USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 251 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 VAL N :NH3+ 167:sc= -0.282 (180deg=-0.539) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.355 F(o=-1.4!,f=-0.36) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.965 F(o=-2.9!,f=-0.96) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.624 F(o=-2.8,f=-0.62) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= 0.023 (180deg=-0.211) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -7.34! C(o=-7.3!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.195 -3.057 -3.573 1.00 41.30 N ATOM 2 CA VAL A 1 4.995 -1.625 -3.717 1.00 43.30 C ATOM 3 C VAL A 1 6.137 -1.036 -4.548 1.00 40.11 C ATOM 4 O VAL A 1 7.131 -1.711 -4.811 1.00 33.51 O ATOM 5 CB VAL A 1 4.862 -0.974 -2.339 1.00 14.32 C ATOM 6 CG1 VAL A 1 3.401 -0.950 -1.883 1.00 24.31 C ATOM 7 CG2 VAL A 1 5.746 -1.681 -1.310 1.00 61.32 C ATOM 0 H1 VAL A 1 4.558 -3.424 -2.838 1.00 41.30 H new ATOM 0 H2 VAL A 1 4.990 -3.529 -4.477 1.00 41.30 H new ATOM 0 H3 VAL A 1 6.181 -3.244 -3.301 1.00 41.30 H new ATOM 0 HA VAL A 1 4.066 -1.421 -4.249 1.00 43.30 H new ATOM 0 HB VAL A 1 5.205 0.057 -2.422 1.00 14.32 H new ATOM 0 HG11 VAL A 1 3.334 -0.482 -0.901 1.00 24.31 H new ATOM 0 HG12 VAL A 1 2.806 -0.381 -2.597 1.00 24.31 H new ATOM 0 HG13 VAL A 1 3.021 -1.970 -1.826 1.00 24.31 H new ATOM 0 HG21 VAL A 1 5.632 -1.198 -0.339 1.00 61.32 H new ATOM 0 HG22 VAL A 1 5.449 -2.727 -1.232 1.00 61.32 H new ATOM 0 HG23 VAL A 1 6.788 -1.623 -1.624 1.00 61.32 H new ATOM 17 N PHE A 2 5.957 0.217 -4.939 1.00 12.34 N ATOM 18 CA PHE A 2 6.960 0.905 -5.734 1.00 75.35 C ATOM 19 C PHE A 2 6.468 2.291 -6.157 1.00 25.11 C ATOM 20 O PHE A 2 6.734 2.734 -7.274 1.00 35.45 O ATOM 21 CB PHE A 2 7.195 0.057 -6.986 1.00 64.01 C ATOM 22 CG PHE A 2 8.638 -0.426 -7.148 1.00 2.03 C ATOM 23 CD1 PHE A 2 9.388 -0.707 -6.049 1.00 23.25 C ATOM 24 CD2 PHE A 2 9.171 -0.574 -8.390 1.00 54.13 C ATOM 25 CE1 PHE A 2 10.727 -1.155 -6.199 1.00 23.35 C ATOM 26 CE2 PHE A 2 10.510 -1.022 -8.540 1.00 73.03 C ATOM 27 CZ PHE A 2 11.260 -1.303 -7.441 1.00 72.32 C ATOM 0 H PHE A 2 5.131 0.774 -4.720 1.00 12.34 H new ATOM 0 HA PHE A 2 7.872 1.035 -5.152 1.00 75.35 H new ATOM 0 HB2 PHE A 2 6.534 -0.809 -6.955 1.00 64.01 H new ATOM 0 HB3 PHE A 2 6.917 0.639 -7.864 1.00 64.01 H new ATOM 0 HD1 PHE A 2 8.965 -0.589 -5.062 1.00 23.25 H new ATOM 0 HD2 PHE A 2 8.576 -0.351 -9.263 1.00 54.13 H new ATOM 0 HE1 PHE A 2 11.322 -1.378 -5.326 1.00 23.35 H new ATOM 0 HE2 PHE A 2 10.933 -1.140 -9.527 1.00 73.03 H new ATOM 0 HZ PHE A 2 12.279 -1.644 -7.555 1.00 72.32 H new ATOM 37 N HIS A 3 5.762 2.937 -5.242 1.00 15.43 N ATOM 38 CA HIS A 3 5.231 4.264 -5.505 1.00 41.24 C ATOM 39 C HIS A 3 4.529 4.794 -4.254 1.00 14.13 C ATOM 40 O HIS A 3 4.627 5.978 -3.936 1.00 42.44 O ATOM 41 CB HIS A 3 4.321 4.251 -6.735 1.00 61.12 C ATOM 42 CG HIS A 3 3.309 5.371 -6.762 1.00 51.34 C ATOM 43 ND1 HIS A 3 2.232 5.619 -5.962 1.00 14.41 N flip ATOM 44 CD2 HIS A 3 3.346 6.392 -7.696 1.00 43.34 C flip ATOM 45 CE1 HIS A 3 1.644 6.732 -6.383 1.00 72.24 C flip ATOM 46 NE2 HIS A 3 2.333 7.213 -7.458 1.00 43.24 N flip ATOM 0 H HIS A 3 5.545 2.566 -4.317 1.00 15.43 H new ATOM 0 HA HIS A 3 6.048 4.947 -5.737 1.00 41.24 H new ATOM 0 HB2 HIS A 3 4.938 4.311 -7.631 1.00 61.12 H new ATOM 0 HB3 HIS A 3 3.794 3.298 -6.774 1.00 61.12 H new ATOM 0 HD2 HIS A 3 4.076 6.501 -8.484 1.00 43.34 H new ATOM 0 HE1 HIS A 3 0.765 7.183 -5.947 1.00 72.24 H new ATOM 0 HE2 HIS A 3 2.108 8.056 -7.986 1.00 43.24 H new ATOM 54 N ALA A 4 3.835 3.891 -3.576 1.00 70.05 N ATOM 55 CA ALA A 4 3.116 4.252 -2.367 1.00 2.45 C ATOM 56 C ALA A 4 4.111 4.756 -1.319 1.00 31.13 C ATOM 57 O ALA A 4 3.721 5.404 -0.349 1.00 3.41 O ATOM 58 CB ALA A 4 2.309 3.050 -1.874 1.00 31.14 C ATOM 0 H ALA A 4 3.756 2.909 -3.842 1.00 70.05 H new ATOM 0 HA ALA A 4 2.410 5.058 -2.567 1.00 2.45 H new ATOM 0 HB1 ALA A 4 1.770 3.321 -0.967 1.00 31.14 H new ATOM 0 HB2 ALA A 4 1.597 2.749 -2.643 1.00 31.14 H new ATOM 0 HB3 ALA A 4 2.984 2.221 -1.661 1.00 31.14 H new ATOM 64 N TYR A 5 5.376 4.438 -1.550 1.00 2.13 N ATOM 65 CA TYR A 5 6.430 4.850 -0.638 1.00 12.12 C ATOM 66 C TYR A 5 7.754 5.039 -1.380 1.00 4.31 C ATOM 67 O TYR A 5 7.950 4.484 -2.460 1.00 20.54 O ATOM 68 CB TYR A 5 6.583 3.711 0.372 1.00 71.11 C ATOM 69 CG TYR A 5 7.393 2.522 -0.149 1.00 52.13 C ATOM 70 CD1 TYR A 5 6.903 1.755 -1.187 1.00 11.10 C ATOM 71 CD2 TYR A 5 8.613 2.217 0.418 1.00 22.41 C ATOM 72 CE1 TYR A 5 7.665 0.636 -1.678 1.00 2.34 C ATOM 73 CE2 TYR A 5 9.375 1.098 -0.073 1.00 24.25 C ATOM 74 CZ TYR A 5 8.864 0.363 -1.096 1.00 72.22 C ATOM 75 OH TYR A 5 9.584 -0.694 -1.560 1.00 13.15 O ATOM 0 H TYR A 5 5.695 3.900 -2.355 1.00 2.13 H new ATOM 0 HA TYR A 5 6.178 5.798 -0.164 1.00 12.12 H new ATOM 0 HB2 TYR A 5 7.063 4.098 1.271 1.00 71.11 H new ATOM 0 HB3 TYR A 5 5.592 3.363 0.664 1.00 71.11 H new ATOM 0 HD1 TYR A 5 5.948 1.994 -1.631 1.00 11.10 H new ATOM 0 HD2 TYR A 5 8.997 2.817 1.230 1.00 22.41 H new ATOM 0 HE1 TYR A 5 7.293 0.028 -2.489 1.00 2.34 H new ATOM 0 HE2 TYR A 5 10.331 0.848 0.362 1.00 24.25 H new ATOM 0 HH TYR A 5 10.419 -0.769 -1.052 1.00 13.15 H new ATOM 85 N SER A 6 8.630 5.826 -0.771 1.00 72.23 N ATOM 86 CA SER A 6 9.930 6.095 -1.361 1.00 3.32 C ATOM 87 C SER A 6 11.033 5.859 -0.326 1.00 52.25 C ATOM 88 O SER A 6 11.346 6.746 0.466 1.00 13.40 O ATOM 89 CB SER A 6 10.005 7.525 -1.899 1.00 41.34 C ATOM 90 OG SER A 6 9.004 7.779 -2.881 1.00 50.13 O ATOM 0 H SER A 6 8.464 6.285 0.124 1.00 72.23 H new ATOM 0 HA SER A 6 10.074 5.412 -2.198 1.00 3.32 H new ATOM 0 HB2 SER A 6 9.891 8.229 -1.075 1.00 41.34 H new ATOM 0 HB3 SER A 6 10.990 7.698 -2.332 1.00 41.34 H new ATOM 0 HG SER A 6 9.084 8.703 -3.198 1.00 50.13 H new ATOM 96 N ALA A 7 11.591 4.659 -0.368 1.00 23.52 N ATOM 97 CA ALA A 7 12.652 4.295 0.556 1.00 23.50 C ATOM 98 C ALA A 7 13.828 5.258 0.381 1.00 70.23 C ATOM 99 O ALA A 7 14.514 5.588 1.347 1.00 53.31 O ATOM 100 CB ALA A 7 13.053 2.836 0.324 1.00 45.41 C ATOM 0 H ALA A 7 11.329 3.926 -1.027 1.00 23.52 H new ATOM 0 HA ALA A 7 12.308 4.379 1.587 1.00 23.50 H new ATOM 0 HB1 ALA A 7 13.849 2.563 1.017 1.00 45.41 H new ATOM 0 HB2 ALA A 7 12.190 2.191 0.490 1.00 45.41 H new ATOM 0 HB3 ALA A 7 13.406 2.714 -0.700 1.00 45.41 H new ATOM 106 N ARG A 8 14.025 5.681 -0.859 1.00 51.03 N ATOM 107 CA ARG A 8 15.106 6.600 -1.174 1.00 31.34 C ATOM 108 C ARG A 8 14.863 7.954 -0.505 1.00 11.14 C ATOM 109 O ARG A 8 15.762 8.792 -0.447 1.00 15.00 O ATOM 110 CB ARG A 8 15.236 6.801 -2.685 1.00 13.02 C ATOM 111 CG ARG A 8 16.237 5.813 -3.286 1.00 24.25 C ATOM 112 CD ARG A 8 15.563 4.478 -3.611 1.00 4.33 C ATOM 113 NE ARG A 8 15.361 3.698 -2.370 1.00 23.33 N ATOM 114 CZ ARG A 8 15.276 2.351 -2.328 1.00 53.10 C ATOM 115 NH1 ARG A 8 15.374 1.623 -3.461 1.00 20.14 N ATOM 116 NH2 ARG A 8 15.094 1.757 -1.163 1.00 42.03 N ATOM 0 H ARG A 8 13.454 5.404 -1.658 1.00 51.03 H new ATOM 0 HA ARG A 8 16.031 6.165 -0.796 1.00 31.34 H new ATOM 0 HB2 ARG A 8 14.263 6.671 -3.158 1.00 13.02 H new ATOM 0 HB3 ARG A 8 15.557 7.822 -2.893 1.00 13.02 H new ATOM 0 HG2 ARG A 8 16.671 6.235 -4.192 1.00 24.25 H new ATOM 0 HG3 ARG A 8 17.057 5.650 -2.586 1.00 24.25 H new ATOM 0 HD2 ARG A 8 14.605 4.654 -4.100 1.00 4.33 H new ATOM 0 HD3 ARG A 8 16.178 3.912 -4.310 1.00 4.33 H new ATOM 0 HE ARG A 8 15.281 4.210 -1.491 1.00 23.33 H new ATOM 0 HH11 ARG A 8 15.513 2.090 -4.357 1.00 20.14 H new ATOM 0 HH12 ARG A 8 15.309 0.606 -3.421 1.00 20.14 H new ATOM 0 HH21 ARG A 8 15.020 2.315 -0.312 1.00 42.03 H new ATOM 0 HH22 ARG A 8 15.028 0.740 -1.114 1.00 42.03 H new ATOM 129 N GLY A 9 13.644 8.126 -0.016 1.00 14.51 N ATOM 130 CA GLY A 9 13.271 9.365 0.647 1.00 61.21 C ATOM 131 C GLY A 9 13.095 9.150 2.151 1.00 33.14 C ATOM 132 O GLY A 9 13.298 10.070 2.942 1.00 42.44 O ATOM 0 H GLY A 9 12.901 7.428 -0.065 1.00 14.51 H new ATOM 0 HA2 GLY A 9 14.037 10.121 0.471 1.00 61.21 H new ATOM 0 HA3 GLY A 9 12.343 9.746 0.219 1.00 61.21 H new ATOM 136 N VAL A 10 12.718 7.929 2.502 1.00 1.13 N ATOM 137 CA VAL A 10 12.512 7.582 3.898 1.00 31.31 C ATOM 138 C VAL A 10 13.860 7.578 4.623 1.00 75.55 C ATOM 139 O VAL A 10 14.000 8.185 5.683 1.00 62.12 O ATOM 140 CB VAL A 10 11.774 6.246 4.001 1.00 34.52 C ATOM 141 CG1 VAL A 10 12.760 5.078 4.076 1.00 41.41 C ATOM 142 CG2 VAL A 10 10.821 6.236 5.199 1.00 44.32 C ATOM 0 H VAL A 10 12.550 7.168 1.844 1.00 1.13 H new ATOM 0 HA VAL A 10 11.882 8.325 4.387 1.00 31.31 H new ATOM 0 HB VAL A 10 11.178 6.123 3.097 1.00 34.52 H new ATOM 0 HG11 VAL A 10 12.209 4.141 4.149 1.00 41.41 H new ATOM 0 HG12 VAL A 10 13.379 5.066 3.179 1.00 41.41 H new ATOM 0 HG13 VAL A 10 13.395 5.194 4.954 1.00 41.41 H new ATOM 0 HG21 VAL A 10 10.309 5.275 5.249 1.00 44.32 H new ATOM 0 HG22 VAL A 10 11.388 6.393 6.116 1.00 44.32 H new ATOM 0 HG23 VAL A 10 10.086 7.033 5.086 1.00 44.32 H new ATOM 152 N ARG A 11 14.816 6.886 4.021 1.00 23.12 N ATOM 153 CA ARG A 11 16.148 6.795 4.596 1.00 72.32 C ATOM 154 C ARG A 11 16.826 8.166 4.585 1.00 14.33 C ATOM 155 O ARG A 11 17.487 8.543 5.551 1.00 1.15 O ATOM 156 CB ARG A 11 17.015 5.799 3.822 1.00 54.31 C ATOM 157 CG ARG A 11 17.184 6.236 2.365 1.00 14.13 C ATOM 158 CD ARG A 11 17.472 5.035 1.463 1.00 73.24 C ATOM 159 NE ARG A 11 18.238 4.013 2.210 1.00 71.53 N ATOM 160 CZ ARG A 11 19.561 4.096 2.466 1.00 33.32 C ATOM 161 NH1 ARG A 11 20.276 5.157 2.037 1.00 65.32 N ATOM 162 NH2 ARG A 11 20.144 3.124 3.143 1.00 73.20 N ATOM 0 H ARG A 11 14.695 6.383 3.142 1.00 23.12 H new ATOM 0 HA ARG A 11 16.042 6.446 5.623 1.00 72.32 H new ATOM 0 HB2 ARG A 11 17.993 5.717 4.297 1.00 54.31 H new ATOM 0 HB3 ARG A 11 16.559 4.810 3.858 1.00 54.31 H new ATOM 0 HG2 ARG A 11 16.280 6.742 2.026 1.00 14.13 H new ATOM 0 HG3 ARG A 11 17.999 6.956 2.290 1.00 14.13 H new ATOM 0 HD2 ARG A 11 16.536 4.608 1.102 1.00 73.24 H new ATOM 0 HD3 ARG A 11 18.035 5.355 0.586 1.00 73.24 H new ATOM 0 HE ARG A 11 17.735 3.195 2.553 1.00 71.53 H new ATOM 0 HH11 ARG A 11 19.817 5.904 1.515 1.00 65.32 H new ATOM 0 HH12 ARG A 11 21.275 5.212 2.235 1.00 65.32 H new ATOM 0 HH21 ARG A 11 19.596 2.326 3.464 1.00 73.20 H new ATOM 0 HH22 ARG A 11 21.143 3.171 3.345 1.00 73.20 H new ATOM 175 N ASN A 12 16.638 8.875 3.482 1.00 15.51 N ATOM 176 CA ASN A 12 17.223 10.197 3.333 1.00 15.22 C ATOM 177 C ASN A 12 16.663 11.123 4.416 1.00 63.44 C ATOM 178 O ASN A 12 17.259 12.154 4.724 1.00 33.33 O ATOM 179 CB ASN A 12 16.878 10.802 1.970 1.00 23.55 C ATOM 180 CG ASN A 12 17.902 10.386 0.912 1.00 74.51 C ATOM 181 OD1 ASN A 12 17.961 9.073 0.703 1.00 72.22 O flip ATOM 182 ND2 ASN A 12 18.592 11.202 0.324 1.00 52.52 N flip ATOM 0 H ASN A 12 16.089 8.559 2.683 1.00 15.51 H new ATOM 0 HA ASN A 12 18.305 10.099 3.421 1.00 15.22 H new ATOM 0 HB2 ASN A 12 15.883 10.478 1.666 1.00 23.55 H new ATOM 0 HB3 ASN A 12 16.850 11.889 2.047 1.00 23.55 H new ATOM 0 HD21 ASN A 12 18.496 12.196 0.533 1.00 52.52 H new ATOM 0 HD22 ASN A 12 19.265 10.891 -0.376 1.00 52.52 H new ATOM 189 N ASN A 13 15.525 10.721 4.963 1.00 63.15 N ATOM 190 CA ASN A 13 14.879 11.501 6.004 1.00 10.20 C ATOM 191 C ASN A 13 15.358 11.013 7.373 1.00 42.24 C ATOM 192 O ASN A 13 15.124 11.669 8.386 1.00 1.24 O ATOM 193 CB ASN A 13 13.359 11.339 5.950 1.00 14.41 C ATOM 194 CG ASN A 13 12.736 12.333 4.968 1.00 51.42 C ATOM 195 OD1 ASN A 13 13.407 12.459 3.827 1.00 65.13 O flip ATOM 196 ND2 ASN A 13 11.713 12.946 5.229 1.00 62.24 N flip ATOM 0 H ASN A 13 15.034 9.865 4.705 1.00 63.15 H new ATOM 0 HA ASN A 13 15.136 12.549 5.849 1.00 10.20 H new ATOM 0 HB2 ASN A 13 13.109 10.321 5.651 1.00 14.41 H new ATOM 0 HB3 ASN A 13 12.938 11.492 6.944 1.00 14.41 H new ATOM 0 HD21 ASN A 13 11.247 12.802 6.125 1.00 62.24 H new ATOM 0 HD22 ASN A 13 11.324 13.602 4.551 1.00 62.24 H new ATOM 203 N TYR A 14 16.020 9.866 7.358 1.00 63.35 N ATOM 204 CA TYR A 14 16.534 9.282 8.585 1.00 45.11 C ATOM 205 C TYR A 14 17.861 9.930 8.986 1.00 24.30 C ATOM 206 O TYR A 14 18.043 10.318 10.139 1.00 41.22 O ATOM 207 CB TYR A 14 16.774 7.802 8.280 1.00 45.21 C ATOM 208 CG TYR A 14 18.229 7.359 8.452 1.00 52.43 C ATOM 209 CD1 TYR A 14 18.843 7.470 9.683 1.00 41.24 C ATOM 210 CD2 TYR A 14 18.927 6.849 7.376 1.00 54.23 C ATOM 211 CE1 TYR A 14 20.212 7.053 9.844 1.00 11.43 C ATOM 212 CE2 TYR A 14 20.295 6.432 7.537 1.00 5.44 C ATOM 213 CZ TYR A 14 20.871 6.555 8.764 1.00 54.23 C ATOM 214 OH TYR A 14 22.163 6.162 8.916 1.00 24.44 O ATOM 0 H TYR A 14 16.212 9.325 6.515 1.00 63.35 H new ATOM 0 HA TYR A 14 15.831 9.431 9.405 1.00 45.11 H new ATOM 0 HB2 TYR A 14 16.142 7.200 8.933 1.00 45.21 H new ATOM 0 HB3 TYR A 14 16.461 7.597 7.256 1.00 45.21 H new ATOM 0 HD1 TYR A 14 18.297 7.869 10.525 1.00 41.24 H new ATOM 0 HD2 TYR A 14 18.446 6.763 6.413 1.00 54.23 H new ATOM 0 HE1 TYR A 14 20.704 7.134 10.802 1.00 11.43 H new ATOM 0 HE2 TYR A 14 20.852 6.031 6.703 1.00 5.44 H new ATOM 0 HH TYR A 14 22.506 5.826 8.061 1.00 24.44 H new ATOM 224 N LYS A 15 18.755 10.026 8.012 1.00 35.21 N ATOM 225 CA LYS A 15 20.059 10.620 8.249 1.00 24.42 C ATOM 226 C LYS A 15 19.888 12.106 8.568 1.00 1.14 C ATOM 227 O LYS A 15 20.804 12.743 9.086 1.00 21.03 O ATOM 228 CB LYS A 15 20.994 10.348 7.069 1.00 62.31 C ATOM 229 CG LYS A 15 21.050 11.551 6.125 1.00 33.31 C ATOM 230 CD LYS A 15 19.712 11.747 5.408 1.00 3.53 C ATOM 231 CE LYS A 15 19.688 13.075 4.649 1.00 54.24 C ATOM 232 NZ LYS A 15 19.537 12.838 3.195 1.00 4.14 N ATOM 0 H LYS A 15 18.601 9.702 7.057 1.00 35.21 H new ATOM 0 HA LYS A 15 20.535 10.161 9.115 1.00 24.42 H new ATOM 0 HB2 LYS A 15 21.995 10.124 7.438 1.00 62.31 H new ATOM 0 HB3 LYS A 15 20.651 9.469 6.524 1.00 62.31 H new ATOM 0 HG2 LYS A 15 21.300 12.450 6.689 1.00 33.31 H new ATOM 0 HG3 LYS A 15 21.842 11.405 5.391 1.00 33.31 H new ATOM 0 HD2 LYS A 15 19.543 10.924 4.714 1.00 3.53 H new ATOM 0 HD3 LYS A 15 18.899 11.724 6.134 1.00 3.53 H new ATOM 0 HE2 LYS A 15 18.866 13.692 5.010 1.00 54.24 H new ATOM 0 HE3 LYS A 15 20.608 13.627 4.840 1.00 54.24 H new ATOM 0 HZ1 LYS A 15 19.933 13.643 2.669 1.00 4.14 H new ATOM 0 HZ2 LYS A 15 20.044 11.969 2.930 1.00 4.14 H new ATOM 0 HZ3 LYS A 15 18.528 12.735 2.963 1.00 4.14 H new ATOM 245 N SER A 16 18.708 12.616 8.246 1.00 23.40 N ATOM 246 CA SER A 16 18.405 14.015 8.492 1.00 42.31 C ATOM 247 C SER A 16 18.220 14.255 9.992 1.00 73.24 C ATOM 248 O SER A 16 18.926 15.067 10.586 1.00 2.52 O ATOM 249 CB SER A 16 17.154 14.451 7.726 1.00 22.41 C ATOM 250 OG SER A 16 16.951 15.859 7.793 1.00 14.41 O ATOM 0 H SER A 16 17.950 12.085 7.817 1.00 23.40 H new ATOM 0 HA SER A 16 19.243 14.614 8.136 1.00 42.31 H new ATOM 0 HB2 SER A 16 17.243 14.147 6.683 1.00 22.41 H new ATOM 0 HB3 SER A 16 16.282 13.939 8.134 1.00 22.41 H new ATOM 0 HG SER A 16 16.144 16.097 7.291 1.00 14.41 H new ATOM 256 N ALA A 17 17.266 13.533 10.560 1.00 35.52 N ATOM 257 CA ALA A 17 16.978 13.656 11.979 1.00 2.31 C ATOM 258 C ALA A 17 18.196 13.198 12.784 1.00 44.44 C ATOM 259 O ALA A 17 18.276 13.439 13.987 1.00 32.44 O ATOM 260 CB ALA A 17 15.721 12.853 12.317 1.00 14.14 C ATOM 0 H ALA A 17 16.682 12.860 10.063 1.00 35.52 H new ATOM 0 HA ALA A 17 16.781 14.695 12.241 1.00 2.31 H new ATOM 0 HB1 ALA A 17 15.505 12.946 13.381 1.00 14.14 H new ATOM 0 HB2 ALA A 17 14.879 13.237 11.741 1.00 14.14 H new ATOM 0 HB3 ALA A 17 15.882 11.804 12.069 1.00 14.14 H new ATOM 266 N VAL A 18 19.115 12.547 12.086 1.00 4.01 N ATOM 267 CA VAL A 18 20.326 12.053 12.720 1.00 11.44 C ATOM 268 C VAL A 18 21.298 13.216 12.928 1.00 2.22 C ATOM 269 O VAL A 18 22.076 13.217 13.881 1.00 63.21 O ATOM 270 CB VAL A 18 20.924 10.915 11.892 1.00 70.33 C ATOM 271 CG1 VAL A 18 22.426 10.780 12.149 1.00 61.11 C ATOM 272 CG2 VAL A 18 20.200 9.596 12.169 1.00 75.14 C ATOM 0 H VAL A 18 19.045 12.350 11.088 1.00 4.01 H new ATOM 0 HA VAL A 18 20.101 11.638 13.702 1.00 11.44 H new ATOM 0 HB VAL A 18 20.785 11.159 10.839 1.00 70.33 H new ATOM 0 HG11 VAL A 18 22.826 9.964 11.548 1.00 61.11 H new ATOM 0 HG12 VAL A 18 22.927 11.709 11.878 1.00 61.11 H new ATOM 0 HG13 VAL A 18 22.597 10.571 13.205 1.00 61.11 H new ATOM 0 HG21 VAL A 18 20.645 8.803 11.567 1.00 75.14 H new ATOM 0 HG22 VAL A 18 20.293 9.345 13.226 1.00 75.14 H new ATOM 0 HG23 VAL A 18 19.146 9.699 11.912 1.00 75.14 H new ATOM 282 N GLY A 19 21.222 14.179 12.021 1.00 61.31 N ATOM 283 CA GLY A 19 22.086 15.345 12.093 1.00 71.12 C ATOM 284 C GLY A 19 21.964 16.035 13.453 1.00 31.31 C ATOM 285 O GLY A 19 22.956 16.196 14.162 1.00 13.14 O ATOM 0 H GLY A 19 20.575 14.176 11.232 1.00 61.31 H new ATOM 0 HA2 GLY A 19 23.121 15.046 11.924 1.00 71.12 H new ATOM 0 HA3 GLY A 19 21.823 16.046 11.301 1.00 71.12 H new ATOM 289 N PRO A 20 20.707 16.433 13.785 1.00 54.33 N ATOM 290 CA PRO A 20 20.442 17.102 15.047 1.00 21.13 C ATOM 291 C PRO A 20 20.471 16.108 16.211 1.00 42.44 C ATOM 292 O PRO A 20 20.735 16.489 17.350 1.00 24.21 O ATOM 293 CB PRO A 20 19.086 17.764 14.865 1.00 20.13 C ATOM 294 CG PRO A 20 18.434 17.061 13.686 1.00 40.23 C ATOM 295 CD PRO A 20 19.508 16.259 12.970 1.00 60.25 C ATOM 0 HA PRO A 20 21.201 17.843 15.298 1.00 21.13 H new ATOM 0 HB2 PRO A 20 18.478 17.663 15.764 1.00 20.13 H new ATOM 0 HB3 PRO A 20 19.195 18.831 14.672 1.00 20.13 H new ATOM 0 HG2 PRO A 20 17.633 16.406 14.028 1.00 40.23 H new ATOM 0 HG3 PRO A 20 17.985 17.788 13.009 1.00 40.23 H new ATOM 0 HD2 PRO A 20 19.231 15.208 12.892 1.00 60.25 H new ATOM 0 HD3 PRO A 20 19.663 16.623 11.955 1.00 60.25 H new ATOM 303 N ALA A 21 20.196 14.854 15.883 1.00 41.41 N ATOM 304 CA ALA A 21 20.188 13.803 16.886 1.00 13.42 C ATOM 305 C ALA A 21 21.515 13.820 17.647 1.00 12.24 C ATOM 306 O ALA A 21 21.585 13.370 18.790 1.00 70.32 O ATOM 307 CB ALA A 21 19.919 12.456 16.212 1.00 1.33 C ATOM 0 H ALA A 21 19.977 14.542 14.937 1.00 41.41 H new ATOM 0 HA ALA A 21 19.391 13.970 17.610 1.00 13.42 H new ATOM 0 HB1 ALA A 21 19.913 11.667 16.964 1.00 1.33 H new ATOM 0 HB2 ALA A 21 18.952 12.487 15.711 1.00 1.33 H new ATOM 0 HB3 ALA A 21 20.701 12.253 15.480 1.00 1.33 H new ATOM 313 N ASP A 22 22.534 14.345 16.984 1.00 64.55 N ATOM 314 CA ASP A 22 23.855 14.426 17.583 1.00 24.02 C ATOM 315 C ASP A 22 23.846 15.487 18.686 1.00 72.05 C ATOM 316 O ASP A 22 24.532 15.344 19.696 1.00 65.30 O ATOM 317 CB ASP A 22 24.907 14.830 16.547 1.00 35.15 C ATOM 318 CG ASP A 22 26.257 14.124 16.688 1.00 50.43 C ATOM 319 OD1 ASP A 22 27.196 14.658 17.298 1.00 73.43 O ATOM 320 OD2 ASP A 22 26.326 12.963 16.131 1.00 74.21 O ATOM 0 H ASP A 22 22.472 14.719 16.037 1.00 64.55 H new ATOM 0 HA ASP A 22 24.103 13.444 17.985 1.00 24.02 H new ATOM 0 HB2 ASP A 22 24.511 14.629 15.552 1.00 35.15 H new ATOM 0 HB3 ASP A 22 25.068 15.906 16.615 1.00 35.15 H new ATOM 326 N TRP A 23 23.060 16.528 18.454 1.00 51.12 N ATOM 327 CA TRP A 23 22.952 17.613 19.415 1.00 72.25 C ATOM 328 C TRP A 23 22.152 17.103 20.615 1.00 22.13 C ATOM 329 O TRP A 23 22.587 17.239 21.758 1.00 53.11 O ATOM 330 CB TRP A 23 22.336 18.856 18.770 1.00 14.25 C ATOM 331 CG TRP A 23 20.807 18.896 18.831 1.00 63.34 C ATOM 332 CD1 TRP A 23 19.940 18.842 17.811 1.00 72.53 C ATOM 333 CD2 TRP A 23 19.996 19.001 20.020 1.00 70.54 C ATOM 334 NE1 TRP A 23 18.634 18.904 18.253 1.00 21.33 N ATOM 335 CE2 TRP A 23 18.669 19.003 19.639 1.00 5.33 C ATOM 336 CE3 TRP A 23 20.371 19.090 21.372 1.00 73.12 C ATOM 337 CZ2 TRP A 23 17.611 19.094 20.551 1.00 72.30 C ATOM 338 CZ3 TRP A 23 19.301 19.180 22.270 1.00 31.34 C ATOM 339 CH2 TRP A 23 17.960 19.184 21.904 1.00 62.24 C ATOM 0 H TRP A 23 22.492 16.643 17.615 1.00 51.12 H new ATOM 0 HA TRP A 23 23.938 17.923 19.761 1.00 72.25 H new ATOM 0 HB2 TRP A 23 22.732 19.743 19.264 1.00 14.25 H new ATOM 0 HB3 TRP A 23 22.649 18.905 17.727 1.00 14.25 H new ATOM 0 HD1 TRP A 23 20.227 18.760 16.773 1.00 72.53 H new ATOM 0 HE1 TRP A 23 17.797 18.881 17.670 1.00 21.33 H new ATOM 0 HE3 TRP A 23 21.402 19.089 21.692 1.00 73.12 H new ATOM 0 HZ2 TRP A 23 16.580 19.095 20.228 1.00 72.30 H new ATOM 0 HZ3 TRP A 23 19.534 19.251 23.322 1.00 31.34 H new ATOM 0 HH2 TRP A 23 17.191 19.256 22.659 1.00 62.24 H new ATOM 350 N VAL A 24 20.998 16.526 20.315 1.00 12.31 N ATOM 351 CA VAL A 24 20.134 15.995 21.356 1.00 55.44 C ATOM 352 C VAL A 24 20.911 14.972 22.186 1.00 42.05 C ATOM 353 O VAL A 24 20.945 15.059 23.412 1.00 33.31 O ATOM 354 CB VAL A 24 18.860 15.418 20.734 1.00 23.31 C ATOM 355 CG1 VAL A 24 18.839 13.892 20.847 1.00 13.10 C ATOM 356 CG2 VAL A 24 17.612 16.033 21.370 1.00 21.53 C ATOM 0 H VAL A 24 20.641 16.414 19.366 1.00 12.31 H new ATOM 0 HA VAL A 24 19.819 16.789 22.033 1.00 55.44 H new ATOM 0 HB VAL A 24 18.857 15.676 19.675 1.00 23.31 H new ATOM 0 HG11 VAL A 24 17.924 13.506 20.398 1.00 13.10 H new ATOM 0 HG12 VAL A 24 19.702 13.477 20.326 1.00 13.10 H new ATOM 0 HG13 VAL A 24 18.877 13.604 21.898 1.00 13.10 H new ATOM 0 HG21 VAL A 24 16.721 15.606 20.910 1.00 21.53 H new ATOM 0 HG22 VAL A 24 17.606 15.820 22.439 1.00 21.53 H new ATOM 0 HG23 VAL A 24 17.619 17.112 21.215 1.00 21.53 H new ATOM 366 N ILE A 25 21.517 14.026 21.483 1.00 4.13 N ATOM 367 CA ILE A 25 22.293 12.987 22.140 1.00 54.21 C ATOM 368 C ILE A 25 23.502 13.620 22.832 1.00 33.41 C ATOM 369 O ILE A 25 23.936 13.150 23.883 1.00 71.13 O ATOM 370 CB ILE A 25 22.661 11.884 21.146 1.00 54.04 C ATOM 371 CG1 ILE A 25 22.627 10.509 21.815 1.00 33.33 C ATOM 372 CG2 ILE A 25 24.012 12.168 20.487 1.00 23.23 C ATOM 373 CD1 ILE A 25 21.228 9.894 21.734 1.00 30.22 C ATOM 0 H ILE A 25 21.486 13.957 20.466 1.00 4.13 H new ATOM 0 HA ILE A 25 21.700 12.501 22.915 1.00 54.21 H new ATOM 0 HB ILE A 25 21.912 11.875 20.354 1.00 54.04 H new ATOM 0 HG12 ILE A 25 23.347 9.848 21.333 1.00 33.33 H new ATOM 0 HG13 ILE A 25 22.928 10.601 22.859 1.00 33.33 H new ATOM 0 HG21 ILE A 25 24.250 11.369 19.785 1.00 23.23 H new ATOM 0 HG22 ILE A 25 23.964 13.117 19.953 1.00 23.23 H new ATOM 0 HG23 ILE A 25 24.786 12.221 21.252 1.00 23.23 H new ATOM 0 HD11 ILE A 25 21.232 8.917 22.217 1.00 30.22 H new ATOM 0 HD12 ILE A 25 20.514 10.546 22.238 1.00 30.22 H new ATOM 0 HD13 ILE A 25 20.940 9.781 20.689 1.00 30.22 H new ATOM 385 N SER A 26 24.011 14.676 22.215 1.00 62.50 N ATOM 386 CA SER A 26 25.162 15.377 22.759 1.00 53.14 C ATOM 387 C SER A 26 24.779 16.076 24.065 1.00 22.41 C ATOM 388 O SER A 26 25.578 16.134 24.999 1.00 50.43 O ATOM 389 CB SER A 26 25.712 16.393 21.755 1.00 20.43 C ATOM 390 OG SER A 26 26.549 17.361 22.381 1.00 0.50 O ATOM 0 H SER A 26 23.648 15.063 21.344 1.00 62.50 H new ATOM 0 HA SER A 26 25.944 14.646 22.961 1.00 53.14 H new ATOM 0 HB2 SER A 26 26.276 15.871 20.983 1.00 20.43 H new ATOM 0 HB3 SER A 26 24.883 16.897 21.258 1.00 20.43 H new ATOM 0 HG SER A 26 26.882 17.990 21.707 1.00 0.50 H new ATOM 396 N ALA A 27 23.557 16.587 24.090 1.00 44.45 N ATOM 397 CA ALA A 27 23.059 17.279 25.266 1.00 3.51 C ATOM 398 C ALA A 27 22.821 16.265 26.386 1.00 11.13 C ATOM 399 O ALA A 27 22.975 16.587 27.563 1.00 13.34 O ATOM 400 CB ALA A 27 21.792 18.056 24.903 1.00 10.13 C ATOM 0 H ALA A 27 22.897 16.535 23.314 1.00 44.45 H new ATOM 0 HA ALA A 27 23.792 18.001 25.626 1.00 3.51 H new ATOM 0 HB1 ALA A 27 21.418 18.575 25.785 1.00 10.13 H new ATOM 0 HB2 ALA A 27 22.022 18.783 24.124 1.00 10.13 H new ATOM 0 HB3 ALA A 27 21.032 17.364 24.540 1.00 10.13 H new ATOM 406 N VAL A 28 22.449 15.060 25.981 1.00 61.14 N ATOM 407 CA VAL A 28 22.188 13.996 26.936 1.00 51.35 C ATOM 408 C VAL A 28 23.504 13.570 27.590 1.00 35.00 C ATOM 409 O VAL A 28 23.609 13.534 28.815 1.00 14.40 O ATOM 410 CB VAL A 28 21.461 12.840 26.245 1.00 4.13 C ATOM 411 CG1 VAL A 28 21.255 11.669 27.208 1.00 11.44 C ATOM 412 CG2 VAL A 28 20.129 13.305 25.653 1.00 23.05 C ATOM 0 H VAL A 28 22.322 14.796 25.004 1.00 61.14 H new ATOM 0 HA VAL A 28 21.530 14.348 27.730 1.00 51.35 H new ATOM 0 HB VAL A 28 22.088 12.492 25.424 1.00 4.13 H new ATOM 0 HG11 VAL A 28 20.736 10.861 26.692 1.00 11.44 H new ATOM 0 HG12 VAL A 28 22.223 11.313 27.560 1.00 11.44 H new ATOM 0 HG13 VAL A 28 20.659 11.998 28.059 1.00 11.44 H new ATOM 0 HG21 VAL A 28 19.633 12.464 25.168 1.00 23.05 H new ATOM 0 HG22 VAL A 28 19.492 13.692 26.449 1.00 23.05 H new ATOM 0 HG23 VAL A 28 20.311 14.091 24.920 1.00 23.05 H new ATOM 422 N ARG A 29 24.474 13.257 26.744 1.00 1.21 N ATOM 423 CA ARG A 29 25.779 12.835 27.225 1.00 74.30 C ATOM 424 C ARG A 29 26.525 14.018 27.845 1.00 53.14 C ATOM 425 O ARG A 29 27.378 13.833 28.711 1.00 41.40 O ATOM 426 CB ARG A 29 26.620 12.248 26.090 1.00 23.21 C ATOM 427 CG ARG A 29 26.832 13.275 24.976 1.00 10.45 C ATOM 428 CD ARG A 29 26.933 12.592 23.611 1.00 22.45 C ATOM 429 NE ARG A 29 27.371 11.188 23.780 1.00 72.12 N ATOM 430 CZ ARG A 29 28.662 10.795 23.803 1.00 2.22 C ATOM 431 NH1 ARG A 29 29.656 11.699 23.669 1.00 53.32 N ATOM 432 NH2 ARG A 29 28.939 9.514 23.959 1.00 11.02 N ATOM 0 H ARG A 29 24.383 13.287 25.729 1.00 1.21 H new ATOM 0 HA ARG A 29 25.621 12.065 27.981 1.00 74.30 H new ATOM 0 HB2 ARG A 29 27.585 11.923 26.478 1.00 23.21 H new ATOM 0 HB3 ARG A 29 26.126 11.365 25.686 1.00 23.21 H new ATOM 0 HG2 ARG A 29 26.006 13.986 24.970 1.00 10.45 H new ATOM 0 HG3 ARG A 29 27.741 13.844 25.170 1.00 10.45 H new ATOM 0 HD2 ARG A 29 25.967 12.622 23.107 1.00 22.45 H new ATOM 0 HD3 ARG A 29 27.640 13.129 22.978 1.00 22.45 H new ATOM 0 HE ARG A 29 26.652 10.473 23.886 1.00 72.12 H new ATOM 0 HH11 ARG A 29 29.434 12.687 23.549 1.00 53.32 H new ATOM 0 HH12 ARG A 29 30.629 11.394 23.688 1.00 53.32 H new ATOM 0 HH21 ARG A 29 28.183 8.837 24.060 1.00 11.02 H new ATOM 0 HH22 ARG A 29 29.910 9.201 23.979 1.00 11.02 H new ATOM 445 N GLY A 30 26.176 15.207 27.376 1.00 12.33 N ATOM 446 CA GLY A 30 26.802 16.421 27.874 1.00 72.43 C ATOM 447 C GLY A 30 26.318 16.747 29.288 1.00 24.12 C ATOM 448 O GLY A 30 27.088 17.236 30.114 1.00 50.34 O ATOM 0 H GLY A 30 25.468 15.356 26.657 1.00 12.33 H new ATOM 0 HA2 GLY A 30 27.885 16.302 27.875 1.00 72.43 H new ATOM 0 HA3 GLY A 30 26.574 17.252 27.207 1.00 72.43 H new ATOM 452 N PHE A 31 25.046 16.463 29.525 1.00 62.44 N ATOM 453 CA PHE A 31 24.451 16.720 30.825 1.00 20.41 C ATOM 454 C PHE A 31 24.827 15.625 31.826 1.00 2.42 C ATOM 455 O PHE A 31 24.887 15.874 33.029 1.00 35.24 O ATOM 456 CB PHE A 31 22.933 16.717 30.631 1.00 65.22 C ATOM 457 CG PHE A 31 22.162 16.041 31.767 1.00 41.54 C ATOM 458 CD1 PHE A 31 21.812 16.756 32.870 1.00 71.14 C ATOM 459 CD2 PHE A 31 21.827 14.727 31.673 1.00 35.11 C ATOM 460 CE1 PHE A 31 21.096 16.129 33.924 1.00 41.24 C ATOM 461 CE2 PHE A 31 21.111 14.100 32.727 1.00 13.12 C ATOM 462 CZ PHE A 31 20.761 14.815 33.830 1.00 34.53 C ATOM 0 H PHE A 31 24.411 16.057 28.838 1.00 62.44 H new ATOM 0 HA PHE A 31 24.809 17.672 31.216 1.00 20.41 H new ATOM 0 HB2 PHE A 31 22.587 17.746 30.533 1.00 65.22 H new ATOM 0 HB3 PHE A 31 22.698 16.211 29.695 1.00 65.22 H new ATOM 0 HD1 PHE A 31 22.078 17.800 32.944 1.00 71.14 H new ATOM 0 HD2 PHE A 31 22.105 14.160 30.797 1.00 35.11 H new ATOM 0 HE1 PHE A 31 20.818 16.696 34.800 1.00 41.24 H new ATOM 0 HE2 PHE A 31 20.845 13.056 32.653 1.00 13.12 H new ATOM 0 HZ PHE A 31 20.217 14.338 34.632 1.00 34.53 H new ATOM 472 N ILE A 32 25.072 14.438 31.292 1.00 34.21 N ATOM 473 CA ILE A 32 25.440 13.305 32.124 1.00 63.22 C ATOM 474 C ILE A 32 26.685 13.660 32.939 1.00 65.11 C ATOM 475 O ILE A 32 26.771 13.334 34.122 1.00 62.12 O ATOM 476 CB ILE A 32 25.602 12.045 31.271 1.00 21.43 C ATOM 477 CG1 ILE A 32 25.005 10.825 31.977 1.00 53.25 C ATOM 478 CG2 ILE A 32 27.067 11.825 30.890 1.00 44.35 C ATOM 479 CD1 ILE A 32 24.296 9.908 30.979 1.00 75.54 C ATOM 0 H ILE A 32 25.023 14.236 30.293 1.00 34.21 H new ATOM 0 HA ILE A 32 24.646 13.080 32.836 1.00 63.22 H new ATOM 0 HB ILE A 32 25.046 12.186 30.344 1.00 21.43 H new ATOM 0 HG12 ILE A 32 25.794 10.273 32.487 1.00 53.25 H new ATOM 0 HG13 ILE A 32 24.300 11.151 32.741 1.00 53.25 H new ATOM 0 HG21 ILE A 32 27.154 10.923 30.284 1.00 44.35 H new ATOM 0 HG22 ILE A 32 27.427 12.681 30.320 1.00 44.35 H new ATOM 0 HG23 ILE A 32 27.665 11.714 31.794 1.00 44.35 H new ATOM 0 HD11 ILE A 32 23.881 9.049 31.506 1.00 75.54 H new ATOM 0 HD12 ILE A 32 23.492 10.457 30.489 1.00 75.54 H new ATOM 0 HD13 ILE A 32 25.010 9.564 30.230 1.00 75.54 H new ATOM 491 N HIS A 33 27.620 14.323 32.274 1.00 53.32 N ATOM 492 CA HIS A 33 28.856 14.726 32.922 1.00 43.23 C ATOM 493 C HIS A 33 28.626 16.018 33.709 1.00 30.42 C ATOM 494 O HIS A 33 29.451 16.399 34.538 1.00 12.11 O ATOM 495 CB HIS A 33 29.990 14.848 31.901 1.00 14.12 C ATOM 496 CG HIS A 33 29.834 16.007 30.946 1.00 54.12 C ATOM 497 ND1 HIS A 33 30.169 17.307 31.283 1.00 72.12 N ATOM 498 CD2 HIS A 33 29.376 16.048 29.661 1.00 23.04 C ATOM 499 CE1 HIS A 33 29.919 18.087 30.241 1.00 23.42 C ATOM 500 NE2 HIS A 33 29.428 17.305 29.237 1.00 32.45 N ATOM 0 H HIS A 33 27.546 14.591 31.293 1.00 53.32 H new ATOM 0 HA HIS A 33 29.165 13.959 33.632 1.00 43.23 H new ATOM 0 HB2 HIS A 33 30.935 14.954 32.434 1.00 14.12 H new ATOM 0 HB3 HIS A 33 30.050 13.923 31.327 1.00 14.12 H new ATOM 0 HD1 HIS A 33 30.544 17.613 32.181 1.00 72.12 H new ATOM 0 HD2 HIS A 33 29.030 15.201 29.087 1.00 23.04 H new ATOM 0 HE1 HIS A 33 30.076 19.154 30.195 1.00 23.42 H new ATOM 508 N GLY A 34 27.501 16.655 33.422 1.00 35.01 N ATOM 509 CA GLY A 34 27.151 17.896 34.093 1.00 20.40 C ATOM 510 C GLY A 34 26.066 18.649 33.322 1.00 53.24 C ATOM 511 O GLY A 34 25.729 19.781 33.664 1.00 55.50 O ATOM 0 H GLY A 34 26.819 16.335 32.734 1.00 35.01 H new ATOM 0 HA2 GLY A 34 26.802 17.681 35.103 1.00 20.40 H new ATOM 0 HA3 GLY A 34 28.037 18.524 34.189 1.00 20.40 H new TER 515 GLY A 34