USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=5 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 -133:sc= 0 (180deg=-0.183) 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= -0.322 K(o=-0.32,f=-2!) 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= -0.299 K(o=-0.3,f=-2.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.279 -24.043 -11.857 1.00 0.00 N ATOM 2 CA MET A 1 2.420 -23.377 -11.170 1.00 0.00 C ATOM 3 C MET A 1 2.339 -21.866 -11.400 1.00 0.00 C ATOM 4 O MET A 1 2.211 -21.094 -10.471 1.00 0.00 O ATOM 5 CB MET A 1 3.738 -23.911 -11.736 1.00 0.00 C ATOM 6 CG MET A 1 4.674 -24.282 -10.586 1.00 0.00 C ATOM 7 SD MET A 1 4.198 -25.896 -9.917 1.00 0.00 S ATOM 8 CE MET A 1 5.024 -26.914 -11.165 1.00 0.00 C ATOM 0 H1 MET A 1 1.332 -25.070 -11.702 1.00 0.00 H new ATOM 0 H2 MET A 1 0.383 -23.681 -11.473 1.00 0.00 H new ATOM 0 H3 MET A 1 1.324 -23.844 -12.877 1.00 0.00 H new ATOM 0 HA MET A 1 2.374 -23.585 -10.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.550 -24.783 -12.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.205 -23.158 -12.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.705 -24.312 -10.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.626 -23.524 -9.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.341 -27.688 -11.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.322 -26.288 -12.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.907 -27.380 -10.728 1.00 0.00 H new ATOM 20 N GLY A 2 2.413 -21.439 -12.631 1.00 0.00 N ATOM 21 CA GLY A 2 2.340 -19.979 -12.919 1.00 0.00 C ATOM 22 C GLY A 2 1.035 -19.668 -13.655 1.00 0.00 C ATOM 23 O GLY A 2 0.166 -20.509 -13.770 1.00 0.00 O ATOM 0 H GLY A 2 2.521 -22.038 -13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.390 -19.411 -11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.193 -19.674 -13.525 1.00 0.00 H new ATOM 27 N LYS A 3 0.897 -18.470 -14.158 1.00 0.00 N ATOM 28 CA LYS A 3 -0.341 -18.096 -14.892 1.00 0.00 C ATOM 29 C LYS A 3 -0.475 -16.579 -14.911 1.00 0.00 C ATOM 30 O LYS A 3 -0.434 -15.920 -13.890 1.00 0.00 O ATOM 31 CB LYS A 3 -1.569 -18.691 -14.211 1.00 0.00 C ATOM 32 CG LYS A 3 -2.029 -19.934 -14.977 1.00 0.00 C ATOM 33 CD LYS A 3 -2.736 -20.895 -14.021 1.00 0.00 C ATOM 34 CE LYS A 3 -2.041 -22.259 -14.062 1.00 0.00 C ATOM 35 NZ LYS A 3 -2.993 -23.285 -14.574 1.00 0.00 N ATOM 0 H LYS A 3 1.596 -17.731 -14.090 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.275 -18.484 -15.908 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.334 -18.953 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.372 -17.954 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.703 -19.647 -15.784 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.173 -20.427 -15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.717 -20.496 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.784 -21.000 -14.303 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.161 -22.212 -14.703 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.695 -22.533 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.522 -24.212 -14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.820 -23.336 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.302 -23.024 -15.532 1.00 0.00 H new ATOM 49 N ALA A 4 -0.642 -16.030 -16.070 1.00 0.00 N ATOM 50 CA ALA A 4 -0.790 -14.552 -16.194 1.00 0.00 C ATOM 51 C ALA A 4 0.440 -13.857 -15.607 1.00 0.00 C ATOM 52 O ALA A 4 0.356 -12.759 -15.091 1.00 0.00 O ATOM 53 CB ALA A 4 -2.041 -14.103 -15.438 1.00 0.00 C ATOM 0 H ALA A 4 -0.684 -16.542 -16.951 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.883 -14.285 -17.247 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.152 -13.022 -15.527 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.918 -14.594 -15.861 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.947 -14.373 -14.386 1.00 0.00 H new ATOM 59 N GLU A 5 1.584 -14.481 -15.681 1.00 0.00 N ATOM 60 CA GLU A 5 2.814 -13.850 -15.128 1.00 0.00 C ATOM 61 C GLU A 5 3.104 -12.555 -15.891 1.00 0.00 C ATOM 62 O GLU A 5 2.963 -11.468 -15.365 1.00 0.00 O ATOM 63 CB GLU A 5 3.996 -14.809 -15.285 1.00 0.00 C ATOM 64 CG GLU A 5 4.146 -15.649 -14.015 1.00 0.00 C ATOM 65 CD GLU A 5 5.204 -15.017 -13.108 1.00 0.00 C ATOM 66 OE1 GLU A 5 5.623 -13.909 -13.401 1.00 0.00 O ATOM 67 OE2 GLU A 5 5.578 -15.652 -12.135 1.00 0.00 O ATOM 0 H GLU A 5 1.719 -15.401 -16.101 1.00 0.00 H new ATOM 0 HA GLU A 5 2.666 -13.628 -14.071 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.839 -15.458 -16.146 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.911 -14.247 -15.472 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.192 -15.710 -13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.434 -16.668 -14.272 1.00 0.00 H new ATOM 74 N ASN A 6 3.504 -12.661 -17.128 1.00 0.00 N ATOM 75 CA ASN A 6 3.800 -11.438 -17.925 1.00 0.00 C ATOM 76 C ASN A 6 2.498 -10.681 -18.198 1.00 0.00 C ATOM 77 O ASN A 6 2.508 -9.532 -18.592 1.00 0.00 O ATOM 78 CB ASN A 6 4.441 -11.841 -19.254 1.00 0.00 C ATOM 79 CG ASN A 6 5.834 -11.219 -19.362 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.105 -10.198 -18.761 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.735 -11.794 -20.111 1.00 0.00 N ATOM 0 H ASN A 6 3.639 -13.543 -17.622 1.00 0.00 H new ATOM 0 HA ASN A 6 4.484 -10.797 -17.369 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.510 -12.927 -19.321 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.818 -11.509 -20.085 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.667 -11.386 -20.192 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.508 -12.651 -20.615 1.00 0.00 H new ATOM 88 N TYR A 7 1.378 -11.317 -17.993 1.00 0.00 N ATOM 89 CA TYR A 7 0.074 -10.637 -18.242 1.00 0.00 C ATOM 90 C TYR A 7 -0.091 -9.463 -17.275 1.00 0.00 C ATOM 91 O TYR A 7 -0.119 -8.315 -17.672 1.00 0.00 O ATOM 92 CB TYR A 7 -1.067 -11.633 -18.030 1.00 0.00 C ATOM 93 CG TYR A 7 -2.387 -10.898 -18.032 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.760 -10.134 -19.143 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.235 -10.980 -16.920 1.00 0.00 C ATOM 96 CE1 TYR A 7 -3.983 -9.452 -19.144 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.458 -10.299 -16.923 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.833 -9.535 -18.035 1.00 0.00 C ATOM 99 OH TYR A 7 -6.039 -8.863 -18.036 1.00 0.00 O ATOM 0 H TYR A 7 1.308 -12.280 -17.663 1.00 0.00 H new ATOM 0 HA TYR A 7 0.052 -10.266 -19.267 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.057 -12.386 -18.818 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.933 -12.159 -17.085 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.105 -10.070 -19.999 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.946 -11.568 -16.061 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.271 -8.861 -20.001 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.113 -10.363 -16.067 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.506 -9.028 -17.191 1.00 0.00 H new ATOM 109 N GLU A 8 -0.207 -9.743 -16.006 1.00 0.00 N ATOM 110 CA GLU A 8 -0.379 -8.647 -15.012 1.00 0.00 C ATOM 111 C GLU A 8 0.842 -7.724 -15.044 1.00 0.00 C ATOM 112 O GLU A 8 0.725 -6.522 -14.909 1.00 0.00 O ATOM 113 CB GLU A 8 -0.523 -9.250 -13.615 1.00 0.00 C ATOM 114 CG GLU A 8 -1.981 -9.146 -13.160 1.00 0.00 C ATOM 115 CD GLU A 8 -2.027 -8.882 -11.654 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.013 -9.083 -11.007 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.075 -8.483 -11.174 1.00 0.00 O ATOM 0 H GLU A 8 -0.190 -10.685 -15.614 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.272 -8.072 -15.258 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.207 -10.293 -13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.126 -8.727 -12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.484 -8.342 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.513 -10.068 -13.395 1.00 0.00 H new ATOM 124 N LEU A 9 2.012 -8.272 -15.219 1.00 0.00 N ATOM 125 CA LEU A 9 3.236 -7.423 -15.257 1.00 0.00 C ATOM 126 C LEU A 9 3.121 -6.407 -16.397 1.00 0.00 C ATOM 127 O LEU A 9 3.721 -5.351 -16.365 1.00 0.00 O ATOM 128 CB LEU A 9 4.463 -8.308 -15.486 1.00 0.00 C ATOM 129 CG LEU A 9 5.717 -7.582 -14.998 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.249 -8.269 -13.739 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.786 -7.625 -16.092 1.00 0.00 C ATOM 0 H LEU A 9 2.174 -9.272 -15.337 1.00 0.00 H new ATOM 0 HA LEU A 9 3.339 -6.894 -14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.347 -9.252 -14.954 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.558 -8.548 -16.545 1.00 0.00 H new ATOM 0 HG LEU A 9 5.471 -6.545 -14.768 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.143 -7.751 -13.392 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.487 -8.241 -12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.496 -9.306 -13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.681 -7.108 -15.746 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.031 -8.662 -16.320 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.408 -7.136 -16.990 1.00 0.00 H new ATOM 143 N TYR A 10 2.354 -6.720 -17.406 1.00 0.00 N ATOM 144 CA TYR A 10 2.203 -5.776 -18.551 1.00 0.00 C ATOM 145 C TYR A 10 1.193 -4.683 -18.188 1.00 0.00 C ATOM 146 O TYR A 10 1.452 -3.507 -18.347 1.00 0.00 O ATOM 147 CB TYR A 10 1.706 -6.544 -19.776 1.00 0.00 C ATOM 148 CG TYR A 10 1.517 -5.595 -20.936 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.277 -4.422 -21.015 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.579 -5.890 -21.933 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.099 -3.544 -22.091 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.403 -5.013 -23.009 1.00 0.00 C ATOM 153 CZ TYR A 10 1.164 -3.839 -23.090 1.00 0.00 C ATOM 154 OH TYR A 10 0.989 -2.976 -24.151 1.00 0.00 O ATOM 0 H TYR A 10 1.825 -7.588 -17.487 1.00 0.00 H new ATOM 0 HA TYR A 10 3.166 -5.316 -18.773 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.422 -7.321 -20.044 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.765 -7.043 -19.546 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.000 -4.194 -20.246 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.008 -6.794 -21.871 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.684 -2.638 -22.150 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.320 -5.241 -23.778 1.00 0.00 H new ATOM 0 HH TYR A 10 0.303 -3.333 -24.753 1.00 0.00 H new ATOM 164 N GLN A 11 0.043 -5.062 -17.703 1.00 0.00 N ATOM 165 CA GLN A 11 -0.985 -4.046 -17.334 1.00 0.00 C ATOM 166 C GLN A 11 -0.388 -3.038 -16.349 1.00 0.00 C ATOM 167 O GLN A 11 -0.551 -1.842 -16.496 1.00 0.00 O ATOM 168 CB GLN A 11 -2.179 -4.746 -16.679 1.00 0.00 C ATOM 169 CG GLN A 11 -3.141 -5.241 -17.760 1.00 0.00 C ATOM 170 CD GLN A 11 -4.583 -4.967 -17.326 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.829 -4.608 -16.192 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.552 -5.124 -18.186 1.00 0.00 N ATOM 0 H GLN A 11 -0.230 -6.032 -17.546 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.312 -3.523 -18.233 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.834 -5.584 -16.073 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.693 -4.058 -16.008 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.933 -4.739 -18.705 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.997 -6.308 -17.928 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.345 -5.425 -19.138 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.516 -4.945 -17.906 1.00 0.00 H new ATOM 181 N VAL A 12 0.296 -3.508 -15.344 1.00 0.00 N ATOM 182 CA VAL A 12 0.897 -2.575 -14.348 1.00 0.00 C ATOM 183 C VAL A 12 1.937 -1.685 -15.032 1.00 0.00 C ATOM 184 O VAL A 12 2.091 -0.527 -14.697 1.00 0.00 O ATOM 185 CB VAL A 12 1.570 -3.381 -13.236 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.798 -4.102 -13.796 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.002 -2.435 -12.113 1.00 0.00 C ATOM 0 H VAL A 12 0.466 -4.498 -15.168 1.00 0.00 H new ATOM 0 HA VAL A 12 0.112 -1.949 -13.923 1.00 0.00 H new ATOM 0 HB VAL A 12 0.867 -4.116 -12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.276 -4.676 -13.002 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.491 -4.775 -14.596 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.503 -3.369 -14.189 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.482 -3.008 -11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.705 -1.700 -12.506 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.127 -1.922 -11.713 1.00 0.00 H new ATOM 197 N GLU A 13 2.656 -2.214 -15.985 1.00 0.00 N ATOM 198 CA GLU A 13 3.687 -1.393 -16.681 1.00 0.00 C ATOM 199 C GLU A 13 3.033 -0.148 -17.286 1.00 0.00 C ATOM 200 O GLU A 13 3.458 0.965 -17.046 1.00 0.00 O ATOM 201 CB GLU A 13 4.335 -2.222 -17.794 1.00 0.00 C ATOM 202 CG GLU A 13 5.806 -2.468 -17.455 1.00 0.00 C ATOM 203 CD GLU A 13 6.693 -1.846 -18.535 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.279 -0.857 -19.117 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.772 -2.370 -18.763 1.00 0.00 O ATOM 0 H GLU A 13 2.574 -3.177 -16.311 1.00 0.00 H new ATOM 0 HA GLU A 13 4.449 -1.088 -15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.813 -3.172 -17.906 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.253 -1.699 -18.747 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.043 -2.036 -16.483 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.999 -3.538 -17.384 1.00 0.00 H new ATOM 212 N LEU A 14 2.007 -0.323 -18.074 1.00 0.00 N ATOM 213 CA LEU A 14 1.336 0.854 -18.697 1.00 0.00 C ATOM 214 C LEU A 14 0.229 1.366 -17.773 1.00 0.00 C ATOM 215 O LEU A 14 -0.726 1.973 -18.211 1.00 0.00 O ATOM 216 CB LEU A 14 0.731 0.446 -20.040 1.00 0.00 C ATOM 217 CG LEU A 14 -0.365 -0.596 -19.811 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.705 -0.047 -20.305 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.024 -1.873 -20.580 1.00 0.00 C ATOM 0 H LEU A 14 1.605 -1.229 -18.313 1.00 0.00 H new ATOM 0 HA LEU A 14 2.070 1.645 -18.854 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.318 1.319 -20.545 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.505 0.038 -20.691 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.435 -0.820 -18.746 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.485 -0.790 -20.141 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.950 0.863 -19.757 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.636 0.178 -21.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.805 -2.616 -20.417 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.047 -1.649 -21.644 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.930 -2.266 -20.228 1.00 0.00 H new ATOM 231 N GLY A 15 0.348 1.125 -16.497 1.00 0.00 N ATOM 232 CA GLY A 15 -0.698 1.601 -15.548 1.00 0.00 C ATOM 233 C GLY A 15 -0.846 3.119 -15.670 1.00 0.00 C ATOM 234 O GLY A 15 -1.829 3.604 -16.193 1.00 0.00 O ATOM 0 H GLY A 15 1.124 0.619 -16.070 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.649 1.114 -15.764 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.427 1.332 -14.527 1.00 0.00 H new ATOM 238 N PRO A 16 0.143 3.824 -15.183 1.00 0.00 N ATOM 239 CA PRO A 16 0.164 5.296 -15.218 1.00 0.00 C ATOM 240 C PRO A 16 0.563 5.789 -16.612 1.00 0.00 C ATOM 241 O PRO A 16 -0.162 6.526 -17.250 1.00 0.00 O ATOM 242 CB PRO A 16 1.232 5.664 -14.184 1.00 0.00 C ATOM 243 CG PRO A 16 2.142 4.421 -14.034 1.00 0.00 C ATOM 244 CD PRO A 16 1.331 3.216 -14.549 1.00 0.00 C ATOM 0 HA PRO A 16 -0.805 5.745 -15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.808 6.530 -14.512 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.775 5.928 -13.230 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.061 4.543 -14.607 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.432 4.276 -12.993 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.905 2.625 -15.263 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.050 2.548 -13.735 1.00 0.00 H new ATOM 252 N GLY A 17 1.711 5.389 -17.089 1.00 0.00 N ATOM 253 CA GLY A 17 2.153 5.836 -18.440 1.00 0.00 C ATOM 254 C GLY A 17 2.858 7.192 -18.326 1.00 0.00 C ATOM 255 O GLY A 17 2.952 7.752 -17.252 1.00 0.00 O ATOM 0 H GLY A 17 2.361 4.772 -16.601 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.828 5.099 -18.876 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.295 5.916 -19.107 1.00 0.00 H new ATOM 259 N PRO A 18 3.334 7.678 -19.445 1.00 0.00 N ATOM 260 CA PRO A 18 4.038 8.969 -19.513 1.00 0.00 C ATOM 261 C PRO A 18 3.036 10.126 -19.492 1.00 0.00 C ATOM 262 O PRO A 18 3.308 11.188 -18.969 1.00 0.00 O ATOM 263 CB PRO A 18 4.773 8.906 -20.854 1.00 0.00 C ATOM 264 CG PRO A 18 4.016 7.868 -21.718 1.00 0.00 C ATOM 265 CD PRO A 18 3.213 6.984 -20.744 1.00 0.00 C ATOM 0 HA PRO A 18 4.711 9.136 -18.672 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.782 9.882 -21.338 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.813 8.610 -20.714 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.353 8.364 -22.427 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.714 7.267 -22.301 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.171 6.895 -21.053 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.619 5.974 -20.696 1.00 0.00 H new ATOM 273 N SER A 19 1.876 9.928 -20.058 1.00 0.00 N ATOM 274 CA SER A 19 0.858 11.015 -20.072 1.00 0.00 C ATOM 275 C SER A 19 1.440 12.244 -20.775 1.00 0.00 C ATOM 276 O SER A 19 0.950 13.346 -20.625 1.00 0.00 O ATOM 277 CB SER A 19 0.478 11.376 -18.636 1.00 0.00 C ATOM 278 OG SER A 19 0.106 10.195 -17.938 1.00 0.00 O ATOM 0 H SER A 19 1.590 9.060 -20.511 1.00 0.00 H new ATOM 0 HA SER A 19 -0.031 10.678 -20.606 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.318 11.859 -18.136 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.347 12.089 -18.634 1.00 0.00 H new ATOM 0 HG SER A 19 -0.137 10.423 -17.016 1.00 0.00 H new ATOM 284 N GLY A 20 2.480 12.063 -21.541 1.00 0.00 N ATOM 285 CA GLY A 20 3.093 13.219 -22.254 1.00 0.00 C ATOM 286 C GLY A 20 3.358 14.353 -21.262 1.00 0.00 C ATOM 287 O GLY A 20 3.237 15.517 -21.587 1.00 0.00 O ATOM 0 H GLY A 20 2.932 11.164 -21.704 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.025 12.913 -22.729 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.429 13.564 -23.047 1.00 0.00 H new ATOM 291 N ASP A 21 3.721 14.024 -20.052 1.00 0.00 N ATOM 292 CA ASP A 21 3.993 15.084 -19.043 1.00 0.00 C ATOM 293 C ASP A 21 5.123 15.987 -19.545 1.00 0.00 C ATOM 294 O ASP A 21 4.894 17.095 -19.987 1.00 0.00 O ATOM 295 CB ASP A 21 4.409 14.435 -17.721 1.00 0.00 C ATOM 296 CG ASP A 21 3.240 14.487 -16.737 1.00 0.00 C ATOM 297 OD1 ASP A 21 2.882 15.580 -16.330 1.00 0.00 O ATOM 298 OD2 ASP A 21 2.722 13.433 -16.405 1.00 0.00 O ATOM 0 H ASP A 21 3.841 13.067 -19.720 1.00 0.00 H new ATOM 0 HA ASP A 21 3.093 15.679 -18.889 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.710 13.401 -17.890 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.272 14.954 -17.304 1.00 0.00 H new ATOM 303 N MET A 22 6.341 15.520 -19.484 1.00 0.00 N ATOM 304 CA MET A 22 7.483 16.349 -19.959 1.00 0.00 C ATOM 305 C MET A 22 7.324 17.781 -19.443 1.00 0.00 C ATOM 306 O MET A 22 7.551 18.738 -20.157 1.00 0.00 O ATOM 307 CB MET A 22 7.505 16.359 -21.489 1.00 0.00 C ATOM 308 CG MET A 22 7.539 14.920 -22.008 1.00 0.00 C ATOM 309 SD MET A 22 9.077 14.124 -21.482 1.00 0.00 S ATOM 310 CE MET A 22 8.344 12.575 -20.897 1.00 0.00 C ATOM 0 H MET A 22 6.593 14.599 -19.125 1.00 0.00 H new ATOM 0 HA MET A 22 8.416 15.929 -19.584 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.625 16.875 -21.873 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.377 16.907 -21.847 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.681 14.365 -21.628 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.467 14.913 -23.096 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.130 11.920 -20.521 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.635 12.787 -20.097 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.826 12.084 -21.721 1.00 0.00 H new ATOM 320 N ALA A 23 6.937 17.937 -18.207 1.00 0.00 N ATOM 321 CA ALA A 23 6.765 19.306 -17.647 1.00 0.00 C ATOM 322 C ALA A 23 6.557 19.216 -16.134 1.00 0.00 C ATOM 323 O ALA A 23 7.311 19.775 -15.360 1.00 0.00 O ATOM 324 CB ALA A 23 5.546 19.972 -18.290 1.00 0.00 C ATOM 0 H ALA A 23 6.732 17.175 -17.561 1.00 0.00 H new ATOM 0 HA ALA A 23 7.656 19.898 -17.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.420 20.974 -17.880 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.693 20.037 -19.368 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.655 19.380 -18.081 1.00 0.00 H new ATOM 330 N ALA A 24 5.542 18.517 -15.705 1.00 0.00 N ATOM 331 CA ALA A 24 5.288 18.393 -14.241 1.00 0.00 C ATOM 332 C ALA A 24 6.531 17.824 -13.555 1.00 0.00 C ATOM 333 O ALA A 24 6.877 18.210 -12.457 1.00 0.00 O ATOM 334 CB ALA A 24 4.102 17.458 -14.007 1.00 0.00 C ATOM 0 H ALA A 24 4.878 18.027 -16.304 1.00 0.00 H new ATOM 0 HA ALA A 24 5.062 19.375 -13.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.916 17.367 -12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.217 17.864 -14.496 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.326 16.475 -14.421 1.00 0.00 H new ATOM 340 N LYS A 25 7.203 16.905 -14.194 1.00 0.00 N ATOM 341 CA LYS A 25 8.421 16.312 -13.576 1.00 0.00 C ATOM 342 C LYS A 25 9.630 17.198 -13.884 1.00 0.00 C ATOM 343 O LYS A 25 10.626 17.169 -13.191 1.00 0.00 O ATOM 344 CB LYS A 25 8.655 14.914 -14.149 1.00 0.00 C ATOM 345 CG LYS A 25 9.134 13.979 -13.037 1.00 0.00 C ATOM 346 CD LYS A 25 7.926 13.343 -12.348 1.00 0.00 C ATOM 347 CE LYS A 25 7.762 11.899 -12.830 1.00 0.00 C ATOM 348 NZ LYS A 25 6.816 11.180 -11.933 1.00 0.00 N ATOM 0 H LYS A 25 6.961 16.540 -15.115 1.00 0.00 H new ATOM 0 HA LYS A 25 8.285 16.244 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.734 14.531 -14.589 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.396 14.956 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.779 13.204 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.729 14.534 -12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.059 13.363 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.025 13.916 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.389 11.886 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.728 11.395 -12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.705 10.199 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.189 11.181 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.892 11.657 -11.949 1.00 0.00 H new ATOM 362 N MET A 26 9.550 17.987 -14.921 1.00 0.00 N ATOM 363 CA MET A 26 10.695 18.874 -15.271 1.00 0.00 C ATOM 364 C MET A 26 10.902 19.901 -14.157 1.00 0.00 C ATOM 365 O MET A 26 12.006 20.117 -13.697 1.00 0.00 O ATOM 366 CB MET A 26 10.396 19.601 -16.585 1.00 0.00 C ATOM 367 CG MET A 26 10.149 18.574 -17.693 1.00 0.00 C ATOM 368 SD MET A 26 11.713 18.192 -18.521 1.00 0.00 S ATOM 369 CE MET A 26 11.170 18.558 -20.207 1.00 0.00 C ATOM 0 H MET A 26 8.742 18.055 -15.540 1.00 0.00 H new ATOM 0 HA MET A 26 11.597 18.274 -15.386 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.522 20.242 -16.467 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.232 20.247 -16.853 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.717 17.666 -17.272 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.430 18.965 -18.413 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.994 18.387 -20.900 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.335 17.909 -20.469 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.854 19.599 -20.269 1.00 0.00 H new ATOM 379 N SER A 27 9.850 20.535 -13.716 1.00 0.00 N ATOM 380 CA SER A 27 9.990 21.548 -12.632 1.00 0.00 C ATOM 381 C SER A 27 10.162 20.838 -11.287 1.00 0.00 C ATOM 382 O SER A 27 11.021 21.180 -10.501 1.00 0.00 O ATOM 383 CB SER A 27 8.737 22.423 -12.587 1.00 0.00 C ATOM 384 OG SER A 27 8.638 23.164 -13.797 1.00 0.00 O ATOM 0 H SER A 27 8.900 20.395 -14.059 1.00 0.00 H new ATOM 0 HA SER A 27 10.863 22.170 -12.829 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.851 21.803 -12.453 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.783 23.101 -11.735 1.00 0.00 H new ATOM 0 HG SER A 27 7.835 23.725 -13.772 1.00 0.00 H new ATOM 390 N LYS A 28 9.349 19.852 -11.017 1.00 0.00 N ATOM 391 CA LYS A 28 9.468 19.127 -9.721 1.00 0.00 C ATOM 392 C LYS A 28 10.943 18.840 -9.430 1.00 0.00 C ATOM 393 O LYS A 28 11.361 18.789 -8.289 1.00 0.00 O ATOM 394 CB LYS A 28 8.695 17.807 -9.799 1.00 0.00 C ATOM 395 CG LYS A 28 7.629 17.774 -8.701 1.00 0.00 C ATOM 396 CD LYS A 28 8.142 16.956 -7.514 1.00 0.00 C ATOM 397 CE LYS A 28 8.544 17.899 -6.378 1.00 0.00 C ATOM 398 NZ LYS A 28 8.367 17.208 -5.071 1.00 0.00 N ATOM 0 H LYS A 28 8.610 19.519 -11.636 1.00 0.00 H new ATOM 0 HA LYS A 28 9.054 19.742 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.227 17.705 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.378 16.966 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.390 18.788 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.708 17.336 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.369 16.267 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.996 16.351 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.582 18.210 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.935 18.803 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.640 17.849 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.371 16.933 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.966 16.358 -5.044 1.00 0.00 H new ATOM 412 N LYS A 29 11.736 18.652 -10.449 1.00 0.00 N ATOM 413 CA LYS A 29 13.183 18.370 -10.223 1.00 0.00 C ATOM 414 C LYS A 29 13.878 19.641 -9.730 1.00 0.00 C ATOM 415 O LYS A 29 14.223 19.761 -8.570 1.00 0.00 O ATOM 416 CB LYS A 29 13.828 17.912 -11.532 1.00 0.00 C ATOM 417 CG LYS A 29 15.334 17.745 -11.323 1.00 0.00 C ATOM 418 CD LYS A 29 15.691 16.258 -11.330 1.00 0.00 C ATOM 419 CE LYS A 29 15.639 15.728 -12.764 1.00 0.00 C ATOM 420 NZ LYS A 29 14.823 14.482 -12.804 1.00 0.00 N ATOM 0 H LYS A 29 11.446 18.681 -11.426 1.00 0.00 H new ATOM 0 HA LYS A 29 13.286 17.584 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.388 16.969 -11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.637 18.641 -12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.880 18.264 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.632 18.197 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.687 16.110 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.996 15.703 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.207 16.479 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.647 15.527 -13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.787 14.121 -13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.253 13.765 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.858 14.688 -12.476 1.00 0.00 H new ATOM 434 N LYS A 30 14.088 20.590 -10.601 1.00 0.00 N ATOM 435 CA LYS A 30 14.760 21.851 -10.178 1.00 0.00 C ATOM 436 C LYS A 30 13.707 22.937 -9.952 1.00 0.00 C ATOM 437 O LYS A 30 13.641 23.912 -10.675 1.00 0.00 O ATOM 438 CB LYS A 30 15.734 22.303 -11.268 1.00 0.00 C ATOM 439 CG LYS A 30 17.161 21.926 -10.866 1.00 0.00 C ATOM 440 CD LYS A 30 18.117 23.055 -11.255 1.00 0.00 C ATOM 441 CE LYS A 30 18.318 23.988 -10.058 1.00 0.00 C ATOM 442 NZ LYS A 30 17.665 25.298 -10.337 1.00 0.00 N ATOM 0 H LYS A 30 13.824 20.547 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 30 15.309 21.677 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.477 21.834 -12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.659 23.381 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.212 21.746 -9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.456 21.000 -11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.074 22.642 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.714 23.612 -12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.893 23.541 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.382 24.132 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.800 25.933 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.090 25.724 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.648 25.152 -10.496 1.00 0.00 H new ATOM 456 N ALA A 31 12.879 22.776 -8.956 1.00 0.00 N ATOM 457 CA ALA A 31 11.831 23.798 -8.684 1.00 0.00 C ATOM 458 C ALA A 31 12.232 24.627 -7.463 1.00 0.00 C ATOM 459 O ALA A 31 11.961 25.811 -7.389 1.00 0.00 O ATOM 460 CB ALA A 31 10.498 23.098 -8.412 1.00 0.00 C ATOM 0 H ALA A 31 12.884 21.980 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 31 11.728 24.454 -9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.729 23.844 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.213 22.507 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.601 22.443 -7.547 1.00 0.00 H new ATOM 466 N GLY A 32 12.875 24.018 -6.505 1.00 0.00 N ATOM 467 CA GLY A 32 13.294 24.774 -5.291 1.00 0.00 C ATOM 468 C GLY A 32 12.461 24.321 -4.089 1.00 0.00 C ATOM 469 O GLY A 32 12.679 23.263 -3.534 1.00 0.00 O ATOM 0 H GLY A 32 13.128 23.030 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.353 24.608 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.164 25.844 -5.454 1.00 0.00 H new ATOM 473 N ARG A 33 11.507 25.115 -3.685 1.00 0.00 N ATOM 474 CA ARG A 33 10.663 24.731 -2.519 1.00 0.00 C ATOM 475 C ARG A 33 9.187 24.937 -2.866 1.00 0.00 C ATOM 476 O ARG A 33 8.646 26.011 -2.700 1.00 0.00 O ATOM 477 CB ARG A 33 11.029 25.602 -1.316 1.00 0.00 C ATOM 478 CG ARG A 33 12.103 24.897 -0.483 1.00 0.00 C ATOM 479 CD ARG A 33 11.444 24.187 0.702 1.00 0.00 C ATOM 480 NE ARG A 33 11.801 24.897 1.963 1.00 0.00 N ATOM 481 CZ ARG A 33 10.920 25.008 2.921 1.00 0.00 C ATOM 482 NH1 ARG A 33 10.489 23.944 3.538 1.00 0.00 N ATOM 483 NH2 ARG A 33 10.475 26.188 3.261 1.00 0.00 N ATOM 0 H ARG A 33 11.276 26.012 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 33 10.836 23.683 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.394 26.572 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.145 25.789 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.642 24.177 -1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.835 25.621 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.362 24.170 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.775 23.150 0.749 1.00 0.00 H new ATOM 0 HE ARG A 33 12.733 25.296 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.840 23.024 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.801 24.032 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.815 27.020 2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.787 26.278 4.009 1.00 0.00 H new ATOM 497 N GLY A 34 8.532 23.915 -3.346 1.00 0.00 N ATOM 498 CA GLY A 34 7.090 24.054 -3.702 1.00 0.00 C ATOM 499 C GLY A 34 6.960 24.827 -5.014 1.00 0.00 C ATOM 500 O GLY A 34 5.848 25.197 -5.353 1.00 0.00 O ATOM 501 OXT GLY A 34 7.974 25.035 -5.660 1.00 0.00 O ATOM 0 H GLY A 34 8.932 22.991 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.633 23.070 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.557 24.575 -2.907 1.00 0.00 H new TER 505 GLY A 34