USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 254 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 Single : A 1 MET CE :methyl -102:sc= -0.504 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.042 X(o=0.042,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.19) USER MOD Single : A 19 SER OG : rot -140:sc= 0 USER MOD Single : A 22 MET CE :methyl 179:sc= 0 (180deg=-0.000598) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0501) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 80:sc= 0.765 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0125) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.0848 (180deg=-0.667) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.768 -19.205 -12.269 1.00 0.00 N ATOM 2 CA MET A 1 2.797 -19.126 -13.396 1.00 0.00 C ATOM 3 C MET A 1 3.507 -18.598 -14.644 1.00 0.00 C ATOM 4 O MET A 1 4.260 -17.647 -14.587 1.00 0.00 O ATOM 5 CB MET A 1 1.653 -18.181 -13.021 1.00 0.00 C ATOM 6 CG MET A 1 0.485 -18.992 -12.460 1.00 0.00 C ATOM 7 SD MET A 1 -0.368 -19.838 -13.814 1.00 0.00 S ATOM 8 CE MET A 1 0.074 -21.528 -13.339 1.00 0.00 C ATOM 0 H1 MET A 1 3.286 -19.564 -11.420 1.00 0.00 H new ATOM 0 H2 MET A 1 4.545 -19.848 -12.524 1.00 0.00 H new ATOM 0 H3 MET A 1 4.152 -18.258 -12.075 1.00 0.00 H new ATOM 0 HA MET A 1 2.395 -20.119 -13.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.994 -17.455 -12.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.331 -17.617 -13.897 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.849 -19.719 -11.734 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.208 -18.336 -11.933 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.886 -21.883 -13.973 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.394 -21.541 -12.297 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.792 -22.178 -13.461 1.00 0.00 H new ATOM 20 N GLY A 2 3.273 -19.210 -15.773 1.00 0.00 N ATOM 21 CA GLY A 2 3.936 -18.743 -17.024 1.00 0.00 C ATOM 22 C GLY A 2 2.891 -18.295 -18.035 1.00 0.00 C ATOM 23 O GLY A 2 3.194 -17.963 -19.164 1.00 0.00 O ATOM 0 H GLY A 2 2.652 -20.012 -15.883 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.613 -17.919 -16.800 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.540 -19.546 -17.446 1.00 0.00 H new ATOM 27 N LYS A 3 1.668 -18.292 -17.631 1.00 0.00 N ATOM 28 CA LYS A 3 0.571 -17.875 -18.548 1.00 0.00 C ATOM 29 C LYS A 3 -0.129 -16.634 -17.987 1.00 0.00 C ATOM 30 O LYS A 3 -1.023 -16.086 -18.600 1.00 0.00 O ATOM 31 CB LYS A 3 -0.442 -19.014 -18.681 1.00 0.00 C ATOM 32 CG LYS A 3 -0.417 -19.557 -20.111 1.00 0.00 C ATOM 33 CD LYS A 3 -1.185 -20.878 -20.171 1.00 0.00 C ATOM 34 CE LYS A 3 -2.684 -20.604 -20.020 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.457 -21.638 -20.764 1.00 0.00 N ATOM 0 H LYS A 3 1.367 -18.562 -16.695 1.00 0.00 H new ATOM 0 HA LYS A 3 0.989 -17.641 -19.527 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.205 -19.810 -17.975 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.442 -18.656 -18.434 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.863 -18.834 -20.793 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.613 -19.708 -20.436 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.990 -21.382 -21.118 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.845 -21.545 -19.379 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.962 -20.616 -18.966 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.923 -19.611 -20.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.475 -21.451 -20.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.199 -21.606 -21.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.237 -22.579 -20.380 1.00 0.00 H new ATOM 49 N ALA A 4 0.265 -16.187 -16.825 1.00 0.00 N ATOM 50 CA ALA A 4 -0.390 -14.983 -16.236 1.00 0.00 C ATOM 51 C ALA A 4 0.668 -14.052 -15.639 1.00 0.00 C ATOM 52 O ALA A 4 0.352 -13.042 -15.043 1.00 0.00 O ATOM 53 CB ALA A 4 -1.361 -15.417 -15.136 1.00 0.00 C ATOM 0 H ALA A 4 1.007 -16.600 -16.261 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.933 -14.454 -17.019 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.840 -14.537 -14.705 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.121 -16.073 -15.560 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.815 -15.950 -14.358 1.00 0.00 H new ATOM 59 N GLU A 5 1.923 -14.379 -15.790 1.00 0.00 N ATOM 60 CA GLU A 5 2.991 -13.507 -15.226 1.00 0.00 C ATOM 61 C GLU A 5 3.126 -12.244 -16.079 1.00 0.00 C ATOM 62 O GLU A 5 2.798 -11.156 -15.651 1.00 0.00 O ATOM 63 CB GLU A 5 4.321 -14.265 -15.224 1.00 0.00 C ATOM 64 CG GLU A 5 4.622 -14.762 -13.808 1.00 0.00 C ATOM 65 CD GLU A 5 6.093 -15.174 -13.714 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.463 -16.132 -14.372 1.00 0.00 O ATOM 67 OE2 GLU A 5 6.824 -14.525 -12.984 1.00 0.00 O ATOM 0 H GLU A 5 2.254 -15.211 -16.279 1.00 0.00 H new ATOM 0 HA GLU A 5 2.729 -13.229 -14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.273 -15.107 -15.914 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.124 -13.614 -15.571 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.406 -13.978 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.980 -15.608 -13.564 1.00 0.00 H new ATOM 74 N ASN A 6 3.611 -12.380 -17.284 1.00 0.00 N ATOM 75 CA ASN A 6 3.770 -11.190 -18.166 1.00 0.00 C ATOM 76 C ASN A 6 2.416 -10.498 -18.347 1.00 0.00 C ATOM 77 O ASN A 6 2.343 -9.329 -18.670 1.00 0.00 O ATOM 78 CB ASN A 6 4.297 -11.638 -19.531 1.00 0.00 C ATOM 79 CG ASN A 6 5.023 -10.474 -20.208 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.229 -10.495 -20.351 1.00 0.00 O ATOM 81 ND2 ASN A 6 4.334 -9.451 -20.637 1.00 0.00 N ATOM 0 H ASN A 6 3.904 -13.266 -17.695 1.00 0.00 H new ATOM 0 HA ASN A 6 4.474 -10.493 -17.711 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.976 -12.482 -19.411 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.472 -11.979 -20.157 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.809 -8.671 -21.092 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.321 -9.432 -20.518 1.00 0.00 H new ATOM 88 N TYR A 7 1.343 -11.211 -18.143 1.00 0.00 N ATOM 89 CA TYR A 7 -0.006 -10.597 -18.308 1.00 0.00 C ATOM 90 C TYR A 7 -0.190 -9.471 -17.286 1.00 0.00 C ATOM 91 O TYR A 7 -0.181 -8.305 -17.625 1.00 0.00 O ATOM 92 CB TYR A 7 -1.078 -11.667 -18.091 1.00 0.00 C ATOM 93 CG TYR A 7 -2.433 -11.013 -17.952 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.762 -9.906 -18.744 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.360 -11.512 -17.029 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.018 -9.301 -18.615 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.616 -10.906 -16.899 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.945 -9.801 -17.693 1.00 0.00 C ATOM 99 OH TYR A 7 -6.183 -9.204 -17.564 1.00 0.00 O ATOM 0 H TYR A 7 1.341 -12.193 -17.869 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.098 -10.186 -19.313 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.085 -12.364 -18.929 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.850 -12.247 -17.197 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.047 -9.519 -19.455 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.106 -12.365 -16.417 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.272 -8.448 -19.227 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.330 -11.291 -16.186 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.704 -9.676 -16.881 1.00 0.00 H new ATOM 109 N GLU A 8 -0.364 -9.812 -16.039 1.00 0.00 N ATOM 110 CA GLU A 8 -0.557 -8.763 -14.998 1.00 0.00 C ATOM 111 C GLU A 8 0.630 -7.795 -15.005 1.00 0.00 C ATOM 112 O GLU A 8 0.470 -6.600 -15.149 1.00 0.00 O ATOM 113 CB GLU A 8 -0.661 -9.423 -13.622 1.00 0.00 C ATOM 114 CG GLU A 8 -2.131 -9.503 -13.204 1.00 0.00 C ATOM 115 CD GLU A 8 -2.219 -9.664 -11.686 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.599 -10.579 -11.169 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.906 -8.870 -11.063 1.00 0.00 O ATOM 0 H GLU A 8 -0.381 -10.772 -15.696 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.473 -8.212 -15.213 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.226 -10.422 -13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.094 -8.850 -12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.659 -8.602 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.616 -10.344 -13.699 1.00 0.00 H new ATOM 124 N LEU A 9 1.821 -8.304 -14.843 1.00 0.00 N ATOM 125 CA LEU A 9 3.017 -7.414 -14.829 1.00 0.00 C ATOM 126 C LEU A 9 2.989 -6.480 -16.042 1.00 0.00 C ATOM 127 O LEU A 9 3.560 -5.407 -16.019 1.00 0.00 O ATOM 128 CB LEU A 9 4.285 -8.269 -14.870 1.00 0.00 C ATOM 129 CG LEU A 9 4.973 -8.221 -13.504 1.00 0.00 C ATOM 130 CD1 LEU A 9 4.903 -9.603 -12.848 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.438 -7.817 -13.682 1.00 0.00 C ATOM 0 H LEU A 9 2.018 -9.297 -14.720 1.00 0.00 H new ATOM 0 HA LEU A 9 3.008 -6.814 -13.919 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.035 -9.298 -15.128 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.960 -7.902 -15.643 1.00 0.00 H new ATOM 0 HG LEU A 9 4.469 -7.491 -12.871 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.393 -9.569 -11.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.860 -9.892 -12.719 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.406 -10.333 -13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.927 -7.783 -12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.942 -8.546 -14.316 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.490 -6.833 -14.149 1.00 0.00 H new ATOM 143 N TYR A 10 2.335 -6.872 -17.100 1.00 0.00 N ATOM 144 CA TYR A 10 2.283 -5.997 -18.307 1.00 0.00 C ATOM 145 C TYR A 10 1.259 -4.880 -18.087 1.00 0.00 C ATOM 146 O TYR A 10 1.501 -3.734 -18.407 1.00 0.00 O ATOM 147 CB TYR A 10 1.879 -6.826 -19.527 1.00 0.00 C ATOM 148 CG TYR A 10 1.698 -5.914 -20.718 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.813 -5.492 -21.453 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.416 -5.488 -21.085 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.645 -4.646 -22.556 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.249 -4.641 -22.188 1.00 0.00 C ATOM 153 CZ TYR A 10 1.363 -4.220 -22.924 1.00 0.00 C ATOM 154 OH TYR A 10 1.198 -3.386 -24.011 1.00 0.00 O ATOM 0 H TYR A 10 1.835 -7.757 -17.182 1.00 0.00 H new ATOM 0 HA TYR A 10 3.267 -5.560 -18.477 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.643 -7.574 -19.741 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.953 -7.365 -19.324 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.802 -5.819 -21.169 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.444 -5.812 -20.518 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.505 -4.322 -23.123 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.740 -4.312 -22.471 1.00 0.00 H new ATOM 0 HH TYR A 10 0.246 -3.187 -24.129 1.00 0.00 H new ATOM 164 N GLN A 11 0.118 -5.205 -17.543 1.00 0.00 N ATOM 165 CA GLN A 11 -0.916 -4.158 -17.306 1.00 0.00 C ATOM 166 C GLN A 11 -0.326 -3.048 -16.431 1.00 0.00 C ATOM 167 O GLN A 11 -0.428 -1.879 -16.743 1.00 0.00 O ATOM 168 CB GLN A 11 -2.119 -4.781 -16.595 1.00 0.00 C ATOM 169 CG GLN A 11 -2.931 -5.611 -17.591 1.00 0.00 C ATOM 170 CD GLN A 11 -4.309 -4.976 -17.784 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.820 -4.929 -18.884 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.937 -4.482 -16.752 1.00 0.00 N ATOM 0 H GLN A 11 -0.142 -6.148 -17.253 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.235 -3.739 -18.261 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.782 -5.411 -15.772 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.744 -3.999 -16.163 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.408 -5.666 -18.546 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.038 -6.633 -17.227 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.508 -4.521 -15.827 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.857 -4.057 -16.870 1.00 0.00 H new ATOM 181 N VAL A 12 0.287 -3.407 -15.337 1.00 0.00 N ATOM 182 CA VAL A 12 0.881 -2.374 -14.443 1.00 0.00 C ATOM 183 C VAL A 12 2.009 -1.646 -15.176 1.00 0.00 C ATOM 184 O VAL A 12 2.262 -0.480 -14.948 1.00 0.00 O ATOM 185 CB VAL A 12 1.444 -3.048 -13.190 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.560 -4.014 -13.590 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.009 -1.980 -12.250 1.00 0.00 C ATOM 0 H VAL A 12 0.402 -4.371 -15.024 1.00 0.00 H new ATOM 0 HA VAL A 12 0.111 -1.657 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 12 0.651 -3.598 -12.684 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.962 -4.495 -12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.161 -4.773 -14.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.354 -3.464 -14.095 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.411 -2.458 -11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.803 -1.432 -12.757 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.216 -1.289 -11.966 1.00 0.00 H new ATOM 197 N GLU A 13 2.694 -2.326 -16.055 1.00 0.00 N ATOM 198 CA GLU A 13 3.809 -1.673 -16.798 1.00 0.00 C ATOM 199 C GLU A 13 3.259 -0.516 -17.636 1.00 0.00 C ATOM 200 O GLU A 13 3.968 0.413 -17.967 1.00 0.00 O ATOM 201 CB GLU A 13 4.476 -2.696 -17.720 1.00 0.00 C ATOM 202 CG GLU A 13 5.503 -3.508 -16.927 1.00 0.00 C ATOM 203 CD GLU A 13 6.889 -3.327 -17.546 1.00 0.00 C ATOM 204 OE1 GLU A 13 7.069 -2.364 -18.274 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.746 -4.153 -17.283 1.00 0.00 O ATOM 0 H GLU A 13 2.530 -3.305 -16.290 1.00 0.00 H new ATOM 0 HA GLU A 13 4.541 -1.290 -16.087 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.725 -3.360 -18.148 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.963 -2.188 -18.552 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.513 -3.183 -15.887 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.228 -4.563 -16.929 1.00 0.00 H new ATOM 212 N LEU A 14 2.000 -0.562 -17.981 1.00 0.00 N ATOM 213 CA LEU A 14 1.413 0.538 -18.796 1.00 0.00 C ATOM 214 C LEU A 14 1.287 1.798 -17.939 1.00 0.00 C ATOM 215 O LEU A 14 1.801 2.846 -18.279 1.00 0.00 O ATOM 216 CB LEU A 14 0.027 0.121 -19.294 1.00 0.00 C ATOM 217 CG LEU A 14 0.145 -0.450 -20.708 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.494 0.673 -21.685 1.00 0.00 C ATOM 219 CD2 LEU A 14 1.247 -1.511 -20.737 1.00 0.00 C ATOM 0 H LEU A 14 1.355 -1.312 -17.734 1.00 0.00 H new ATOM 0 HA LEU A 14 2.060 0.742 -19.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.403 -0.624 -18.624 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.646 0.979 -19.291 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.804 -0.901 -20.998 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.578 0.266 -22.693 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.290 1.430 -21.664 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.443 1.125 -21.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.333 -1.919 -21.744 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.195 -1.059 -20.447 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.999 -2.312 -20.041 1.00 0.00 H new ATOM 231 N GLY A 15 0.607 1.708 -16.829 1.00 0.00 N ATOM 232 CA GLY A 15 0.452 2.901 -15.952 1.00 0.00 C ATOM 233 C GLY A 15 1.807 3.268 -15.339 1.00 0.00 C ATOM 234 O GLY A 15 2.595 2.399 -15.024 1.00 0.00 O ATOM 0 H GLY A 15 0.152 0.859 -16.492 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.063 3.740 -16.528 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.271 2.694 -15.163 1.00 0.00 H new ATOM 238 N PRO A 16 2.037 4.548 -15.188 1.00 0.00 N ATOM 239 CA PRO A 16 3.291 5.067 -14.615 1.00 0.00 C ATOM 240 C PRO A 16 3.273 4.938 -13.089 1.00 0.00 C ATOM 241 O PRO A 16 4.173 5.388 -12.408 1.00 0.00 O ATOM 242 CB PRO A 16 3.295 6.539 -15.036 1.00 0.00 C ATOM 243 CG PRO A 16 1.821 6.916 -15.318 1.00 0.00 C ATOM 244 CD PRO A 16 1.070 5.597 -15.575 1.00 0.00 C ATOM 0 HA PRO A 16 4.175 4.528 -14.956 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.713 7.167 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.911 6.688 -15.923 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.389 7.449 -14.471 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.749 7.577 -16.181 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.158 5.536 -14.982 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.777 5.503 -16.621 1.00 0.00 H new ATOM 252 N GLY A 17 2.253 4.329 -12.549 1.00 0.00 N ATOM 253 CA GLY A 17 2.175 4.173 -11.068 1.00 0.00 C ATOM 254 C GLY A 17 3.436 3.468 -10.559 1.00 0.00 C ATOM 255 O GLY A 17 4.089 2.759 -11.299 1.00 0.00 O ATOM 0 H GLY A 17 1.470 3.933 -13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.076 5.149 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.290 3.596 -10.799 1.00 0.00 H new ATOM 259 N PRO A 18 3.738 3.684 -9.304 1.00 0.00 N ATOM 260 CA PRO A 18 4.917 3.083 -8.656 1.00 0.00 C ATOM 261 C PRO A 18 4.643 1.619 -8.300 1.00 0.00 C ATOM 262 O PRO A 18 5.445 0.745 -8.562 1.00 0.00 O ATOM 263 CB PRO A 18 5.099 3.928 -7.390 1.00 0.00 C ATOM 264 CG PRO A 18 3.723 4.573 -7.094 1.00 0.00 C ATOM 265 CD PRO A 18 2.932 4.550 -8.416 1.00 0.00 C ATOM 0 HA PRO A 18 5.802 3.080 -9.292 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.426 3.310 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.862 4.692 -7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.195 4.020 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.844 5.594 -6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.928 4.150 -8.273 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.820 5.552 -8.831 1.00 0.00 H new ATOM 273 N SER A 19 3.513 1.344 -7.703 1.00 0.00 N ATOM 274 CA SER A 19 3.194 -0.062 -7.331 1.00 0.00 C ATOM 275 C SER A 19 4.185 -0.547 -6.271 1.00 0.00 C ATOM 276 O SER A 19 5.384 -0.475 -6.452 1.00 0.00 O ATOM 277 CB SER A 19 3.295 -0.954 -8.570 1.00 0.00 C ATOM 278 OG SER A 19 2.009 -1.475 -8.881 1.00 0.00 O ATOM 0 H SER A 19 2.800 2.031 -7.458 1.00 0.00 H new ATOM 0 HA SER A 19 2.181 -0.110 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.682 -0.382 -9.413 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.996 -1.769 -8.389 1.00 0.00 H new ATOM 0 HG SER A 19 2.094 -2.411 -9.160 1.00 0.00 H new ATOM 284 N GLY A 20 3.695 -1.042 -5.168 1.00 0.00 N ATOM 285 CA GLY A 20 4.613 -1.530 -4.098 1.00 0.00 C ATOM 286 C GLY A 20 5.513 -0.383 -3.636 1.00 0.00 C ATOM 287 O GLY A 20 6.724 -0.463 -3.714 1.00 0.00 O ATOM 0 H GLY A 20 2.700 -1.130 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.036 -1.915 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.220 -2.354 -4.473 1.00 0.00 H new ATOM 291 N ASP A 21 4.935 0.683 -3.156 1.00 0.00 N ATOM 292 CA ASP A 21 5.757 1.834 -2.688 1.00 0.00 C ATOM 293 C ASP A 21 5.056 2.516 -1.514 1.00 0.00 C ATOM 294 O ASP A 21 4.312 3.461 -1.687 1.00 0.00 O ATOM 295 CB ASP A 21 5.929 2.834 -3.833 1.00 0.00 C ATOM 296 CG ASP A 21 7.393 3.272 -3.915 1.00 0.00 C ATOM 297 OD1 ASP A 21 8.177 2.541 -4.497 1.00 0.00 O ATOM 298 OD2 ASP A 21 7.704 4.331 -3.395 1.00 0.00 O ATOM 0 H ASP A 21 3.926 0.807 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 21 6.736 1.477 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.621 2.380 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.288 3.701 -3.672 1.00 0.00 H new ATOM 303 N MET A 22 5.283 2.045 -0.319 1.00 0.00 N ATOM 304 CA MET A 22 4.625 2.667 0.866 1.00 0.00 C ATOM 305 C MET A 22 5.683 3.307 1.766 1.00 0.00 C ATOM 306 O MET A 22 5.412 4.243 2.491 1.00 0.00 O ATOM 307 CB MET A 22 3.870 1.592 1.649 1.00 0.00 C ATOM 308 CG MET A 22 2.612 2.200 2.272 1.00 0.00 C ATOM 309 SD MET A 22 1.192 1.884 1.196 1.00 0.00 S ATOM 310 CE MET A 22 0.839 0.208 1.778 1.00 0.00 C ATOM 0 H MET A 22 5.896 1.256 -0.111 1.00 0.00 H new ATOM 0 HA MET A 22 3.926 3.434 0.532 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.599 0.769 0.988 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.510 1.178 2.428 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.437 1.770 3.258 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.744 3.273 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.030 -0.185 1.251 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.700 -0.433 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.635 0.230 2.848 1.00 0.00 H new ATOM 320 N ALA A 23 6.889 2.806 1.730 1.00 0.00 N ATOM 321 CA ALA A 23 7.961 3.388 2.588 1.00 0.00 C ATOM 322 C ALA A 23 9.003 4.087 1.712 1.00 0.00 C ATOM 323 O ALA A 23 9.847 4.812 2.196 1.00 0.00 O ATOM 324 CB ALA A 23 8.634 2.270 3.389 1.00 0.00 C ATOM 0 H ALA A 23 7.177 2.021 1.145 1.00 0.00 H new ATOM 0 HA ALA A 23 7.521 4.114 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.418 2.693 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.893 1.776 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.071 1.544 2.704 1.00 0.00 H new ATOM 330 N ALA A 24 8.951 3.874 0.426 1.00 0.00 N ATOM 331 CA ALA A 24 9.941 4.530 -0.476 1.00 0.00 C ATOM 332 C ALA A 24 9.639 6.027 -0.555 1.00 0.00 C ATOM 333 O ALA A 24 10.477 6.821 -0.934 1.00 0.00 O ATOM 334 CB ALA A 24 9.848 3.915 -1.874 1.00 0.00 C ATOM 0 H ALA A 24 8.268 3.276 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 24 10.947 4.380 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.572 4.396 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.062 2.848 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.844 4.063 -2.271 1.00 0.00 H new ATOM 340 N LYS A 25 8.446 6.419 -0.199 1.00 0.00 N ATOM 341 CA LYS A 25 8.088 7.865 -0.253 1.00 0.00 C ATOM 342 C LYS A 25 8.587 8.565 1.012 1.00 0.00 C ATOM 343 O LYS A 25 9.090 9.670 0.964 1.00 0.00 O ATOM 344 CB LYS A 25 6.567 8.007 -0.348 1.00 0.00 C ATOM 345 CG LYS A 25 6.214 9.003 -1.453 1.00 0.00 C ATOM 346 CD LYS A 25 7.026 10.287 -1.261 1.00 0.00 C ATOM 347 CE LYS A 25 6.141 11.497 -1.561 1.00 0.00 C ATOM 348 NZ LYS A 25 5.878 12.245 -0.299 1.00 0.00 N ATOM 0 H LYS A 25 7.704 5.800 0.127 1.00 0.00 H new ATOM 0 HA LYS A 25 8.554 8.322 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.113 7.038 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.163 8.347 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.426 8.569 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.148 9.227 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.403 10.343 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.893 10.284 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.629 12.147 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.201 11.172 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.077 12.893 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.651 11.573 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.723 12.792 -0.037 1.00 0.00 H new ATOM 362 N MET A 26 8.449 7.932 2.145 1.00 0.00 N ATOM 363 CA MET A 26 8.913 8.563 3.413 1.00 0.00 C ATOM 364 C MET A 26 10.442 8.631 3.426 1.00 0.00 C ATOM 365 O MET A 26 11.030 9.446 4.106 1.00 0.00 O ATOM 366 CB MET A 26 8.433 7.729 4.604 1.00 0.00 C ATOM 367 CG MET A 26 6.913 7.851 4.734 1.00 0.00 C ATOM 368 SD MET A 26 6.417 7.415 6.421 1.00 0.00 S ATOM 369 CE MET A 26 5.892 9.067 6.938 1.00 0.00 C ATOM 0 H MET A 26 8.035 7.005 2.247 1.00 0.00 H new ATOM 0 HA MET A 26 8.505 9.571 3.483 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.714 6.685 4.467 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.915 8.072 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.597 8.868 4.502 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.422 7.193 4.017 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.541 9.031 7.969 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.734 9.756 6.865 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.085 9.411 6.291 1.00 0.00 H new ATOM 379 N SER A 27 11.091 7.775 2.683 1.00 0.00 N ATOM 380 CA SER A 27 12.581 7.790 2.660 1.00 0.00 C ATOM 381 C SER A 27 13.074 8.762 1.585 1.00 0.00 C ATOM 382 O SER A 27 13.738 9.736 1.874 1.00 0.00 O ATOM 383 CB SER A 27 13.097 6.385 2.352 1.00 0.00 C ATOM 384 OG SER A 27 12.478 5.455 3.230 1.00 0.00 O ATOM 0 H SER A 27 10.654 7.067 2.092 1.00 0.00 H new ATOM 0 HA SER A 27 12.953 8.112 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.880 6.124 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.180 6.349 2.470 1.00 0.00 H new ATOM 0 HG SER A 27 11.580 5.242 2.901 1.00 0.00 H new ATOM 390 N LYS A 28 12.757 8.499 0.345 1.00 0.00 N ATOM 391 CA LYS A 28 13.210 9.405 -0.749 1.00 0.00 C ATOM 392 C LYS A 28 13.035 10.863 -0.321 1.00 0.00 C ATOM 393 O LYS A 28 13.784 11.732 -0.724 1.00 0.00 O ATOM 394 CB LYS A 28 12.379 9.140 -2.007 1.00 0.00 C ATOM 395 CG LYS A 28 13.173 9.570 -3.242 1.00 0.00 C ATOM 396 CD LYS A 28 12.915 8.586 -4.384 1.00 0.00 C ATOM 397 CE LYS A 28 13.687 9.029 -5.626 1.00 0.00 C ATOM 398 NZ LYS A 28 12.811 8.905 -6.824 1.00 0.00 N ATOM 0 H LYS A 28 12.204 7.697 0.043 1.00 0.00 H new ATOM 0 HA LYS A 28 14.263 9.216 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.127 8.081 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.438 9.689 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.881 10.576 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.237 9.603 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.224 7.583 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.848 8.540 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.021 10.060 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.580 8.417 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.335 9.206 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.513 7.915 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.972 9.507 -6.704 1.00 0.00 H new ATOM 412 N LYS A 29 12.054 11.140 0.491 1.00 0.00 N ATOM 413 CA LYS A 29 11.837 12.544 0.943 1.00 0.00 C ATOM 414 C LYS A 29 13.001 12.977 1.834 1.00 0.00 C ATOM 415 O LYS A 29 13.736 13.892 1.514 1.00 0.00 O ATOM 416 CB LYS A 29 10.529 12.631 1.731 1.00 0.00 C ATOM 417 CG LYS A 29 9.508 13.443 0.932 1.00 0.00 C ATOM 418 CD LYS A 29 9.655 14.926 1.274 1.00 0.00 C ATOM 419 CE LYS A 29 8.645 15.302 2.360 1.00 0.00 C ATOM 420 NZ LYS A 29 7.302 15.496 1.743 1.00 0.00 N ATOM 0 H LYS A 29 11.393 10.457 0.861 1.00 0.00 H new ATOM 0 HA LYS A 29 11.780 13.201 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.142 11.631 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.705 13.099 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.660 13.288 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.498 13.104 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.669 15.132 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.491 15.533 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.600 14.519 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.961 16.215 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.568 15.414 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.253 16.439 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.146 14.770 1.015 1.00 0.00 H new ATOM 434 N LYS A 30 13.176 12.329 2.953 1.00 0.00 N ATOM 435 CA LYS A 30 14.294 12.705 3.865 1.00 0.00 C ATOM 436 C LYS A 30 15.454 11.724 3.681 1.00 0.00 C ATOM 437 O LYS A 30 15.758 10.936 4.555 1.00 0.00 O ATOM 438 CB LYS A 30 13.808 12.653 5.315 1.00 0.00 C ATOM 439 CG LYS A 30 13.477 14.067 5.794 1.00 0.00 C ATOM 440 CD LYS A 30 12.497 13.993 6.968 1.00 0.00 C ATOM 441 CE LYS A 30 12.803 15.116 7.962 1.00 0.00 C ATOM 442 NZ LYS A 30 14.121 14.858 8.610 1.00 0.00 N ATOM 0 H LYS A 30 12.594 11.556 3.275 1.00 0.00 H new ATOM 0 HA LYS A 30 14.631 13.715 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.927 12.016 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.576 12.213 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.388 14.581 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.042 14.646 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.473 14.083 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.577 13.024 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.820 16.077 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.019 15.172 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.132 15.286 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.273 13.832 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.879 15.275 8.033 1.00 0.00 H new ATOM 456 N ALA A 31 16.105 11.766 2.552 1.00 0.00 N ATOM 457 CA ALA A 31 17.245 10.836 2.313 1.00 0.00 C ATOM 458 C ALA A 31 18.534 11.643 2.138 1.00 0.00 C ATOM 459 O ALA A 31 19.530 11.388 2.784 1.00 0.00 O ATOM 460 CB ALA A 31 16.980 10.018 1.047 1.00 0.00 C ATOM 0 H ALA A 31 15.897 12.404 1.784 1.00 0.00 H new ATOM 0 HA ALA A 31 17.350 10.164 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.814 9.338 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.062 9.443 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.875 10.690 0.195 1.00 0.00 H new ATOM 466 N GLY A 32 18.521 12.616 1.269 1.00 0.00 N ATOM 467 CA GLY A 32 19.745 13.438 1.052 1.00 0.00 C ATOM 468 C GLY A 32 19.385 14.683 0.239 1.00 0.00 C ATOM 469 O GLY A 32 19.846 15.773 0.517 1.00 0.00 O ATOM 0 H GLY A 32 17.716 12.877 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.176 13.728 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 32 20.500 12.853 0.527 1.00 0.00 H new ATOM 473 N ARG A 33 18.564 14.530 -0.764 1.00 0.00 N ATOM 474 CA ARG A 33 18.176 15.705 -1.594 1.00 0.00 C ATOM 475 C ARG A 33 16.743 15.519 -2.100 1.00 0.00 C ATOM 476 O ARG A 33 16.229 14.418 -2.147 1.00 0.00 O ATOM 477 CB ARG A 33 19.126 15.824 -2.788 1.00 0.00 C ATOM 478 CG ARG A 33 18.962 14.604 -3.696 1.00 0.00 C ATOM 479 CD ARG A 33 20.329 13.958 -3.931 1.00 0.00 C ATOM 480 NE ARG A 33 20.236 12.492 -3.678 1.00 0.00 N ATOM 481 CZ ARG A 33 20.898 11.958 -2.688 1.00 0.00 C ATOM 482 NH1 ARG A 33 21.144 12.658 -1.615 1.00 0.00 N ATOM 483 NH2 ARG A 33 21.313 10.723 -2.772 1.00 0.00 N ATOM 0 H ARG A 33 18.146 13.643 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 33 18.236 16.611 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.914 16.736 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 33 20.157 15.896 -2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.282 13.885 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.520 14.901 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.659 14.141 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 33 21.073 14.405 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 33 19.655 11.906 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 33 20.819 13.623 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.661 12.241 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.120 10.176 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.830 10.305 -1.999 1.00 0.00 H new ATOM 497 N GLY A 34 16.094 16.586 -2.479 1.00 0.00 N ATOM 498 CA GLY A 34 14.696 16.469 -2.981 1.00 0.00 C ATOM 499 C GLY A 34 14.560 17.235 -4.298 1.00 0.00 C ATOM 500 O GLY A 34 13.762 18.157 -4.346 1.00 0.00 O ATOM 501 OXT GLY A 34 15.254 16.886 -5.239 1.00 0.00 O ATOM 0 H GLY A 34 16.472 17.533 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.439 15.420 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.999 16.867 -2.243 1.00 0.00 H new TER 505 GLY A 34