379 1.00 0.00 O ATOM 160 NE2 GLN A 10 -0.080 -13.384 -2.442 1.00 0.00 N ATOM 0 H GLN A 10 -2.503 -11.229 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.344 -9.731 -4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.333 -12.576 -4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.778 -11.922 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.042 -13.127 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.437 -11.419 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.351 -14.197 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.101 -13.484 -1.443 1.00 0.00 H new ATOM 169 N HIS A 11 -4.533 -10.320 -4.908 1.00 0.00 N ATOM 170 CA HIS A 11 -5.697 -9.939 -5.696 1.00 0.00 C ATOM 171 C HIS A 11 -6.460 -8.796 -5.039 1.00 0.00 C ATOM 172 O HIS A 11 -7.210 -8.067 -5.704 1.00 0.00 O ATOM 173 CB HIS A 11 -6.619 -11.141 -5.939 1.00 0.00 C ATOM 174 CG HIS A 11 -5.951 -12.303 -6.631 1.00 0.00 C ATOM 175 ND1 HIS A 11 -5.709 -13.521 -6.031 1.00 0.00 N ATOM 176 CD2 HIS A 11 -5.478 -12.416 -7.894 1.00 0.00 C ATOM 177 CE1 HIS A 11 -5.108 -14.312 -6.918 1.00 0.00 C ATOM 178 NE2 HIS A 11 -4.945 -13.689 -8.070 1.00 0.00 N ATOM 0 H HIS A 11 -4.735 -10.850 -4.060 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.337 -9.589 -6.664 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.014 -11.481 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -7.470 -10.817 -6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -5.509 -11.641 -8.646 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.796 -15.327 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.516 -14.064 -8.916 1.00 0.00 H new ATOM 186 N LEU A 12 -6.267 -8.630 -3.744 1.00 0.00 N ATOM 187 CA LEU A 12 -6.941 -7.580 -2.997 1.00 0.00 C ATOM 188 C LEU A 12 -5.933 -6.571 -2.496 1.00 0.00 C ATOM 189 O LEU A 12 -5.199 -6.844 -1.544 1.00 0.00 O ATOM 190 CB LEU A 12 -7.752 -8.121 -1.786 1.00 0.00 C ATOM 191 CG LEU A 12 -8.979 -9.022 -2.055 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.582 -10.392 -2.572 1.00 0.00 C ATOM 193 CD2 LEU A 12 -9.821 -9.152 -0.797 1.00 0.00 C ATOM 0 H LEU A 12 -5.645 -9.212 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.645 -7.115 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.064 -8.680 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.093 -7.263 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.571 -8.543 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.477 -10.989 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.031 -10.283 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.952 -10.890 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.682 -9.789 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.221 -9.595 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.165 -8.166 -0.486 1.00 0.00 H new ATOM 205 N ASP A 13 -5.870 -5.439 -3.139 1.00 0.00 N ATOM 206 CA ASP A 13 -4.985 -4.374 -2.728 1.00 0.00 C ATOM 207 C ASP A 13 -5.624 -3.050 -3.091 1.00 0.00 C ATOM 208 O ASP A 13 -6.575 -3.006 -3.891 1.00 0.00 O ATOM 209 CB ASP A 13 -3.590 -4.474 -3.391 1.00 0.00 C ATOM 210 CG ASP A 13 -3.557 -4.000 -4.832 1.00 0.00 C ATOM 211 OD1 ASP A 13 -3.336 -2.785 -5.056 1.00 0.00 O ATOM 212 OD2 ASP A 13 -3.760 -4.821 -5.759 1.00 0.00 O ATOM 0 H ASP A 13 -6.429 -5.224 -3.964 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.834 -4.456 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.880 -3.886 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.254 -5.510 -3.352 1.00 0.00 H new ATOM 217 N ASP A 14 -5.136 -2.001 -2.496 1.00 0.00 N ATOM 218 CA ASP A 14 -5.604 -0.647 -2.744 1.00 0.00 C ATOM 219 C ASP A 14 -4.362 0.220 -2.938 1.00 0.00 C ATOM 220 O ASP A 14 -4.324 1.418 -2.641 1.00 0.00 O ATOM 221 CB ASP A 14 -6.440 -0.187 -1.538 1.00 0.00 C ATOM 222 CG ASP A 14 -7.178 1.115 -1.741 1.00 0.00 C ATOM 223 OD1 ASP A 14 -8.166 1.140 -2.510 1.00 0.00 O ATOM 224 OD2 ASP A 14 -6.851 2.111 -1.091 1.00 0.00 O ATOM 0 H ASP A 14 -4.385 -2.052 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.237 -0.578 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.164 -0.965 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.782 -0.085 -0.675 1.00 0.00 H new ATOM 229 N CYS A 15 -3.348 -0.405 -3.474 1.00 0.00 N ATOM 230 CA CYS A 15 -2.077 0.227 -3.678 1.00 0.00 C ATOM 231 C CYS A 15 -2.010 0.745 -5.098 1.00 0.00 C ATOM 232 O CYS A 15 -2.448 0.063 -6.024 1.00 0.00 O ATOM 233 CB CYS A 15 -0.962 -0.789 -3.435 1.00 0.00 C ATOM 234 SG CYS A 15 -1.029 -1.582 -1.800 1.00 0.00 S ATOM 0 H CYS A 15 -3.384 -1.376 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.955 1.058 -2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.013 -1.560 -4.204 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.001 -0.290 -3.547 1.00 0.00 H new ATOM 239 N CYS A 16 -1.460 1.938 -5.283 1.00 0.00 N ATOM 240 CA CYS A 16 -1.373 2.541 -6.616 1.00 0.00 C ATOM 241 C CYS A 16 -0.554 1.659 -7.553 1.00 0.00 C ATOM 242 O CYS A 16 -0.876 1.494 -8.719 1.00 0.00 O ATOM 243 CB CYS A 16 -0.718 3.912 -6.550 1.00 0.00 C ATOM 244 SG CYS A 16 -1.459 5.033 -5.348 1.00 0.00 S ATOM 0 H CYS A 16 -1.068 2.509 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.390 2.640 -6.995 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.337 3.786 -6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.767 4.373 -7.537 1.00 0.00 H new ATOM 249 N SER A 17 0.484 1.073 -7.004 1.00 0.00 N ATOM 250 CA SER A 17 1.395 0.234 -7.726 1.00 0.00 C ATOM 251 C SER A 17 0.901 -1.218 -7.790 1.00 0.00 C ATOM 252 O SER A 17 1.439 -2.028 -8.545 1.00 0.00 O ATOM 253 CB SER A 17 2.707 0.312 -6.980 1.00 0.00 C ATOM 254 OG SER A 17 2.438 0.266 -5.571 1.00 0.00 O ATOM 0 H SER A 17 0.719 1.173 -6.017 1.00 0.00 H new ATOM 0 HA SER A 17 1.491 0.568 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.355 -0.515 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.232 1.232 -7.235 1.00 0.00 H new ATOM 0 HG SER A 17 3.243 -0.023 -5.093 1.00 0.00 H new ATOM 260 N ARG A 18 -0.154 -1.523 -7.003 1.00 0.00 N ATOM 261 CA ARG A 18 -0.713 -2.891 -6.833 1.00 0.00 C ATOM 262 C ARG A 18 0.325 -3.834 -6.220 1.00 0.00 C ATOM 263 O ARG A 18 0.178 -5.060 -6.247 1.00 0.00 O ATOM 264 CB ARG A 18 -1.265 -3.505 -8.157 1.00 0.00 C ATOM 265 CG ARG A 18 -2.468 -2.791 -8.784 1.00 0.00 C ATOM 266 CD ARG A 18 -2.079 -1.513 -9.510 1.00 0.00 C ATOM 267 NE ARG A 18 -1.193 -1.787 -10.657 1.00 0.00 N ATOM 268 CZ ARG A 18 -0.689 -0.871 -11.494 1.00 0.00 C ATOM 269 NH1 ARG A 18 -0.852 0.424 -11.260 1.00 0.00 N ATOM 270 NH2 ARG A 18 0.013 -1.261 -12.542 1.00 0.00 N ATOM 0 H ARG A 18 -0.652 -0.819 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.559 -2.782 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.458 -3.523 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.544 -4.541 -7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.961 -3.466 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.192 -2.555 -8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.978 -1.004 -9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.578 -0.838 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.942 -2.761 -10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.366 0.732 -10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.463 1.112 -11.905 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.169 -2.255 -12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.400 -0.568 -13.183 1.00 0.00 H new ATOM 284 N LYS A 19 1.344 -3.262 -5.623 1.00 0.00 N ATOM 285 CA LYS A 19 2.452 -4.027 -5.123 1.00 0.00 C ATOM 286 C LYS A 19 2.428 -4.150 -3.635 1.00 0.00 C ATOM 287 O LYS A 19 2.111 -3.205 -2.911 1.00 0.00 O ATOM 288 CB LYS A 19 3.772 -3.411 -5.552 1.00 0.00 C ATOM 289 CG LYS A 19 3.999 -3.414 -7.036 1.00 0.00 C ATOM 290 CD LYS A 19 5.192 -2.558 -7.393 1.00 0.00 C ATOM 291 CE LYS A 19 5.371 -2.438 -8.889 1.00 0.00 C ATOM 292 NZ LYS A 19 6.423 -1.463 -9.236 1.00 0.00 N ATOM 0 H LYS A 19 1.424 -2.256 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 19 2.357 -5.025 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.815 -2.383 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.586 -3.952 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.160 -4.435 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.111 -3.041 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.069 -1.565 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.092 -2.987 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.627 -3.413 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.429 -2.135 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.517 -1.408 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.167 -0.527 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.327 -1.766 -8.822 1.00 0.00 H new ATOM 306 N CYS A 20 2.782 -5.299 -3.204 1.00 0.00 N ATOM 307 CA CYS A 20 2.906 -5.625 -1.817 1.00 0.00 C ATOM 308 C CYS A 20 4.248 -6.295 -1.654 1.00 0.00 C ATOM 309 O CYS A 20 4.724 -6.926 -2.600 1.00 0.00 O ATOM 310 CB CYS A 20 1.792 -6.583 -1.401 1.00 0.00 C ATOM 311 SG CYS A 20 0.116 -5.959 -1.730 1.00 0.00 S ATOM 0 H CYS A 20 3.005 -6.078 -3.824 1.00 0.00 H new ATOM 0 HA CYS A 20 2.829 -4.734 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.926 -7.529 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.887 -6.794 -0.336 1.00 0.00 H new ATOM 316 N ASN A 21 4.893 -6.132 -0.530 1.00 0.00 N ATOM 317 CA ASN A 21 6.176 -6.807 -0.306 1.00 0.00 C ATOM 318 C ASN A 21 5.938 -8.222 0.205 1.00 0.00 C ATOM 319 O ASN A 21 4.785 -8.646 0.309 1.00 0.00 O ATOM 320 CB ASN A 21 7.116 -6.007 0.628 1.00 0.00 C ATOM 321 CG ASN A 21 6.578 -5.737 2.027 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.797 -6.505 2.585 1.00 0.00 O ATOM 323 ND2 ASN A 21 7.001 -4.646 2.600 1.00 0.00 N ATOM 0 H ASN A 21 4.571 -5.550 0.244 1.00 0.00 H new ATOM 0 HA ASN A 21 6.692 -6.865 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.057 -6.549 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.343 -5.052 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.684 -4.408 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.649 -4.030 2.109 1.00 0.00 H new ATOM 330 N ARG A 22 7.003 -8.946 0.553 1.00 0.00 N ATOM 331 CA ARG A 22 6.873 -10.348 0.986 1.00 0.00 C ATOM 332 C ARG A 22 6.169 -10.477 2.350 1.00 0.00 C ATOM 333 O ARG A 22 5.855 -11.577 2.795 1.00 0.00 O ATOM 334 CB ARG A 22 8.239 -11.047 1.018 1.00 0.00 C ATOM 335 CG ARG A 22 9.180 -10.572 2.116 1.00 0.00 C ATOM 336 CD ARG A 22 10.528 -11.251 1.998 1.00 0.00 C ATOM 337 NE ARG A 22 11.431 -10.908 3.103 1.00 0.00 N ATOM 338 CZ ARG A 22 12.744 -10.660 2.970 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.301 -10.631 1.761 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.496 -10.442 4.046 1.00 0.00 N ATOM 0 H ARG A 22 7.960 -8.593 0.546 1.00 0.00 H new ATOM 0 HA ARG A 22 6.244 -10.846 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.079 -12.119 1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.727 -10.902 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.305 -9.491 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.744 -10.785 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.386 -12.331 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.992 -10.968 1.053 1.00 0.00 H new ATOM 0 HE ARG A 22 11.032 -10.854 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.730 -10.797 0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.299 -10.442 1.664 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.075 -10.463 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.493 -10.254 3.942 1.00 0.00 H new ATOM 354 N PHE A 23 5.938 -9.360 3.009 1.00 0.00 N ATOM 355 CA PHE A 23 5.236 -9.351 4.275 1.00 0.00 C ATOM 356 C PHE A 23 3.810 -8.870 4.063 1.00 0.00 C ATOM 357 O PHE A 23 3.053 -8.654 5.026 1.00 0.00 O ATOM 358 CB PHE A 23 5.955 -8.456 5.287 1.00 0.00 C ATOM 359 CG PHE A 23 7.345 -8.915 5.596 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.551 -10.068 6.324 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.446 -8.198 5.157 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.819 -10.504 6.612 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.723 -8.629 5.442 1.00 0.00 C ATOM 364 CZ PHE A 23 9.909 -9.786 6.171 1.00 0.00 C ATOM 0 H PHE A 23 6.230 -8.438 2.684 1.00 0.00 H new ATOM 0 HA PHE A 23 5.217 -10.365 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.993 -7.438 4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.376 -8.424 6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.701 -10.636 6.673 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.302 -7.293 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.963 -11.409 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.576 -8.063 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.908 -10.128 6.396 1.00 0.00 H new ATOM 374 N ASN A 24 3.449 -8.705 2.788 1.00 0.00 N ATOM 375 CA ASN A 24 2.128 -8.242 2.365 1.00 0.00 C ATOM 376 C ASN A 24 1.838 -6.843 2.831 1.00 0.00 C ATOM 377 O ASN A 24 0.695 -6.488 3.102 1.00 0.00 O ATOM 378 CB ASN A 24 1.004 -9.216 2.753 1.00 0.00 C ATOM 379 CG ASN A 24 0.985 -10.438 1.866 1.00 0.00 C ATOM 380 OD1 ASN A 24 1.618 -11.450 2.161 1.00 0.00 O ATOM 381 ND2 ASN A 24 0.267 -10.358 0.775 1.00 0.00 N ATOM 0 H ASN A 24 4.079 -8.893 2.008 1.00 0.00 H new ATOM 0 HA ASN A 24 2.155 -8.217 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.132 -9.523 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.043 -8.706 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.219 -11.152 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.245 -9.502 0.563 1.00 0.00 H new ATOM 388 N LYS A 25 2.876 -6.047 2.917 1.00 0.00 N ATOM 389 CA LYS A 25 2.731 -4.649 3.234 1.00 0.00 C ATOM 390 C LYS A 25 2.627 -3.913 1.923 1.00 0.00 C ATOM 391 O LYS A 25 3.347 -4.263 0.963 1.00 0.00 O ATOM 392 CB LYS A 25 3.946 -4.128 4.000 1.00 0.00 C ATOM 393 CG LYS A 25 4.304 -4.898 5.258 1.00 0.00 C ATOM 394 CD LYS A 25 3.210 -4.839 6.302 1.00 0.00 C ATOM 395 CE LYS A 25 3.642 -5.550 7.572 1.00 0.00 C ATOM 396 NZ LYS A 25 4.824 -4.911 8.192 1.00 0.00 N ATOM 0 H LYS A 25 3.839 -6.349 2.770 1.00 0.00 H new ATOM 0 HA LYS A 25 1.851 -4.499 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.807 -4.138 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.765 -3.088 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.500 -5.939 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.225 -4.494 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.969 -3.800 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.303 -5.300 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.817 -5.553 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.871 -6.591 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.904 -5.216 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.681 -5.190 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.719 -3.877 8.155 1.00 0.00 H new ATOM 410 N CYS A 26 1.747 -2.958 1.862 1.00 0.00 N ATOM 411 CA CYS A 26 1.521 -2.169 0.663 1.00 0.00 C ATOM 412 C CYS A 26 2.777 -1.384 0.288 1.00 0.00 C ATOM 413 O CYS A 26 3.220 -0.502 1.025 1.00 0.00 O ATOM 414 CB CYS A 26 0.336 -1.218 0.891 1.00 0.00 C ATOM 415 SG CYS A 26 -0.160 -0.233 -0.568 1.00 0.00 S ATOM 0 H CYS A 26 1.153 -2.693 2.648 1.00 0.00 H new ATOM 0 HA CYS A 26 1.287 -2.839 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.521 -1.804 1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.589 -0.535 1.702 1.00 0.00 H new ATOM 420 N VAL A 27 3.376 -1.709 -0.834 1.00 0.00 N ATOM 421 CA VAL A 27 4.554 -0.998 -1.232 1.00 0.00 C ATOM 422 C VAL A 27 4.287 -0.028 -2.360 1.00 0.00 C ATOM 423 O VAL A 27 4.129 -0.392 -3.541 1.00 0.00 O ATOM 424 CB VAL A 27 5.819 -1.883 -1.477 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.280 -2.502 -0.180 1.00 0.00 C ATOM 426 CG2 VAL A 27 5.576 -2.974 -2.495 1.00 0.00 C ATOM 0 H VAL A 27 3.071 -2.445 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 27 4.820 -0.408 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 27 6.592 -1.225 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.162 -3.116 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.528 -1.714 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.484 -3.123 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.487 -3.558 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.774 -3.625 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.291 -2.526 -3.447 1.00 0.00 H new ATOM 436 N LEU A 28 4.207 1.208 -1.964 1.00 0.00 N ATOM 437 CA LEU A 28 3.982 2.335 -2.837 1.00 0.00 C ATOM 438 C LEU A 28 5.191 2.543 -3.722 1.00 0.00 C ATOM 439 O LEU A 28 6.295 2.087 -3.388 1.00 0.00 O ATOM 440 CB LEU A 28 3.728 3.624 -2.010 1.00 0.00 C ATOM 441 CG LEU A 28 2.370 3.784 -1.294 1.00 0.00 C ATOM 442 CD1 LEU A 28 2.115 2.688 -0.280 1.00 0.00 C ATOM 443 CD2 LEU A 28 2.298 5.142 -0.624 1.00 0.00 C ATOM 0 H LEU A 28 4.300 1.475 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 28 3.105 2.128 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.511 3.693 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.853 4.476 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 28 1.592 3.704 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.147 2.849 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.117 1.720 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.898 2.705 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.337 5.249 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.102 5.230 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.403 5.925 -1.376 1.00 0.00 H new ATOM 455 N PRO A 29 5.027 3.166 -4.878 1.00 0.00 N ATOM 456 CA PRO A 29 6.157 3.496 -5.706 1.00 0.00 C ATOM 457 C PRO A 29 6.903 4.696 -5.117 1.00 0.00 C ATOM 458 O PRO A 29 6.444 5.308 -4.138 1.00 0.00 O ATOM 459 CB PRO A 29 5.525 3.858 -7.055 1.00 0.00 C ATOM 460 CG PRO A 29 4.155 4.338 -6.719 1.00 0.00 C ATOM 461 CD PRO A 29 3.741 3.601 -5.474 1.00 0.00 C ATOM 0 HA PRO A 29 6.883 2.687 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.100 4.630 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.489 2.995 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.151 5.415 -6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.462 4.139 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.183 4.245 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.100 2.751 -5.707 1.00 0.00 H new ATOM 469 N GLU A 30 8.021 5.037 -5.696 1.00 0.00 N ATOM 470 CA GLU A 30 8.780 6.220 -5.288 1.00 0.00 C ATOM 471 C GLU A 30 7.958 7.460 -5.635 1.00 0.00 C ATOM 472 O GLU A 30 8.005 8.473 -4.950 1.00 0.00 O ATOM 473 CB GLU A 30 10.182 6.269 -5.969 1.00 0.00 C ATOM 474 CG GLU A 30 10.193 6.413 -7.508 1.00 0.00 C ATOM 475 CD GLU A 30 9.473 5.296 -8.214 1.00 0.00 C ATOM 476 OE1 GLU A 30 10.068 4.231 -8.427 1.00 0.00 O ATOM 477 OE2 GLU A 30 8.265 5.442 -8.505 1.00 0.00 O ATOM 0 H GLU A 30 8.443 4.514 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 30 8.960 6.180 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.740 7.103 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.721 5.359 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.733 7.363 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.225 6.448 -7.856 1.00 0.00 H new ATOM 484 N THR A 31 7.167 7.313 -6.687 1.00 0.00 N ATOM 485 CA THR A 31 6.251 8.316 -7.168 1.00 0.00 C ATOM 486 C THR A 31 5.148 8.617 -6.114 1.00 0.00 C ATOM 487 O THR A 31 4.595 9.717 -6.076 1.00 0.00 O ATOM 488 CB THR A 31 5.604 7.803 -8.484 1.00 0.00 C ATOM 489 OG1 THR A 31 6.648 7.386 -9.400 1.00 0.00 O ATOM 490 CG2 THR A 31 4.771 8.890 -9.155 1.00 0.00 C ATOM 0 H THR A 31 7.151 6.459 -7.244 1.00 0.00 H new ATOM 0 HA THR A 31 6.796 9.242 -7.351 1.00 0.00 H new ATOM 0 HB THR A 31 4.951 6.967 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.994 6.511 -9.125 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.333 8.498 -10.073 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.976 9.208 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.408 9.742 -9.392 1.00 0.00 H new ATOM 498 N GLY A 32 4.878 7.646 -5.246 1.00 0.00 N ATOM 499 CA GLY A 32 3.839 7.796 -4.253 1.00 0.00 C ATOM 500 C GLY A 32 2.474 7.873 -4.893 1.00 0.00 C ATOM 501 O GLY A 32 2.183 7.122 -5.839 1.00 0.00 O ATOM 0 H GLY A 32 5.368 6.752 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.871 6.955 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.020 8.698 -3.668 1.00 0.00 H new ATOM 505 N GLY A 33 1.657 8.769 -4.415 1.00 0.00 N ATOM 506 CA GLY A 33 0.341 8.947 -4.958 1.00 0.00 C ATOM 507 C GLY A 33 -0.694 8.925 -3.875 1.00 0.00 C ATOM 508 O GLY A 33 -0.359 9.046 -2.698 1.00 0.00 O ATOM 0 H GLY A 33 1.884 9.394 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.290 9.894 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.132 8.159 -5.681 1.00 0.00 H new ATOM 512 N GLY A 34 -1.936 8.773 -4.241 1.00 0.00 N ATOM 513 CA GLY A 34 -2.996 8.684 -3.263 1.00 0.00 C ATOM 514 C GLY A 34 -3.288 7.242 -2.981 1.00 0.00 C ATOM 515 O GLY A 34 -4.382 6.745 -3.260 1.00 0.00 O ATOM 0 H GLY A 34 -2.245 8.707 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.704 9.194 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.892 9.183 -3.634 1.00 0.00 H new