USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=8 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+ -135:sc= 0 (180deg=-0.487) USER MOD Single : A 5 ASN :FLIP amide:sc=-0.00356 F(o=-0.87,f=-0.0036) USER MOD Single : A 6 GLN : amide:sc= -0.911 X(o=-0.91,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 142:sc= 1.35 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0382 (180deg=-0.276) USER MOD Single : A 21 ASN : amide:sc= -1.84! C(o=-1.8!,f=-7.3!) USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0.414) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -0.983 7.915 -2.272 1.00 0.00 N ATOM 2 CA CYS A 1 -1.453 6.541 -2.297 1.00 0.00 C ATOM 3 C CYS A 1 -1.785 6.007 -0.900 1.00 0.00 C ATOM 4 O CYS A 1 -1.759 6.752 0.096 1.00 0.00 O ATOM 5 CB CYS A 1 -0.373 5.680 -2.932 1.00 0.00 C ATOM 6 SG CYS A 1 0.039 6.179 -4.627 1.00 0.00 S ATOM 0 H3 CYS A 1 -1.454 8.457 -3.025 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.377 6.506 -2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 1 0.527 5.727 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.702 4.641 -2.937 1.00 0.00 H new ATOM 11 N ARG A 2 -2.151 4.722 -0.837 1.00 0.00 N ATOM 12 CA ARG A 2 -2.359 4.045 0.453 1.00 0.00 C ATOM 13 C ARG A 2 -1.041 3.925 1.225 1.00 0.00 C ATOM 14 O ARG A 2 0.025 4.158 0.672 1.00 0.00 O ATOM 15 CB ARG A 2 -2.987 2.657 0.283 1.00 0.00 C ATOM 16 CG ARG A 2 -4.514 2.616 0.215 1.00 0.00 C ATOM 17 CD ARG A 2 -5.093 3.387 -0.949 1.00 0.00 C ATOM 18 NE ARG A 2 -6.544 3.201 -1.037 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.405 3.987 -1.690 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.972 5.028 -2.387 1.00 0.00 N ATOM 21 NH2 ARG A 2 -8.703 3.713 -1.656 1.00 0.00 N ATOM 0 H ARG A 2 -2.309 4.132 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.055 4.661 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.590 2.210 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.663 2.029 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.838 1.577 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.921 3.017 1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.866 4.447 -0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.624 3.058 -1.876 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.935 2.393 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.974 5.235 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.637 5.622 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.040 2.905 -1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.364 4.310 -2.153 1.00 0.00 H new ATOM 35 N ILE A 3 -1.125 3.547 2.485 1.00 0.00 N ATOM 36 CA ILE A 3 0.052 3.457 3.344 1.00 0.00 C ATOM 37 C ILE A 3 0.796 2.132 3.145 1.00 0.00 C ATOM 38 O ILE A 3 0.173 1.092 2.926 1.00 0.00 O ATOM 39 CB ILE A 3 -0.321 3.602 4.844 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.311 2.502 5.275 1.00 0.00 C ATOM 41 CG2 ILE A 3 -0.898 4.980 5.099 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.620 2.485 6.752 1.00 0.00 C ATOM 0 H ILE A 3 -2.000 3.294 2.945 1.00 0.00 H new ATOM 0 HA ILE A 3 0.704 4.282 3.056 1.00 0.00 H new ATOM 0 HB ILE A 3 0.582 3.484 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.242 2.631 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.904 1.532 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.158 5.076 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.160 5.738 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.792 5.118 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.324 1.681 6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.700 2.323 7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.059 3.439 7.043 1.00 0.00 H new ATOM 69 N ASN A 5 2.012 0.215 5.206 1.00 0.00 N ATOM 70 CA ASN A 5 1.973 -0.584 6.414 1.00 0.00 C ATOM 71 C ASN A 5 0.736 -1.433 6.487 1.00 0.00 C ATOM 72 O ASN A 5 0.621 -2.286 7.360 1.00 0.00 O ATOM 73 CB ASN A 5 2.132 0.267 7.687 1.00 0.00 C ATOM 74 CG ASN A 5 3.484 0.970 7.808 1.00 0.00 C ATOM 75 OD1 ASN A 5 4.541 0.353 7.327 1.00 0.00 O flip ATOM 76 ND2 ASN A 5 3.571 2.070 8.357 1.00 0.00 N flip ATOM 0 HA ASN A 5 2.833 -1.252 6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.342 1.018 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.989 -0.373 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.734 2.526 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.480 2.525 8.447 1.00 0.00 H new ATOM 83 N GLN A 6 -0.170 -1.232 5.565 1.00 0.00 N ATOM 84 CA GLN A 6 -1.387 -2.008 5.561 1.00 0.00 C ATOM 85 C GLN A 6 -1.161 -3.257 4.737 1.00 0.00 C ATOM 86 O GLN A 6 -0.280 -3.269 3.860 1.00 0.00 O ATOM 87 CB GLN A 6 -2.554 -1.202 4.997 1.00 0.00 C ATOM 88 CG GLN A 6 -2.416 -0.841 3.527 1.00 0.00 C ATOM 89 CD GLN A 6 -3.587 -0.052 2.996 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.935 -0.165 1.833 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.186 0.762 3.829 1.00 0.00 N ATOM 0 H GLN A 6 -0.092 -0.546 4.814 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.643 -2.278 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.473 -1.772 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.659 -0.284 5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.503 -0.263 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.308 -1.755 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.866 0.829 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.972 1.329 3.512 1.00 0.00 H new ATOM 100 N LYS A 7 -1.920 -4.283 5.007 1.00 0.00 N ATOM 101 CA LYS A 7 -1.787 -5.520 4.294 1.00 0.00 C ATOM 102 C LYS A 7 -2.563 -5.448 3.004 1.00 0.00 C ATOM 103 O LYS A 7 -3.654 -4.902 2.966 1.00 0.00 O ATOM 104 CB LYS A 7 -2.308 -6.671 5.120 1.00 0.00 C ATOM 105 CG LYS A 7 -1.871 -7.977 4.568 1.00 0.00 C ATOM 106 CD LYS A 7 -2.261 -9.112 5.436 1.00 0.00 C ATOM 107 CE LYS A 7 -1.671 -10.345 4.863 1.00 0.00 C ATOM 108 NZ LYS A 7 -1.938 -11.543 5.663 1.00 0.00 N ATOM 0 H LYS A 7 -2.645 -4.284 5.725 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.730 -5.684 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.956 -6.572 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.397 -6.634 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.305 -8.114 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.788 -7.973 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.904 -8.955 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.346 -9.197 5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.064 -10.494 3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.593 -10.213 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.499 -12.369 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.540 -11.420 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.965 -11.692 5.733 1.00 0.00 H new ATOM 122 N CYS A 8 -2.018 -5.999 1.979 1.00 0.00 N ATOM 123 CA CYS A 8 -2.649 -6.013 0.692 1.00 0.00 C ATOM 124 C CYS A 8 -2.690 -7.437 0.181 1.00 0.00 C ATOM 125 O CYS A 8 -1.942 -8.306 0.669 1.00 0.00 O ATOM 126 CB CYS A 8 -1.925 -5.070 -0.271 1.00 0.00 C ATOM 127 SG CYS A 8 -0.137 -5.341 -0.364 1.00 0.00 S ATOM 0 H CYS A 8 -1.109 -6.461 2.003 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.673 -5.649 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.352 -5.187 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.110 -4.041 0.037 1.00 0.00 H new ATOM 132 N PHE A 9 -3.562 -7.704 -0.756 1.00 0.00 N ATOM 133 CA PHE A 9 -3.768 -9.046 -1.243 1.00 0.00 C ATOM 134 C PHE A 9 -3.773 -9.029 -2.763 1.00 0.00 C ATOM 135 O PHE A 9 -3.800 -7.959 -3.364 1.00 0.00 O ATOM 136 CB PHE A 9 -5.106 -9.608 -0.707 1.00 0.00 C ATOM 137 CG PHE A 9 -5.187 -9.819 0.804 1.00 0.00 C ATOM 138 CD1 PHE A 9 -5.367 -8.750 1.690 1.00 0.00 C ATOM 139 CD2 PHE A 9 -5.095 -11.093 1.334 1.00 0.00 C ATOM 140 CE1 PHE A 9 -5.449 -8.964 3.049 1.00 0.00 C ATOM 141 CE2 PHE A 9 -5.182 -11.304 2.698 1.00 0.00 C ATOM 142 CZ PHE A 9 -5.360 -10.240 3.553 1.00 0.00 C ATOM 0 H PHE A 9 -4.149 -7.000 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.961 -9.689 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.906 -8.930 -1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.299 -10.562 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.443 -7.744 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.953 -11.935 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.583 -8.128 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.110 -12.306 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.430 -10.407 4.618 1.00 0.00 H new ATOM 152 N GLN A 10 -3.756 -10.191 -3.382 1.00 0.00 N ATOM 153 CA GLN A 10 -3.756 -10.297 -4.815 1.00 0.00 C ATOM 154 C GLN A 10 -5.106 -9.901 -5.401 1.00 0.00 C ATOM 155 O GLN A 10 -5.179 -9.273 -6.447 1.00 0.00 O ATOM 156 CB GLN A 10 -3.403 -11.719 -5.226 1.00 0.00 C ATOM 157 CG GLN A 10 -3.476 -11.937 -6.704 1.00 0.00 C ATOM 158 CD GLN A 10 -3.067 -13.319 -7.149 1.00 0.00 C ATOM 159 OE1 GLN A 10 -3.246 -14.305 -6.319 1.00 0.00 O flip ATOM 160 NE2 GLN A 10 -2.575 -13.491 -8.249 1.00 0.00 N flip ATOM 0 H GLN A 10 -3.742 -11.089 -2.898 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.007 -9.609 -5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.396 -11.952 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.080 -12.413 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.496 -11.748 -7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.838 -11.205 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.446 -12.700 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.291 -14.427 -8.540 1.00 0.00 H new ATOM 169 N HIS A 11 -6.158 -10.267 -4.729 1.00 0.00 N ATOM 170 CA HIS A 11 -7.491 -9.997 -5.232 1.00 0.00 C ATOM 171 C HIS A 11 -8.081 -8.735 -4.628 1.00 0.00 C ATOM 172 O HIS A 11 -9.221 -8.360 -4.931 1.00 0.00 O ATOM 173 CB HIS A 11 -8.405 -11.198 -4.987 1.00 0.00 C ATOM 174 CG HIS A 11 -7.979 -12.440 -5.720 1.00 0.00 C ATOM 175 ND1 HIS A 11 -7.275 -13.472 -5.140 1.00 0.00 N ATOM 176 CD2 HIS A 11 -8.167 -12.797 -7.013 1.00 0.00 C ATOM 177 CE1 HIS A 11 -7.056 -14.402 -6.073 1.00 0.00 C ATOM 178 NE2 HIS A 11 -7.580 -14.042 -7.234 1.00 0.00 N ATOM 0 H HIS A 11 -6.129 -10.753 -3.832 1.00 0.00 H new ATOM 0 HA HIS A 11 -7.411 -9.830 -6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.434 -11.409 -3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.420 -10.939 -5.288 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.689 -12.210 -7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -6.522 -15.325 -5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -7.559 -14.566 -8.109 1.00 0.00 H new ATOM 186 N LEU A 12 -7.311 -8.073 -3.792 1.00 0.00 N ATOM 187 CA LEU A 12 -7.763 -6.862 -3.141 1.00 0.00 C ATOM 188 C LEU A 12 -6.737 -5.758 -3.336 1.00 0.00 C ATOM 189 O LEU A 12 -5.814 -5.602 -2.521 1.00 0.00 O ATOM 190 CB LEU A 12 -8.074 -7.055 -1.628 1.00 0.00 C ATOM 191 CG LEU A 12 -9.231 -8.007 -1.235 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.853 -9.478 -1.365 1.00 0.00 C ATOM 193 CD2 LEU A 12 -9.721 -7.699 0.165 1.00 0.00 C ATOM 0 H LEU A 12 -6.362 -8.355 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.705 -6.582 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.166 -7.417 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.291 -6.074 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.042 -7.829 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.701 -10.099 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.580 -9.694 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.007 -9.695 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.534 -8.378 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.902 -7.827 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.080 -6.671 0.207 1.00 0.00 H new ATOM 205 N ASP A 13 -6.882 -5.018 -4.421 1.00 0.00 N ATOM 206 CA ASP A 13 -5.929 -3.969 -4.776 1.00 0.00 C ATOM 207 C ASP A 13 -6.566 -2.604 -4.622 1.00 0.00 C ATOM 208 O ASP A 13 -7.599 -2.325 -5.249 1.00 0.00 O ATOM 209 CB ASP A 13 -5.487 -4.053 -6.249 1.00 0.00 C ATOM 210 CG ASP A 13 -4.860 -5.347 -6.715 1.00 0.00 C ATOM 211 OD1 ASP A 13 -3.681 -5.627 -6.380 1.00 0.00 O ATOM 212 OD2 ASP A 13 -5.511 -6.062 -7.519 1.00 0.00 O ATOM 0 H ASP A 13 -7.655 -5.122 -5.079 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.076 -4.109 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.358 -3.857 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.775 -3.248 -6.433 1.00 0.00 H new ATOM 217 N ASP A 14 -6.012 -1.776 -3.778 1.00 0.00 N ATOM 218 CA ASP A 14 -6.430 -0.377 -3.705 1.00 0.00 C ATOM 219 C ASP A 14 -5.222 0.575 -3.675 1.00 0.00 C ATOM 220 O ASP A 14 -5.365 1.803 -3.724 1.00 0.00 O ATOM 221 CB ASP A 14 -7.460 -0.097 -2.585 1.00 0.00 C ATOM 222 CG ASP A 14 -6.962 -0.270 -1.171 1.00 0.00 C ATOM 223 OD1 ASP A 14 -6.479 -1.354 -0.814 1.00 0.00 O ATOM 224 OD2 ASP A 14 -7.110 0.675 -0.365 1.00 0.00 O ATOM 0 H ASP A 14 -5.270 -2.033 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.970 -0.168 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.823 0.925 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.315 -0.757 -2.731 1.00 0.00 H new ATOM 229 N CYS A 15 -4.028 0.002 -3.630 1.00 0.00 N ATOM 230 CA CYS A 15 -2.789 0.773 -3.706 1.00 0.00 C ATOM 231 C CYS A 15 -2.509 1.147 -5.160 1.00 0.00 C ATOM 232 O CYS A 15 -2.808 0.356 -6.064 1.00 0.00 O ATOM 233 CB CYS A 15 -1.606 -0.029 -3.157 1.00 0.00 C ATOM 234 SG CYS A 15 -1.643 -0.354 -1.373 1.00 0.00 S ATOM 0 H CYS A 15 -3.888 -1.004 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.910 1.672 -3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.562 -0.983 -3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.686 0.507 -3.392 1.00 0.00 H new ATOM 239 N CYS A 16 -1.935 2.337 -5.381 1.00 0.00 N ATOM 240 CA CYS A 16 -1.638 2.856 -6.731 1.00 0.00 C ATOM 241 C CYS A 16 -0.830 1.860 -7.561 1.00 0.00 C ATOM 242 O CYS A 16 -1.138 1.585 -8.710 1.00 0.00 O ATOM 243 CB CYS A 16 -0.818 4.149 -6.658 1.00 0.00 C ATOM 244 SG CYS A 16 -1.541 5.494 -5.690 1.00 0.00 S ATOM 0 H CYS A 16 -1.661 2.971 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.605 3.035 -7.200 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.160 3.912 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.652 4.508 -7.674 1.00 0.00 H new ATOM 249 N SER A 17 0.188 1.316 -6.938 1.00 0.00 N ATOM 250 CA SER A 17 1.128 0.435 -7.562 1.00 0.00 C ATOM 251 C SER A 17 0.641 -1.008 -7.602 1.00 0.00 C ATOM 252 O SER A 17 1.160 -1.821 -8.367 1.00 0.00 O ATOM 253 CB SER A 17 2.389 0.539 -6.739 1.00 0.00 C ATOM 254 OG SER A 17 2.019 0.612 -5.353 1.00 0.00 O ATOM 0 H SER A 17 0.385 1.484 -5.951 1.00 0.00 H new ATOM 0 HA SER A 17 1.282 0.721 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.030 -0.325 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.958 1.423 -7.027 1.00 0.00 H new ATOM 0 HG SER A 17 2.659 0.100 -4.816 1.00 0.00 H new ATOM 260 N ARG A 18 -0.365 -1.316 -6.771 1.00 0.00 N ATOM 261 CA ARG A 18 -0.886 -2.688 -6.589 1.00 0.00 C ATOM 262 C ARG A 18 0.224 -3.630 -6.087 1.00 0.00 C ATOM 263 O ARG A 18 0.128 -4.857 -6.200 1.00 0.00 O ATOM 264 CB ARG A 18 -1.526 -3.272 -7.880 1.00 0.00 C ATOM 265 CG ARG A 18 -2.811 -2.592 -8.363 1.00 0.00 C ATOM 266 CD ARG A 18 -2.571 -1.290 -9.109 1.00 0.00 C ATOM 267 NE ARG A 18 -1.888 -1.494 -10.395 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.019 -0.690 -11.467 1.00 0.00 C ATOM 269 NH1 ARG A 18 -2.827 0.369 -11.418 1.00 0.00 N ATOM 270 NH2 ARG A 18 -1.355 -0.962 -12.589 1.00 0.00 N ATOM 0 H ARG A 18 -0.846 -0.620 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.675 -2.617 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.789 -3.221 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.739 -4.327 -7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.352 -3.279 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.452 -2.395 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.526 -0.794 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.974 -0.623 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.271 -2.302 -10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.349 0.573 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.923 0.975 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.747 -1.780 -12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.454 -0.353 -13.401 1.00 0.00 H new ATOM 284 N LYS A 19 1.245 -3.055 -5.487 1.00 0.00 N ATOM 285 CA LYS A 19 2.381 -3.820 -5.067 1.00 0.00 C ATOM 286 C LYS A 19 2.380 -4.137 -3.613 1.00 0.00 C ATOM 287 O LYS A 19 2.038 -3.305 -2.763 1.00 0.00 O ATOM 288 CB LYS A 19 3.687 -3.175 -5.468 1.00 0.00 C ATOM 289 CG LYS A 19 3.983 -3.239 -6.940 1.00 0.00 C ATOM 290 CD LYS A 19 4.173 -4.670 -7.428 1.00 0.00 C ATOM 291 CE LYS A 19 4.545 -4.705 -8.901 1.00 0.00 C ATOM 292 NZ LYS A 19 5.840 -4.035 -9.176 1.00 0.00 N ATOM 0 H LYS A 19 1.304 -2.057 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 19 2.291 -4.768 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.673 -2.130 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.499 -3.658 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.167 -2.774 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.883 -2.662 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.953 -5.156 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.255 -5.236 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.598 -5.741 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.759 -4.223 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.173 -4.299 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.715 -3.004 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.542 -4.332 -8.468 1.00 0.00 H new ATOM 306 N CYS A 20 2.817 -5.316 -3.355 1.00 0.00 N ATOM 307 CA CYS A 20 2.886 -5.879 -2.031 1.00 0.00 C ATOM 308 C CYS A 20 4.265 -6.460 -1.814 1.00 0.00 C ATOM 309 O CYS A 20 4.823 -7.088 -2.719 1.00 0.00 O ATOM 310 CB CYS A 20 1.842 -6.985 -1.878 1.00 0.00 C ATOM 311 SG CYS A 20 0.122 -6.428 -2.046 1.00 0.00 S ATOM 0 H CYS A 20 3.153 -5.950 -4.080 1.00 0.00 H new ATOM 0 HA CYS A 20 2.689 -5.099 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.035 -7.755 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.966 -7.451 -0.900 1.00 0.00 H new ATOM 316 N ASN A 21 4.826 -6.252 -0.645 1.00 0.00 N ATOM 317 CA ASN A 21 6.151 -6.785 -0.356 1.00 0.00 C ATOM 318 C ASN A 21 6.037 -8.089 0.431 1.00 0.00 C ATOM 319 O ASN A 21 4.929 -8.576 0.672 1.00 0.00 O ATOM 320 CB ASN A 21 7.045 -5.763 0.393 1.00 0.00 C ATOM 321 CG ASN A 21 6.665 -5.510 1.851 1.00 0.00 C ATOM 322 OD1 ASN A 21 7.126 -6.211 2.749 1.00 0.00 O ATOM 323 ND2 ASN A 21 5.859 -4.518 2.099 1.00 0.00 N ATOM 0 H ASN A 21 4.398 -5.726 0.117 1.00 0.00 H new ATOM 0 HA ASN A 21 6.637 -6.989 -1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.076 -6.114 0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.013 -4.815 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.594 -4.305 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.493 -3.954 1.332 1.00 0.00 H new ATOM 330 N ARG A 22 7.175 -8.640 0.832 1.00 0.00 N ATOM 331 CA ARG A 22 7.258 -9.912 1.581 1.00 0.00 C ATOM 332 C ARG A 22 6.453 -9.925 2.885 1.00 0.00 C ATOM 333 O ARG A 22 5.964 -10.966 3.303 1.00 0.00 O ATOM 334 CB ARG A 22 8.714 -10.296 1.822 1.00 0.00 C ATOM 335 CG ARG A 22 9.555 -9.239 2.513 1.00 0.00 C ATOM 336 CD ARG A 22 11.017 -9.610 2.433 1.00 0.00 C ATOM 337 NE ARG A 22 11.433 -9.787 1.032 1.00 0.00 N ATOM 338 CZ ARG A 22 12.619 -10.230 0.617 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.602 -10.455 1.485 1.00 0.00 N ATOM 340 NH2 ARG A 22 12.814 -10.449 -0.673 1.00 0.00 N ATOM 0 H ARG A 22 8.086 -8.219 0.649 1.00 0.00 H new ATOM 0 HA ARG A 22 6.789 -10.666 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.739 -11.206 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.174 -10.534 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.391 -8.268 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.251 -9.145 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.621 -8.833 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.195 -10.530 2.989 1.00 0.00 H new ATOM 0 HE ARG A 22 10.750 -9.548 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.452 -10.288 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.506 -10.794 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.060 -10.279 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.718 -10.788 -1.002 1.00 0.00 H new ATOM 354 N PHE A 23 6.278 -8.766 3.496 1.00 0.00 N ATOM 355 CA PHE A 23 5.488 -8.654 4.728 1.00 0.00 C ATOM 356 C PHE A 23 4.002 -8.592 4.418 1.00 0.00 C ATOM 357 O PHE A 23 3.178 -8.430 5.307 1.00 0.00 O ATOM 358 CB PHE A 23 5.908 -7.423 5.532 1.00 0.00 C ATOM 359 CG PHE A 23 7.249 -7.579 6.159 1.00 0.00 C ATOM 360 CD1 PHE A 23 8.400 -7.263 5.468 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.354 -8.070 7.438 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.634 -7.432 6.048 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.578 -8.244 8.022 1.00 0.00 C ATOM 364 CZ PHE A 23 9.724 -7.925 7.326 1.00 0.00 C ATOM 0 H PHE A 23 6.669 -7.884 3.165 1.00 0.00 H new ATOM 0 HA PHE A 23 5.679 -9.544 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.916 -6.552 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.168 -7.231 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.331 -6.879 4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.459 -8.321 7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.530 -7.178 5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.647 -8.631 9.028 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.692 -8.063 7.785 1.00 0.00 H new ATOM 374 N ASN A 24 3.685 -8.691 3.119 1.00 0.00 N ATOM 375 CA ASN A 24 2.309 -8.669 2.578 1.00 0.00 C ATOM 376 C ASN A 24 1.705 -7.300 2.722 1.00 0.00 C ATOM 377 O ASN A 24 0.502 -7.106 2.571 1.00 0.00 O ATOM 378 CB ASN A 24 1.395 -9.739 3.210 1.00 0.00 C ATOM 379 CG ASN A 24 1.710 -11.177 2.807 1.00 0.00 C ATOM 380 OD1 ASN A 24 2.965 -11.505 2.602 1.00 0.00 O flip ATOM 381 ND2 ASN A 24 0.810 -12.008 2.723 1.00 0.00 N flip ATOM 0 H ASN A 24 4.394 -8.791 2.393 1.00 0.00 H new ATOM 0 HA ASN A 24 2.386 -8.915 1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.463 -9.659 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.362 -9.519 2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.158 -11.730 2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.030 -12.976 2.490 1.00 0.00 H new ATOM 388 N LYS A 25 2.561 -6.348 2.955 1.00 0.00 N ATOM 389 CA LYS A 25 2.170 -4.995 3.118 1.00 0.00 C ATOM 390 C LYS A 25 2.352 -4.249 1.830 1.00 0.00 C ATOM 391 O LYS A 25 3.133 -4.676 0.956 1.00 0.00 O ATOM 392 CB LYS A 25 2.956 -4.348 4.231 1.00 0.00 C ATOM 393 CG LYS A 25 2.658 -4.928 5.597 1.00 0.00 C ATOM 394 CD LYS A 25 3.496 -4.242 6.626 1.00 0.00 C ATOM 395 CE LYS A 25 3.265 -4.780 8.030 1.00 0.00 C ATOM 396 NZ LYS A 25 1.889 -4.541 8.518 1.00 0.00 N ATOM 0 H LYS A 25 3.566 -6.502 3.037 1.00 0.00 H new ATOM 0 HA LYS A 25 1.115 -4.963 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.021 -4.456 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.741 -3.280 4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.601 -4.805 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.863 -5.999 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.548 -4.357 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.279 -3.174 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.469 -5.851 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.974 -4.313 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.909 -4.371 9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.490 -3.710 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.300 -5.374 8.316 1.00 0.00 H new ATOM 410 N CYS A 26 1.669 -3.156 1.719 1.00 0.00 N ATOM 411 CA CYS A 26 1.659 -2.359 0.507 1.00 0.00 C ATOM 412 C CYS A 26 2.989 -1.626 0.317 1.00 0.00 C ATOM 413 O CYS A 26 3.647 -1.273 1.291 1.00 0.00 O ATOM 414 CB CYS A 26 0.486 -1.358 0.570 1.00 0.00 C ATOM 415 SG CYS A 26 0.321 -0.246 -0.870 1.00 0.00 S ATOM 0 H CYS A 26 1.091 -2.776 2.469 1.00 0.00 H new ATOM 0 HA CYS A 26 1.527 -3.018 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.442 -1.919 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.600 -0.748 1.466 1.00 0.00 H new ATOM 420 N VAL A 27 3.415 -1.477 -0.924 1.00 0.00 N ATOM 421 CA VAL A 27 4.590 -0.683 -1.259 1.00 0.00 C ATOM 422 C VAL A 27 4.260 0.309 -2.368 1.00 0.00 C ATOM 423 O VAL A 27 3.770 -0.064 -3.450 1.00 0.00 O ATOM 424 CB VAL A 27 5.883 -1.510 -1.590 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.454 -2.132 -0.337 1.00 0.00 C ATOM 426 CG2 VAL A 27 5.617 -2.598 -2.614 1.00 0.00 C ATOM 0 H VAL A 27 2.958 -1.902 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 27 4.846 -0.142 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 27 6.604 -0.811 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.349 -2.701 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.711 -1.347 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.715 -2.798 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.539 -3.144 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.864 -3.285 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.256 -2.147 -3.539 1.00 0.00 H new ATOM 436 N LEU A 28 4.501 1.561 -2.077 1.00 0.00 N ATOM 437 CA LEU A 28 4.161 2.675 -2.948 1.00 0.00 C ATOM 438 C LEU A 28 5.125 2.798 -4.122 1.00 0.00 C ATOM 439 O LEU A 28 6.272 2.333 -4.047 1.00 0.00 O ATOM 440 CB LEU A 28 4.129 4.010 -2.154 1.00 0.00 C ATOM 441 CG LEU A 28 2.963 4.234 -1.164 1.00 0.00 C ATOM 442 CD1 LEU A 28 2.970 3.227 -0.031 1.00 0.00 C ATOM 443 CD2 LEU A 28 3.010 5.644 -0.609 1.00 0.00 C ATOM 0 H LEU A 28 4.950 1.850 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 28 3.167 2.471 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.062 4.090 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.118 4.828 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 28 2.036 4.092 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.132 3.426 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.878 2.220 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.905 3.310 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.184 5.789 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.955 5.798 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.926 6.360 -1.427 1.00 0.00 H new ATOM 455 N PRO A 29 4.673 3.403 -5.242 1.00 0.00 N ATOM 456 CA PRO A 29 5.529 3.654 -6.398 1.00 0.00 C ATOM 457 C PRO A 29 6.550 4.744 -6.080 1.00 0.00 C ATOM 458 O PRO A 29 6.394 5.487 -5.088 1.00 0.00 O ATOM 459 CB PRO A 29 4.551 4.130 -7.481 1.00 0.00 C ATOM 460 CG PRO A 29 3.396 4.690 -6.730 1.00 0.00 C ATOM 461 CD PRO A 29 3.289 3.884 -5.469 1.00 0.00 C ATOM 0 HA PRO A 29 6.100 2.777 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.008 4.883 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.242 3.306 -8.125 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.552 5.745 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.480 4.620 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.934 4.490 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.590 3.055 -5.581 1.00 0.00 H new ATOM 469 N GLU A 30 7.568 4.862 -6.895 1.00 0.00 N ATOM 470 CA GLU A 30 8.607 5.832 -6.647 1.00 0.00 C ATOM 471 C GLU A 30 8.115 7.261 -6.814 1.00 0.00 C ATOM 472 O GLU A 30 8.517 8.145 -6.058 1.00 0.00 O ATOM 473 CB GLU A 30 9.854 5.561 -7.477 1.00 0.00 C ATOM 474 CG GLU A 30 10.542 4.256 -7.122 1.00 0.00 C ATOM 475 CD GLU A 30 10.848 4.160 -5.649 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.784 4.827 -5.171 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.140 3.437 -4.931 1.00 0.00 O ATOM 0 H GLU A 30 7.700 4.299 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 30 8.891 5.719 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.582 5.545 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.557 6.383 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.907 3.420 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.468 4.168 -7.691 1.00 0.00 H new ATOM 484 N THR A 31 7.233 7.489 -7.762 1.00 0.00 N ATOM 485 CA THR A 31 6.688 8.812 -7.966 1.00 0.00 C ATOM 486 C THR A 31 5.713 9.168 -6.823 1.00 0.00 C ATOM 487 O THR A 31 5.718 10.296 -6.308 1.00 0.00 O ATOM 488 CB THR A 31 5.961 8.905 -9.324 1.00 0.00 C ATOM 489 OG1 THR A 31 6.797 8.342 -10.342 1.00 0.00 O ATOM 490 CG2 THR A 31 5.686 10.355 -9.679 1.00 0.00 C ATOM 0 H THR A 31 6.879 6.778 -8.402 1.00 0.00 H new ATOM 0 HA THR A 31 7.514 9.523 -7.968 1.00 0.00 H new ATOM 0 HB THR A 31 5.018 8.363 -9.254 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.340 8.396 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.173 10.403 -10.639 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.059 10.805 -8.909 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.628 10.899 -9.743 1.00 0.00 H new ATOM 498 N GLY A 32 4.930 8.189 -6.403 1.00 0.00 N ATOM 499 CA GLY A 32 3.948 8.401 -5.354 1.00 0.00 C ATOM 500 C GLY A 32 2.683 9.022 -5.906 1.00 0.00 C ATOM 501 O GLY A 32 2.385 8.858 -7.103 1.00 0.00 O ATOM 0 H GLY A 32 4.955 7.239 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.711 7.450 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.368 9.048 -4.584 1.00 0.00 H new ATOM 505 N GLY A 33 1.944 9.722 -5.064 1.00 0.00 N ATOM 506 CA GLY A 33 0.747 10.393 -5.523 1.00 0.00 C ATOM 507 C GLY A 33 -0.390 10.363 -4.523 1.00 0.00 C ATOM 508 O GLY A 33 -1.565 10.386 -4.911 1.00 0.00 O ATOM 0 H GLY A 33 2.150 9.838 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.989 11.431 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.415 9.929 -6.452 1.00 0.00 H new ATOM 512 N GLY A 34 -0.066 10.326 -3.252 1.00 0.00 N ATOM 513 CA GLY A 34 -1.088 10.294 -2.232 1.00 0.00 C ATOM 514 C GLY A 34 -1.771 8.948 -2.164 1.00 0.00 C ATOM 515 O GLY A 34 -2.994 8.862 -2.007 1.00 0.00 O ATOM 0 H GLY A 34 0.891 10.317 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.643 10.525 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.829 11.068 -2.435 1.00 0.00 H new