USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=7 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00352) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.64! C(o=-1.6!,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 X(o=0,f=0) 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 -179:sc= 0 (180deg=-0.000234) USER MOD Single : A 27 SER OG : rot 180:sc= 0.131 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+ 146:sc= 0.0576 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.481 -21.219 -11.099 1.00 0.00 N ATOM 2 CA MET A 1 -0.770 -21.701 -12.480 1.00 0.00 C ATOM 3 C MET A 1 0.318 -21.201 -13.431 1.00 0.00 C ATOM 4 O MET A 1 0.838 -21.942 -14.240 1.00 0.00 O ATOM 5 CB MET A 1 -2.129 -21.163 -12.934 1.00 0.00 C ATOM 6 CG MET A 1 -2.302 -21.417 -14.433 1.00 0.00 C ATOM 7 SD MET A 1 -3.882 -22.250 -14.724 1.00 0.00 S ATOM 8 CE MET A 1 -4.918 -20.767 -14.746 1.00 0.00 C ATOM 0 H1 MET A 1 -1.201 -21.586 -10.445 1.00 0.00 H new ATOM 0 H2 MET A 1 0.458 -21.555 -10.804 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.498 -20.179 -11.084 1.00 0.00 H new ATOM 0 HA MET A 1 -0.789 -22.791 -12.488 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.930 -21.650 -12.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.198 -20.096 -12.725 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.270 -20.474 -14.979 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.481 -22.030 -14.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.957 -21.051 -14.915 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.834 -20.251 -13.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.588 -20.104 -15.546 1.00 0.00 H new ATOM 20 N GLY A 2 0.666 -19.946 -13.341 1.00 0.00 N ATOM 21 CA GLY A 2 1.720 -19.398 -14.240 1.00 0.00 C ATOM 22 C GLY A 2 1.104 -19.040 -15.595 1.00 0.00 C ATOM 23 O GLY A 2 -0.080 -19.200 -15.810 1.00 0.00 O ATOM 0 H GLY A 2 0.266 -19.277 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.173 -18.514 -13.790 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.516 -20.131 -14.373 1.00 0.00 H new ATOM 27 N LYS A 3 1.903 -18.555 -16.508 1.00 0.00 N ATOM 28 CA LYS A 3 1.375 -18.183 -17.852 1.00 0.00 C ATOM 29 C LYS A 3 0.668 -16.827 -17.773 1.00 0.00 C ATOM 30 O LYS A 3 0.247 -16.278 -18.772 1.00 0.00 O ATOM 31 CB LYS A 3 0.385 -19.249 -18.329 1.00 0.00 C ATOM 32 CG LYS A 3 0.716 -19.643 -19.770 1.00 0.00 C ATOM 33 CD LYS A 3 -0.560 -20.091 -20.485 1.00 0.00 C ATOM 34 CE LYS A 3 -1.115 -21.344 -19.805 1.00 0.00 C ATOM 35 NZ LYS A 3 -2.543 -21.119 -19.443 1.00 0.00 N ATOM 0 H LYS A 3 2.903 -18.400 -16.379 1.00 0.00 H new ATOM 0 HA LYS A 3 2.204 -18.117 -18.557 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.435 -20.124 -17.681 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.634 -18.867 -18.270 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.162 -18.799 -20.295 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.451 -20.448 -19.778 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.302 -19.293 -20.461 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.348 -20.298 -21.534 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.028 -22.202 -20.472 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.534 -21.574 -18.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.922 -21.970 -18.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.613 -20.311 -18.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.092 -20.919 -20.303 1.00 0.00 H new ATOM 49 N ALA A 4 0.535 -16.278 -16.597 1.00 0.00 N ATOM 50 CA ALA A 4 -0.140 -14.958 -16.460 1.00 0.00 C ATOM 51 C ALA A 4 0.831 -13.953 -15.836 1.00 0.00 C ATOM 52 O ALA A 4 0.580 -12.765 -15.809 1.00 0.00 O ATOM 53 CB ALA A 4 -1.372 -15.101 -15.563 1.00 0.00 C ATOM 0 H ALA A 4 0.866 -16.688 -15.724 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.449 -14.605 -17.444 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.864 -14.134 -15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.064 -15.817 -16.007 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.066 -15.455 -14.578 1.00 0.00 H new ATOM 59 N GLU A 5 1.939 -14.424 -15.331 1.00 0.00 N ATOM 60 CA GLU A 5 2.928 -13.501 -14.706 1.00 0.00 C ATOM 61 C GLU A 5 3.164 -12.300 -15.623 1.00 0.00 C ATOM 62 O GLU A 5 3.045 -11.162 -15.213 1.00 0.00 O ATOM 63 CB GLU A 5 4.248 -14.244 -14.490 1.00 0.00 C ATOM 64 CG GLU A 5 5.037 -13.565 -13.370 1.00 0.00 C ATOM 65 CD GLU A 5 6.473 -13.319 -13.835 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.641 -12.814 -14.933 1.00 0.00 O ATOM 67 OE2 GLU A 5 7.381 -13.641 -13.086 1.00 0.00 O ATOM 0 H GLU A 5 2.202 -15.410 -15.325 1.00 0.00 H new ATOM 0 HA GLU A 5 2.542 -13.152 -13.748 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.054 -15.285 -14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.831 -14.246 -15.411 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.565 -12.621 -13.098 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.035 -14.191 -12.478 1.00 0.00 H new ATOM 74 N ASN A 6 3.501 -12.541 -16.861 1.00 0.00 N ATOM 75 CA ASN A 6 3.749 -11.411 -17.799 1.00 0.00 C ATOM 76 C ASN A 6 2.442 -10.660 -18.055 1.00 0.00 C ATOM 77 O ASN A 6 2.393 -9.446 -18.009 1.00 0.00 O ATOM 78 CB ASN A 6 4.296 -11.958 -19.121 1.00 0.00 C ATOM 79 CG ASN A 6 3.164 -12.592 -19.935 1.00 0.00 C ATOM 80 OD1 ASN A 6 2.755 -13.703 -19.664 1.00 0.00 O ATOM 81 ND2 ASN A 6 2.639 -11.928 -20.927 1.00 0.00 N ATOM 0 H ASN A 6 3.615 -13.472 -17.263 1.00 0.00 H new ATOM 0 HA ASN A 6 4.476 -10.727 -17.360 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.760 -11.154 -19.693 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.072 -12.698 -18.924 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.885 -12.342 -21.475 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.982 -10.995 -21.155 1.00 0.00 H new ATOM 88 N TYR A 7 1.387 -11.376 -18.329 1.00 0.00 N ATOM 89 CA TYR A 7 0.073 -10.722 -18.594 1.00 0.00 C ATOM 90 C TYR A 7 -0.126 -9.547 -17.631 1.00 0.00 C ATOM 91 O TYR A 7 -0.190 -8.402 -18.035 1.00 0.00 O ATOM 92 CB TYR A 7 -1.050 -11.743 -18.393 1.00 0.00 C ATOM 93 CG TYR A 7 -2.383 -11.035 -18.337 1.00 0.00 C ATOM 94 CD1 TYR A 7 -3.057 -10.718 -19.521 1.00 0.00 C ATOM 95 CD2 TYR A 7 -2.945 -10.696 -17.099 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.293 -10.062 -19.470 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.181 -10.041 -17.048 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.855 -9.723 -18.234 1.00 0.00 C ATOM 99 OH TYR A 7 -6.073 -9.077 -18.185 1.00 0.00 O ATOM 0 H TYR A 7 1.378 -12.395 -18.381 1.00 0.00 H new ATOM 0 HA TYR A 7 0.054 -10.352 -19.619 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.046 -12.466 -19.208 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.886 -12.301 -17.471 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.624 -10.979 -20.475 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.425 -10.940 -16.185 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.813 -9.818 -20.385 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.615 -9.781 -16.094 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.320 -8.916 -17.251 1.00 0.00 H new ATOM 109 N GLU A 8 -0.221 -9.821 -16.361 1.00 0.00 N ATOM 110 CA GLU A 8 -0.414 -8.722 -15.377 1.00 0.00 C ATOM 111 C GLU A 8 0.797 -7.789 -15.414 1.00 0.00 C ATOM 112 O GLU A 8 0.661 -6.581 -15.437 1.00 0.00 O ATOM 113 CB GLU A 8 -0.562 -9.316 -13.975 1.00 0.00 C ATOM 114 CG GLU A 8 -2.047 -9.463 -13.638 1.00 0.00 C ATOM 115 CD GLU A 8 -2.240 -9.351 -12.125 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.397 -8.745 -11.483 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.228 -9.871 -11.634 1.00 0.00 O ATOM 0 H GLU A 8 -0.173 -10.759 -15.962 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.313 -8.159 -15.628 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.069 -10.287 -13.926 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.074 -8.673 -13.243 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.625 -8.691 -14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.418 -10.425 -13.992 1.00 0.00 H new ATOM 124 N LEU A 9 1.983 -8.336 -15.426 1.00 0.00 N ATOM 125 CA LEU A 9 3.198 -7.475 -15.468 1.00 0.00 C ATOM 126 C LEU A 9 2.992 -6.370 -16.505 1.00 0.00 C ATOM 127 O LEU A 9 3.554 -5.297 -16.406 1.00 0.00 O ATOM 128 CB LEU A 9 4.411 -8.321 -15.859 1.00 0.00 C ATOM 129 CG LEU A 9 5.347 -8.464 -14.657 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.500 -9.401 -15.017 1.00 0.00 C ATOM 131 CD2 LEU A 9 5.906 -7.090 -14.281 1.00 0.00 C ATOM 0 H LEU A 9 2.162 -9.340 -15.409 1.00 0.00 H new ATOM 0 HA LEU A 9 3.368 -7.032 -14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.087 -9.305 -16.199 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.939 -7.855 -16.691 1.00 0.00 H new ATOM 0 HG LEU A 9 4.794 -8.876 -13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.167 -9.503 -14.161 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.103 -10.380 -15.286 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.053 -8.989 -15.861 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.573 -7.190 -13.425 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.459 -6.679 -15.125 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.085 -6.421 -14.025 1.00 0.00 H new ATOM 143 N TYR A 10 2.185 -6.625 -17.498 1.00 0.00 N ATOM 144 CA TYR A 10 1.935 -5.594 -18.544 1.00 0.00 C ATOM 145 C TYR A 10 0.964 -4.545 -18.002 1.00 0.00 C ATOM 146 O TYR A 10 1.244 -3.362 -18.007 1.00 0.00 O ATOM 147 CB TYR A 10 1.323 -6.259 -19.778 1.00 0.00 C ATOM 148 CG TYR A 10 1.479 -5.349 -20.971 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.757 -4.953 -21.387 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.348 -4.905 -21.667 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.902 -4.111 -22.496 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.494 -4.063 -22.775 1.00 0.00 C ATOM 153 CZ TYR A 10 1.771 -3.666 -23.191 1.00 0.00 C ATOM 154 OH TYR A 10 1.915 -2.839 -24.285 1.00 0.00 O ATOM 0 H TYR A 10 1.687 -7.505 -17.630 1.00 0.00 H new ATOM 0 HA TYR A 10 2.876 -5.116 -18.815 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.812 -7.214 -19.970 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.268 -6.471 -19.604 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.630 -5.297 -20.852 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.637 -5.212 -21.349 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.887 -3.804 -22.816 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.379 -3.719 -23.310 1.00 0.00 H new ATOM 0 HH TYR A 10 1.032 -2.625 -24.652 1.00 0.00 H new ATOM 164 N GLN A 11 -0.179 -4.968 -17.535 1.00 0.00 N ATOM 165 CA GLN A 11 -1.169 -3.995 -16.994 1.00 0.00 C ATOM 166 C GLN A 11 -0.461 -3.008 -16.065 1.00 0.00 C ATOM 167 O GLN A 11 -0.665 -1.813 -16.142 1.00 0.00 O ATOM 168 CB GLN A 11 -2.250 -4.747 -16.216 1.00 0.00 C ATOM 169 CG GLN A 11 -3.011 -5.673 -17.168 1.00 0.00 C ATOM 170 CD GLN A 11 -4.457 -5.819 -16.691 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.700 -6.203 -15.564 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.433 -5.529 -17.506 1.00 0.00 N ATOM 0 H GLN A 11 -0.470 -5.945 -17.505 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.629 -3.449 -17.818 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.798 -5.327 -15.411 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.938 -4.040 -15.752 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.990 -5.269 -18.180 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.529 -6.650 -17.205 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.229 -5.207 -18.452 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.401 -5.624 -17.197 1.00 0.00 H new ATOM 181 N VAL A 12 0.371 -3.495 -15.184 1.00 0.00 N ATOM 182 CA VAL A 12 1.088 -2.577 -14.255 1.00 0.00 C ATOM 183 C VAL A 12 2.138 -1.783 -15.034 1.00 0.00 C ATOM 184 O VAL A 12 2.326 -0.603 -14.814 1.00 0.00 O ATOM 185 CB VAL A 12 1.778 -3.391 -13.159 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.772 -4.366 -13.794 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.527 -2.443 -12.220 1.00 0.00 C ATOM 0 H VAL A 12 0.584 -4.486 -15.068 1.00 0.00 H new ATOM 0 HA VAL A 12 0.373 -1.891 -13.801 1.00 0.00 H new ATOM 0 HB VAL A 12 1.030 -3.950 -12.596 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.263 -4.945 -13.012 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.241 -5.040 -14.466 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.521 -3.808 -14.356 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.020 -3.020 -11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.274 -1.886 -12.785 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.821 -1.747 -11.767 1.00 0.00 H new ATOM 197 N GLU A 13 2.824 -2.422 -15.940 1.00 0.00 N ATOM 198 CA GLU A 13 3.863 -1.705 -16.732 1.00 0.00 C ATOM 199 C GLU A 13 3.263 -0.436 -17.341 1.00 0.00 C ATOM 200 O GLU A 13 3.941 0.557 -17.521 1.00 0.00 O ATOM 201 CB GLU A 13 4.370 -2.617 -17.851 1.00 0.00 C ATOM 202 CG GLU A 13 5.477 -3.524 -17.311 1.00 0.00 C ATOM 203 CD GLU A 13 6.808 -2.770 -17.328 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.801 -1.605 -17.694 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.810 -3.369 -16.975 1.00 0.00 O ATOM 0 H GLU A 13 2.710 -3.410 -16.167 1.00 0.00 H new ATOM 0 HA GLU A 13 4.692 -1.434 -16.078 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.550 -3.220 -18.242 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.748 -2.018 -18.679 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.239 -3.841 -16.295 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.550 -4.427 -17.918 1.00 0.00 H new ATOM 212 N LEU A 14 1.999 -0.459 -17.664 1.00 0.00 N ATOM 213 CA LEU A 14 1.363 0.749 -18.266 1.00 0.00 C ATOM 214 C LEU A 14 1.196 1.828 -17.194 1.00 0.00 C ATOM 215 O LEU A 14 1.624 2.953 -17.360 1.00 0.00 O ATOM 216 CB LEU A 14 -0.007 0.375 -18.833 1.00 0.00 C ATOM 217 CG LEU A 14 0.127 0.059 -20.324 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.417 1.348 -21.094 1.00 0.00 C ATOM 219 CD2 LEU A 14 1.279 -0.927 -20.531 1.00 0.00 C ATOM 0 H LEU A 14 1.380 -1.260 -17.538 1.00 0.00 H new ATOM 0 HA LEU A 14 1.996 1.131 -19.067 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.409 -0.488 -18.302 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.710 1.195 -18.686 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.801 -0.381 -20.689 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.513 1.124 -22.156 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.401 2.053 -20.944 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.346 1.787 -20.731 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.377 -1.154 -21.593 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.206 -0.485 -20.167 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.075 -1.846 -19.981 1.00 0.00 H new ATOM 231 N GLY A 15 0.578 1.495 -16.094 1.00 0.00 N ATOM 232 CA GLY A 15 0.386 2.504 -15.013 1.00 0.00 C ATOM 233 C GLY A 15 -0.859 3.345 -15.309 1.00 0.00 C ATOM 234 O GLY A 15 -1.805 2.862 -15.901 1.00 0.00 O ATOM 0 H GLY A 15 0.198 0.569 -15.897 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.279 2.004 -14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.263 3.147 -14.942 1.00 0.00 H new ATOM 238 N PRO A 16 -0.820 4.582 -14.883 1.00 0.00 N ATOM 239 CA PRO A 16 -1.933 5.528 -15.080 1.00 0.00 C ATOM 240 C PRO A 16 -1.918 6.074 -16.512 1.00 0.00 C ATOM 241 O PRO A 16 -2.812 5.818 -17.293 1.00 0.00 O ATOM 242 CB PRO A 16 -1.641 6.640 -14.069 1.00 0.00 C ATOM 243 CG PRO A 16 -0.125 6.566 -13.763 1.00 0.00 C ATOM 244 CD PRO A 16 0.338 5.151 -14.164 1.00 0.00 C ATOM 0 HA PRO A 16 -2.914 5.075 -14.936 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.908 7.615 -14.477 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.228 6.503 -13.161 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.421 7.325 -14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.066 6.751 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.223 5.186 -14.799 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.597 4.554 -13.290 1.00 0.00 H new ATOM 252 N GLY A 17 -0.910 6.828 -16.859 1.00 0.00 N ATOM 253 CA GLY A 17 -0.839 7.389 -18.238 1.00 0.00 C ATOM 254 C GLY A 17 0.287 8.423 -18.314 1.00 0.00 C ATOM 255 O GLY A 17 0.620 9.050 -17.328 1.00 0.00 O ATOM 0 H GLY A 17 -0.133 7.079 -16.247 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.662 6.590 -18.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.790 7.852 -18.503 1.00 0.00 H new ATOM 259 N PRO A 18 0.841 8.569 -19.491 1.00 0.00 N ATOM 260 CA PRO A 18 1.938 9.520 -19.741 1.00 0.00 C ATOM 261 C PRO A 18 1.389 10.944 -19.867 1.00 0.00 C ATOM 262 O PRO A 18 1.601 11.780 -19.010 1.00 0.00 O ATOM 263 CB PRO A 18 2.530 9.043 -21.069 1.00 0.00 C ATOM 264 CG PRO A 18 1.419 8.230 -21.776 1.00 0.00 C ATOM 265 CD PRO A 18 0.425 7.798 -20.682 1.00 0.00 C ATOM 0 HA PRO A 18 2.675 9.548 -18.938 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.842 9.889 -21.681 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.414 8.428 -20.901 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.921 8.833 -22.535 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.838 7.361 -22.283 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.603 8.026 -20.965 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.475 6.725 -20.499 1.00 0.00 H new ATOM 273 N SER A 19 0.687 11.228 -20.930 1.00 0.00 N ATOM 274 CA SER A 19 0.128 12.597 -21.110 1.00 0.00 C ATOM 275 C SER A 19 1.206 13.633 -20.791 1.00 0.00 C ATOM 276 O SER A 19 1.140 14.328 -19.797 1.00 0.00 O ATOM 277 CB SER A 19 -1.060 12.790 -20.165 1.00 0.00 C ATOM 278 OG SER A 19 -2.219 12.209 -20.745 1.00 0.00 O ATOM 0 H SER A 19 0.477 10.571 -21.681 1.00 0.00 H new ATOM 0 HA SER A 19 -0.203 12.722 -22.141 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.851 12.328 -19.200 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.224 13.852 -19.981 1.00 0.00 H new ATOM 0 HG SER A 19 -2.982 12.329 -20.142 1.00 0.00 H new ATOM 284 N GLY A 20 2.204 13.740 -21.626 1.00 0.00 N ATOM 285 CA GLY A 20 3.289 14.730 -21.369 1.00 0.00 C ATOM 286 C GLY A 20 4.526 14.004 -20.840 1.00 0.00 C ATOM 287 O GLY A 20 5.215 14.490 -19.966 1.00 0.00 O ATOM 0 H GLY A 20 2.315 13.185 -22.475 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.533 15.265 -22.287 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.954 15.474 -20.646 1.00 0.00 H new ATOM 291 N ASP A 21 4.812 12.843 -21.362 1.00 0.00 N ATOM 292 CA ASP A 21 6.005 12.086 -20.887 1.00 0.00 C ATOM 293 C ASP A 21 6.967 11.868 -22.056 1.00 0.00 C ATOM 294 O ASP A 21 8.127 11.557 -21.869 1.00 0.00 O ATOM 295 CB ASP A 21 5.562 10.731 -20.333 1.00 0.00 C ATOM 296 CG ASP A 21 5.462 10.810 -18.809 1.00 0.00 C ATOM 297 OD1 ASP A 21 5.970 11.769 -18.251 1.00 0.00 O ATOM 298 OD2 ASP A 21 4.879 9.911 -18.226 1.00 0.00 O ATOM 0 H ASP A 21 4.272 12.386 -22.096 1.00 0.00 H new ATOM 0 HA ASP A 21 6.507 12.653 -20.103 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.598 10.451 -20.757 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.274 9.958 -20.622 1.00 0.00 H new ATOM 303 N MET A 22 6.496 12.030 -23.262 1.00 0.00 N ATOM 304 CA MET A 22 7.382 11.831 -24.442 1.00 0.00 C ATOM 305 C MET A 22 7.461 13.132 -25.243 1.00 0.00 C ATOM 306 O MET A 22 7.675 13.125 -26.440 1.00 0.00 O ATOM 307 CB MET A 22 6.813 10.720 -25.327 1.00 0.00 C ATOM 308 CG MET A 22 7.245 9.359 -24.781 1.00 0.00 C ATOM 309 SD MET A 22 6.222 8.060 -25.516 1.00 0.00 S ATOM 310 CE MET A 22 7.537 7.232 -26.445 1.00 0.00 C ATOM 0 H MET A 22 5.535 12.292 -23.481 1.00 0.00 H new ATOM 0 HA MET A 22 8.380 11.550 -24.105 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.725 10.784 -25.354 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.165 10.841 -26.351 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.296 9.181 -25.009 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.147 9.343 -23.696 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.121 6.382 -26.985 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.978 7.932 -27.154 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.305 6.883 -25.755 1.00 0.00 H new ATOM 320 N ALA A 23 7.291 14.252 -24.594 1.00 0.00 N ATOM 321 CA ALA A 23 7.358 15.552 -25.317 1.00 0.00 C ATOM 322 C ALA A 23 8.036 16.597 -24.427 1.00 0.00 C ATOM 323 O ALA A 23 8.000 17.780 -24.703 1.00 0.00 O ATOM 324 CB ALA A 23 5.941 16.019 -25.661 1.00 0.00 C ATOM 0 H ALA A 23 7.108 14.322 -23.593 1.00 0.00 H new ATOM 0 HA ALA A 23 7.933 15.427 -26.235 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.990 16.971 -26.190 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.457 15.276 -26.295 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.366 16.143 -24.743 1.00 0.00 H new ATOM 330 N ALA A 24 8.652 16.170 -23.358 1.00 0.00 N ATOM 331 CA ALA A 24 9.331 17.140 -22.452 1.00 0.00 C ATOM 332 C ALA A 24 10.568 17.710 -23.149 1.00 0.00 C ATOM 333 O ALA A 24 10.736 18.909 -23.253 1.00 0.00 O ATOM 334 CB ALA A 24 9.752 16.427 -21.167 1.00 0.00 C ATOM 0 H ALA A 24 8.714 15.193 -23.073 1.00 0.00 H new ATOM 0 HA ALA A 24 8.646 17.952 -22.209 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.249 17.135 -20.504 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.871 16.022 -20.670 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.438 15.615 -21.409 1.00 0.00 H new ATOM 340 N LYS A 25 11.435 16.860 -23.627 1.00 0.00 N ATOM 341 CA LYS A 25 12.660 17.356 -24.317 1.00 0.00 C ATOM 342 C LYS A 25 12.257 18.190 -25.535 1.00 0.00 C ATOM 343 O LYS A 25 12.851 19.209 -25.825 1.00 0.00 O ATOM 344 CB LYS A 25 13.507 16.168 -24.771 1.00 0.00 C ATOM 345 CG LYS A 25 13.521 15.102 -23.673 1.00 0.00 C ATOM 346 CD LYS A 25 14.967 14.785 -23.287 1.00 0.00 C ATOM 347 CE LYS A 25 15.064 13.330 -22.822 1.00 0.00 C ATOM 348 NZ LYS A 25 16.081 12.613 -23.643 1.00 0.00 N ATOM 0 H LYS A 25 11.349 15.845 -23.570 1.00 0.00 H new ATOM 0 HA LYS A 25 13.239 17.973 -23.629 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.102 15.750 -25.693 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.524 16.495 -24.988 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.970 15.455 -22.801 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.020 14.199 -24.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.627 14.950 -24.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.298 15.455 -22.493 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.339 13.291 -21.768 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.094 12.841 -22.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.147 11.624 -23.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.800 12.639 -24.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.006 13.075 -23.531 1.00 0.00 H new ATOM 362 N MET A 26 11.249 17.767 -26.248 1.00 0.00 N ATOM 363 CA MET A 26 10.809 18.539 -27.444 1.00 0.00 C ATOM 364 C MET A 26 10.491 19.975 -27.029 1.00 0.00 C ATOM 365 O MET A 26 10.929 20.924 -27.649 1.00 0.00 O ATOM 366 CB MET A 26 9.558 17.892 -28.039 1.00 0.00 C ATOM 367 CG MET A 26 9.959 16.957 -29.182 1.00 0.00 C ATOM 368 SD MET A 26 9.622 17.762 -30.768 1.00 0.00 S ATOM 369 CE MET A 26 7.851 17.396 -30.836 1.00 0.00 C ATOM 0 H MET A 26 10.712 16.922 -26.054 1.00 0.00 H new ATOM 0 HA MET A 26 11.604 18.541 -28.189 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.024 17.334 -27.270 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.878 18.661 -28.406 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.017 16.707 -29.107 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.404 16.021 -29.112 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.433 17.794 -31.761 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.701 16.317 -30.804 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.351 17.857 -29.984 1.00 0.00 H new ATOM 379 N SER A 27 9.733 20.143 -25.980 1.00 0.00 N ATOM 380 CA SER A 27 9.389 21.518 -25.522 1.00 0.00 C ATOM 381 C SER A 27 10.608 22.144 -24.845 1.00 0.00 C ATOM 382 O SER A 27 10.667 23.338 -24.627 1.00 0.00 O ATOM 383 CB SER A 27 8.232 21.447 -24.525 1.00 0.00 C ATOM 384 OG SER A 27 7.870 22.764 -24.133 1.00 0.00 O ATOM 0 H SER A 27 9.337 19.387 -25.421 1.00 0.00 H new ATOM 0 HA SER A 27 9.094 22.126 -26.377 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.378 20.942 -24.976 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.524 20.862 -23.652 1.00 0.00 H new ATOM 0 HG SER A 27 7.127 22.723 -23.495 1.00 0.00 H new ATOM 390 N LYS A 28 11.584 21.344 -24.513 1.00 0.00 N ATOM 391 CA LYS A 28 12.803 21.887 -23.850 1.00 0.00 C ATOM 392 C LYS A 28 13.703 22.542 -24.900 1.00 0.00 C ATOM 393 O LYS A 28 14.450 23.455 -24.610 1.00 0.00 O ATOM 394 CB LYS A 28 13.561 20.749 -23.166 1.00 0.00 C ATOM 395 CG LYS A 28 14.280 21.287 -21.927 1.00 0.00 C ATOM 396 CD LYS A 28 15.716 21.666 -22.291 1.00 0.00 C ATOM 397 CE LYS A 28 16.213 22.757 -21.341 1.00 0.00 C ATOM 398 NZ LYS A 28 17.680 22.942 -21.518 1.00 0.00 N ATOM 0 H LYS A 28 11.590 20.337 -24.673 1.00 0.00 H new ATOM 0 HA LYS A 28 12.513 22.628 -23.105 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.869 19.956 -22.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.282 20.311 -23.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.752 22.157 -21.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.281 20.534 -21.139 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.362 20.790 -22.226 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.760 22.019 -23.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.691 23.693 -21.541 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.992 22.483 -20.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.017 23.684 -20.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.170 22.050 -21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.879 23.222 -22.500 1.00 0.00 H new ATOM 412 N LYS A 29 13.636 22.081 -26.118 1.00 0.00 N ATOM 413 CA LYS A 29 14.485 22.677 -27.187 1.00 0.00 C ATOM 414 C LYS A 29 14.060 24.127 -27.420 1.00 0.00 C ATOM 415 O LYS A 29 14.820 25.051 -27.205 1.00 0.00 O ATOM 416 CB LYS A 29 14.307 21.880 -28.481 1.00 0.00 C ATOM 417 CG LYS A 29 15.676 21.459 -29.016 1.00 0.00 C ATOM 418 CD LYS A 29 15.738 19.933 -29.104 1.00 0.00 C ATOM 419 CE LYS A 29 16.825 19.521 -30.099 1.00 0.00 C ATOM 420 NZ LYS A 29 17.372 18.190 -29.709 1.00 0.00 N ATOM 0 H LYS A 29 13.030 21.318 -26.419 1.00 0.00 H new ATOM 0 HA LYS A 29 15.531 22.647 -26.883 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.691 21.000 -28.296 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.785 22.484 -29.223 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.846 21.898 -29.999 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.465 21.829 -28.361 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.950 19.510 -28.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.773 19.537 -29.420 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.413 19.476 -31.107 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.622 20.265 -30.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.111 17.907 -30.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.779 18.248 -28.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.608 17.485 -29.717 1.00 0.00 H new ATOM 434 N LYS A 30 12.847 24.334 -27.858 1.00 0.00 N ATOM 435 CA LYS A 30 12.365 25.722 -28.106 1.00 0.00 C ATOM 436 C LYS A 30 10.873 25.686 -28.439 1.00 0.00 C ATOM 437 O LYS A 30 10.443 26.180 -29.462 1.00 0.00 O ATOM 438 CB LYS A 30 13.136 26.330 -29.277 1.00 0.00 C ATOM 439 CG LYS A 30 13.352 27.823 -29.030 1.00 0.00 C ATOM 440 CD LYS A 30 14.821 28.175 -29.266 1.00 0.00 C ATOM 441 CE LYS A 30 15.634 27.834 -28.016 1.00 0.00 C ATOM 442 NZ LYS A 30 16.797 26.983 -28.398 1.00 0.00 N ATOM 0 H LYS A 30 12.168 23.599 -28.055 1.00 0.00 H new ATOM 0 HA LYS A 30 12.526 26.329 -27.215 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.096 25.828 -29.393 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.584 26.181 -30.205 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.716 28.408 -29.695 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.066 28.078 -28.010 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.205 27.623 -30.124 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.919 29.235 -29.499 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.981 28.748 -27.534 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.008 27.310 -27.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.607 27.206 -27.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.545 25.980 -28.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.052 27.168 -29.389 1.00 0.00 H new ATOM 456 N ALA A 31 10.078 25.101 -27.584 1.00 0.00 N ATOM 457 CA ALA A 31 8.614 25.030 -27.854 1.00 0.00 C ATOM 458 C ALA A 31 7.850 25.695 -26.707 1.00 0.00 C ATOM 459 O ALA A 31 7.158 26.677 -26.896 1.00 0.00 O ATOM 460 CB ALA A 31 8.190 23.566 -27.967 1.00 0.00 C ATOM 0 H ALA A 31 10.380 24.669 -26.710 1.00 0.00 H new ATOM 0 HA ALA A 31 8.390 25.548 -28.787 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.119 23.511 -28.164 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.734 23.092 -28.784 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.414 23.049 -27.034 1.00 0.00 H new ATOM 466 N GLY A 32 7.967 25.170 -25.519 1.00 0.00 N ATOM 467 CA GLY A 32 7.245 25.771 -24.362 1.00 0.00 C ATOM 468 C GLY A 32 7.436 27.290 -24.375 1.00 0.00 C ATOM 469 O GLY A 32 8.347 27.806 -24.991 1.00 0.00 O ATOM 0 H GLY A 32 8.532 24.350 -25.299 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.184 25.527 -24.415 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.622 25.354 -23.428 1.00 0.00 H new ATOM 473 N ARG A 33 6.581 28.011 -23.700 1.00 0.00 N ATOM 474 CA ARG A 33 6.715 29.496 -23.676 1.00 0.00 C ATOM 475 C ARG A 33 7.705 29.904 -22.583 1.00 0.00 C ATOM 476 O ARG A 33 7.890 31.072 -22.305 1.00 0.00 O ATOM 477 CB ARG A 33 5.350 30.126 -23.389 1.00 0.00 C ATOM 478 CG ARG A 33 4.750 29.500 -22.127 1.00 0.00 C ATOM 479 CD ARG A 33 4.094 30.590 -21.280 1.00 0.00 C ATOM 480 NE ARG A 33 2.655 30.263 -21.075 1.00 0.00 N ATOM 481 CZ ARG A 33 1.907 31.039 -20.339 1.00 0.00 C ATOM 482 NH1 ARG A 33 2.002 32.336 -20.456 1.00 0.00 N ATOM 483 NH2 ARG A 33 1.066 30.521 -19.487 1.00 0.00 N ATOM 0 H ARG A 33 5.797 27.637 -23.165 1.00 0.00 H new ATOM 0 HA ARG A 33 7.080 29.843 -24.643 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.456 31.203 -23.258 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.682 29.972 -24.236 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.014 28.743 -22.398 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.528 28.997 -21.553 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.600 30.671 -20.318 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.191 31.557 -21.774 1.00 0.00 H new ATOM 0 HE ARG A 33 2.254 29.432 -21.510 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.660 32.741 -21.122 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.418 32.944 -19.882 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.992 29.508 -19.395 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.482 31.129 -18.913 1.00 0.00 H new ATOM 497 N GLY A 34 8.345 28.951 -21.960 1.00 0.00 N ATOM 498 CA GLY A 34 9.322 29.288 -20.887 1.00 0.00 C ATOM 499 C GLY A 34 9.704 28.017 -20.124 1.00 0.00 C ATOM 500 O GLY A 34 9.204 26.964 -20.482 1.00 0.00 O ATOM 501 OXT GLY A 34 10.488 28.120 -19.196 1.00 0.00 O ATOM 0 H GLY A 34 8.233 27.955 -22.148 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.211 29.745 -21.321 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.889 30.019 -20.204 1.00 0.00 H new TER 505 GLY A 34