USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=10 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+ -138:sc= -0.398 (180deg=-0.94) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1.37! C(o=-3!,f=-1.4!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.744 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.816 F(o=-1.8!,f=-0.82) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.608 F(o=-3.6!,f=-0.61) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -7.45! C(o=-7.4!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.142 -1.529 -2.589 1.00 42.11 N ATOM 2 CA VAL A 1 1.672 -0.588 -3.562 1.00 31.33 C ATOM 3 C VAL A 1 2.929 -1.179 -4.203 1.00 42.54 C ATOM 4 O VAL A 1 3.263 -2.339 -3.971 1.00 34.43 O ATOM 5 CB VAL A 1 1.920 0.767 -2.897 1.00 51.53 C ATOM 6 CG1 VAL A 1 0.659 1.272 -2.193 1.00 73.04 C ATOM 7 CG2 VAL A 1 3.099 0.694 -1.925 1.00 34.24 C ATOM 0 H1 VAL A 1 0.106 -1.567 -2.671 1.00 42.11 H new ATOM 0 H2 VAL A 1 1.538 -2.474 -2.768 1.00 42.11 H new ATOM 0 H3 VAL A 1 1.402 -1.221 -1.630 1.00 42.11 H new ATOM 0 HA VAL A 1 0.950 -0.416 -4.360 1.00 31.33 H new ATOM 0 HB VAL A 1 2.175 1.482 -3.679 1.00 51.53 H new ATOM 0 HG11 VAL A 1 0.863 2.237 -1.729 1.00 73.04 H new ATOM 0 HG12 VAL A 1 -0.145 1.382 -2.921 1.00 73.04 H new ATOM 0 HG13 VAL A 1 0.359 0.557 -1.427 1.00 73.04 H new ATOM 0 HG21 VAL A 1 3.253 1.671 -1.466 1.00 34.24 H new ATOM 0 HG22 VAL A 1 2.886 -0.042 -1.149 1.00 34.24 H new ATOM 0 HG23 VAL A 1 3.999 0.401 -2.466 1.00 34.24 H new ATOM 17 N PHE A 2 3.593 -0.352 -4.998 1.00 73.14 N ATOM 18 CA PHE A 2 4.806 -0.778 -5.675 1.00 40.34 C ATOM 19 C PHE A 2 5.525 0.413 -6.312 1.00 4.22 C ATOM 20 O PHE A 2 6.059 0.304 -7.415 1.00 22.45 O ATOM 21 CB PHE A 2 4.385 -1.752 -6.777 1.00 61.21 C ATOM 22 CG PHE A 2 3.680 -1.086 -7.961 1.00 32.54 C ATOM 23 CD1 PHE A 2 2.351 -0.806 -7.890 1.00 50.10 C ATOM 24 CD2 PHE A 2 4.382 -0.775 -9.083 1.00 71.30 C ATOM 25 CE1 PHE A 2 1.697 -0.188 -8.988 1.00 55.03 C ATOM 26 CE2 PHE A 2 3.727 -0.157 -10.181 1.00 65.43 C ATOM 27 CZ PHE A 2 2.399 0.123 -10.111 1.00 14.22 C ATOM 0 H PHE A 2 3.314 0.610 -5.188 1.00 73.14 H new ATOM 0 HA PHE A 2 5.487 -1.241 -4.961 1.00 40.34 H new ATOM 0 HB2 PHE A 2 5.269 -2.276 -7.142 1.00 61.21 H new ATOM 0 HB3 PHE A 2 3.722 -2.504 -6.349 1.00 61.21 H new ATOM 0 HD1 PHE A 2 1.794 -1.054 -6.999 1.00 50.10 H new ATOM 0 HD2 PHE A 2 5.437 -0.998 -9.139 1.00 71.30 H new ATOM 0 HE1 PHE A 2 0.642 0.035 -8.932 1.00 55.03 H new ATOM 0 HE2 PHE A 2 4.285 0.091 -11.072 1.00 65.43 H new ATOM 0 HZ PHE A 2 1.901 0.592 -10.947 1.00 14.22 H new ATOM 37 N HIS A 3 5.516 1.524 -5.590 1.00 24.15 N ATOM 38 CA HIS A 3 6.161 2.734 -6.070 1.00 5.22 C ATOM 39 C HIS A 3 6.060 3.827 -5.004 1.00 42.20 C ATOM 40 O HIS A 3 7.003 4.591 -4.802 1.00 14.34 O ATOM 41 CB HIS A 3 5.577 3.163 -7.417 1.00 13.41 C ATOM 42 CG HIS A 3 5.654 4.650 -7.674 1.00 74.52 C ATOM 43 ND1 HIS A 3 5.205 5.706 -6.937 1.00 2.01 N flip ATOM 44 CD2 HIS A 3 6.247 5.185 -8.804 1.00 62.02 C flip ATOM 45 CE1 HIS A 3 5.510 6.826 -7.581 1.00 3.12 C flip ATOM 46 NE2 HIS A 3 6.155 6.505 -8.739 1.00 13.01 N flip ATOM 0 H HIS A 3 5.072 1.611 -4.676 1.00 24.15 H new ATOM 0 HA HIS A 3 7.220 2.542 -6.244 1.00 5.22 H new ATOM 0 HB2 HIS A 3 6.105 2.639 -8.214 1.00 13.41 H new ATOM 0 HB3 HIS A 3 4.534 2.850 -7.466 1.00 13.41 H new ATOM 0 HD2 HIS A 3 6.707 4.622 -9.603 1.00 62.02 H new ATOM 0 HE1 HIS A 3 5.284 7.827 -7.243 1.00 3.12 H new ATOM 0 HE2 HIS A 3 6.505 7.165 -9.433 1.00 13.01 H new ATOM 54 N ALA A 4 4.908 3.867 -4.351 1.00 23.24 N ATOM 55 CA ALA A 4 4.671 4.854 -3.311 1.00 24.44 C ATOM 56 C ALA A 4 5.847 4.848 -2.331 1.00 51.44 C ATOM 57 O ALA A 4 6.351 5.906 -1.955 1.00 71.54 O ATOM 58 CB ALA A 4 3.337 4.559 -2.622 1.00 4.23 C ATOM 0 H ALA A 4 4.128 3.232 -4.522 1.00 23.24 H new ATOM 0 HA ALA A 4 4.603 5.854 -3.739 1.00 24.44 H new ATOM 0 HB1 ALA A 4 3.159 5.299 -1.842 1.00 4.23 H new ATOM 0 HB2 ALA A 4 2.531 4.603 -3.355 1.00 4.23 H new ATOM 0 HB3 ALA A 4 3.369 3.564 -2.178 1.00 4.23 H new ATOM 64 N TYR A 5 6.250 3.646 -1.946 1.00 54.33 N ATOM 65 CA TYR A 5 7.356 3.490 -1.018 1.00 24.50 C ATOM 66 C TYR A 5 8.684 3.864 -1.680 1.00 22.33 C ATOM 67 O TYR A 5 8.838 3.725 -2.892 1.00 44.22 O ATOM 68 CB TYR A 5 7.387 2.006 -0.644 1.00 54.24 C ATOM 69 CG TYR A 5 8.063 1.115 -1.688 1.00 41.31 C ATOM 70 CD1 TYR A 5 9.433 1.158 -1.848 1.00 42.22 C ATOM 71 CD2 TYR A 5 7.303 0.269 -2.470 1.00 22.33 C ATOM 72 CE1 TYR A 5 10.070 0.320 -2.831 1.00 31.34 C ATOM 73 CE2 TYR A 5 7.940 -0.570 -3.452 1.00 50.21 C ATOM 74 CZ TYR A 5 9.292 -0.503 -3.584 1.00 51.11 C ATOM 75 OH TYR A 5 9.893 -1.295 -4.512 1.00 3.21 O ATOM 0 H TYR A 5 5.830 2.771 -2.260 1.00 54.33 H new ATOM 0 HA TYR A 5 7.223 4.137 -0.151 1.00 24.50 H new ATOM 0 HB2 TYR A 5 7.907 1.892 0.307 1.00 54.24 H new ATOM 0 HB3 TYR A 5 6.365 1.659 -0.492 1.00 54.24 H new ATOM 0 HD1 TYR A 5 10.028 1.820 -1.236 1.00 42.22 H new ATOM 0 HD2 TYR A 5 6.231 0.236 -2.346 1.00 22.33 H new ATOM 0 HE1 TYR A 5 11.141 0.345 -2.967 1.00 31.34 H new ATOM 0 HE2 TYR A 5 7.357 -1.237 -4.070 1.00 50.21 H new ATOM 0 HH TYR A 5 9.214 -1.830 -4.974 1.00 3.21 H new ATOM 85 N SER A 6 9.609 4.330 -0.854 1.00 43.51 N ATOM 86 CA SER A 6 10.919 4.726 -1.344 1.00 60.40 C ATOM 87 C SER A 6 11.929 4.726 -0.195 1.00 3.11 C ATOM 88 O SER A 6 12.047 5.711 0.532 1.00 2.13 O ATOM 89 CB SER A 6 10.867 6.104 -2.005 1.00 53.23 C ATOM 90 OG SER A 6 10.128 6.084 -3.224 1.00 10.22 O ATOM 0 H SER A 6 9.478 4.442 0.151 1.00 43.51 H new ATOM 0 HA SER A 6 11.235 4.004 -2.097 1.00 60.40 H new ATOM 0 HB2 SER A 6 10.414 6.819 -1.318 1.00 53.23 H new ATOM 0 HB3 SER A 6 11.882 6.450 -2.202 1.00 53.23 H new ATOM 0 HG SER A 6 9.652 5.231 -3.304 1.00 10.22 H new ATOM 96 N ALA A 7 12.632 3.610 -0.067 1.00 43.41 N ATOM 97 CA ALA A 7 13.629 3.470 0.981 1.00 33.41 C ATOM 98 C ALA A 7 14.691 4.559 0.819 1.00 60.34 C ATOM 99 O ALA A 7 15.228 5.059 1.806 1.00 52.44 O ATOM 100 CB ALA A 7 14.225 2.061 0.933 1.00 41.51 C ATOM 0 H ALA A 7 12.531 2.795 -0.671 1.00 43.41 H new ATOM 0 HA ALA A 7 13.174 3.598 1.963 1.00 33.41 H new ATOM 0 HB1 ALA A 7 14.973 1.955 1.719 1.00 41.51 H new ATOM 0 HB2 ALA A 7 13.434 1.326 1.084 1.00 41.51 H new ATOM 0 HB3 ALA A 7 14.693 1.897 -0.038 1.00 41.51 H new ATOM 106 N ARG A 8 14.963 4.893 -0.434 1.00 53.32 N ATOM 107 CA ARG A 8 15.951 5.914 -0.739 1.00 22.23 C ATOM 108 C ARG A 8 15.486 7.276 -0.219 1.00 32.51 C ATOM 109 O ARG A 8 16.273 8.218 -0.146 1.00 32.03 O ATOM 110 CB ARG A 8 16.199 6.008 -2.245 1.00 41.35 C ATOM 111 CG ARG A 8 17.515 5.328 -2.628 1.00 72.54 C ATOM 112 CD ARG A 8 17.295 3.845 -2.938 1.00 3.22 C ATOM 113 NE ARG A 8 16.928 3.119 -1.702 1.00 1.24 N ATOM 114 CZ ARG A 8 17.115 1.795 -1.518 1.00 21.13 C ATOM 115 NH1 ARG A 8 17.668 1.039 -2.490 1.00 53.45 N ATOM 116 NH2 ARG A 8 16.749 1.250 -0.372 1.00 64.24 N ATOM 0 H ARG A 8 14.516 4.475 -1.250 1.00 53.32 H new ATOM 0 HA ARG A 8 16.881 5.632 -0.246 1.00 22.23 H new ATOM 0 HB2 ARG A 8 15.374 5.541 -2.783 1.00 41.35 H new ATOM 0 HB3 ARG A 8 16.225 7.055 -2.548 1.00 41.35 H new ATOM 0 HG2 ARG A 8 17.946 5.825 -3.497 1.00 72.54 H new ATOM 0 HG3 ARG A 8 18.232 5.431 -1.814 1.00 72.54 H new ATOM 0 HD2 ARG A 8 16.507 3.734 -3.683 1.00 3.22 H new ATOM 0 HD3 ARG A 8 18.201 3.416 -3.366 1.00 3.22 H new ATOM 0 HE ARG A 8 16.507 3.653 -0.941 1.00 1.24 H new ATOM 0 HH11 ARG A 8 17.948 1.468 -3.372 1.00 53.45 H new ATOM 0 HH12 ARG A 8 17.806 0.039 -2.342 1.00 53.45 H new ATOM 0 HH21 ARG A 8 16.332 1.828 0.358 1.00 64.24 H new ATOM 0 HH22 ARG A 8 16.883 0.251 -0.217 1.00 64.24 H new ATOM 129 N GLY A 9 14.209 7.336 0.129 1.00 73.44 N ATOM 130 CA GLY A 9 13.629 8.566 0.639 1.00 1.23 C ATOM 131 C GLY A 9 13.400 8.479 2.150 1.00 60.04 C ATOM 132 O GLY A 9 13.503 9.481 2.856 1.00 73.04 O ATOM 0 H GLY A 9 13.560 6.552 0.068 1.00 73.44 H new ATOM 0 HA2 GLY A 9 14.289 9.404 0.415 1.00 1.23 H new ATOM 0 HA3 GLY A 9 12.683 8.763 0.135 1.00 1.23 H new ATOM 136 N VAL A 10 13.094 7.271 2.601 1.00 50.44 N ATOM 137 CA VAL A 10 12.849 7.040 4.014 1.00 5.22 C ATOM 138 C VAL A 10 14.142 7.281 4.797 1.00 52.40 C ATOM 139 O VAL A 10 14.144 8.006 5.791 1.00 35.32 O ATOM 140 CB VAL A 10 12.277 5.637 4.224 1.00 73.14 C ATOM 141 CG1 VAL A 10 13.394 4.618 4.459 1.00 51.34 C ATOM 142 CG2 VAL A 10 11.270 5.622 5.375 1.00 13.13 C ATOM 0 H VAL A 10 13.010 6.442 2.012 1.00 50.44 H new ATOM 0 HA VAL A 10 12.104 7.740 4.392 1.00 5.22 H new ATOM 0 HB VAL A 10 11.750 5.351 3.314 1.00 73.14 H new ATOM 0 HG11 VAL A 10 12.959 3.629 4.605 1.00 51.34 H new ATOM 0 HG12 VAL A 10 14.057 4.599 3.594 1.00 51.34 H new ATOM 0 HG13 VAL A 10 13.963 4.899 5.345 1.00 51.34 H new ATOM 0 HG21 VAL A 10 10.879 4.613 5.503 1.00 13.13 H new ATOM 0 HG22 VAL A 10 11.763 5.939 6.294 1.00 13.13 H new ATOM 0 HG23 VAL A 10 10.450 6.303 5.150 1.00 13.13 H new ATOM 152 N ARG A 11 15.210 6.661 4.319 1.00 61.41 N ATOM 153 CA ARG A 11 16.506 6.799 4.961 1.00 20.34 C ATOM 154 C ARG A 11 17.014 8.236 4.828 1.00 64.42 C ATOM 155 O ARG A 11 17.571 8.791 5.773 1.00 4.23 O ATOM 156 CB ARG A 11 17.530 5.843 4.346 1.00 4.31 C ATOM 157 CG ARG A 11 17.742 6.148 2.862 1.00 50.12 C ATOM 158 CD ARG A 11 18.235 4.908 2.112 1.00 13.53 C ATOM 159 NE ARG A 11 19.110 4.100 2.991 1.00 54.42 N ATOM 160 CZ ARG A 11 20.357 4.464 3.359 1.00 54.24 C ATOM 161 NH1 ARG A 11 20.886 5.628 2.926 1.00 44.11 N ATOM 162 NH2 ARG A 11 21.050 3.665 4.148 1.00 60.25 N ATOM 0 H ARG A 11 15.205 6.061 3.494 1.00 61.41 H new ATOM 0 HA ARG A 11 16.382 6.551 6.015 1.00 20.34 H new ATOM 0 HB2 ARG A 11 18.478 5.928 4.878 1.00 4.31 H new ATOM 0 HB3 ARG A 11 17.190 4.814 4.465 1.00 4.31 H new ATOM 0 HG2 ARG A 11 16.808 6.496 2.422 1.00 50.12 H new ATOM 0 HG3 ARG A 11 18.466 6.955 2.753 1.00 50.12 H new ATOM 0 HD2 ARG A 11 17.385 4.310 1.782 1.00 13.53 H new ATOM 0 HD3 ARG A 11 18.781 5.207 1.217 1.00 13.53 H new ATOM 0 HE ARG A 11 18.748 3.213 3.341 1.00 54.42 H new ATOM 0 HH11 ARG A 11 20.343 6.239 2.316 1.00 44.11 H new ATOM 0 HH12 ARG A 11 21.829 5.896 3.208 1.00 44.11 H new ATOM 0 HH21 ARG A 11 20.642 2.787 4.470 1.00 60.25 H new ATOM 0 HH22 ARG A 11 21.994 3.925 4.435 1.00 60.25 H new ATOM 175 N ASN A 12 16.804 8.796 3.646 1.00 43.21 N ATOM 176 CA ASN A 12 17.234 10.158 3.376 1.00 24.23 C ATOM 177 C ASN A 12 16.549 11.109 4.360 1.00 71.43 C ATOM 178 O ASN A 12 17.030 12.215 4.597 1.00 45.44 O ATOM 179 CB ASN A 12 16.850 10.586 1.959 1.00 42.22 C ATOM 180 CG ASN A 12 18.026 10.411 0.995 1.00 32.44 C ATOM 181 OD1 ASN A 12 18.403 9.146 0.827 1.00 44.12 O flip ATOM 182 ND2 ASN A 12 18.555 11.360 0.442 1.00 53.43 N flip ATOM 0 H ASN A 12 16.342 8.332 2.864 1.00 43.21 H new ATOM 0 HA ASN A 12 18.318 10.197 3.483 1.00 24.23 H new ATOM 0 HB2 ASN A 12 16.002 9.995 1.614 1.00 42.22 H new ATOM 0 HB3 ASN A 12 16.531 11.628 1.964 1.00 42.22 H new ATOM 0 HD21 ASN A 12 18.215 12.306 0.616 1.00 53.43 H new ATOM 0 HD22 ASN A 12 19.337 11.208 -0.195 1.00 53.43 H new ATOM 189 N ASN A 13 15.436 10.642 4.906 1.00 54.12 N ATOM 190 CA ASN A 13 14.679 11.437 5.858 1.00 1.12 C ATOM 191 C ASN A 13 15.175 11.137 7.274 1.00 31.12 C ATOM 192 O ASN A 13 14.904 11.895 8.204 1.00 31.23 O ATOM 193 CB ASN A 13 13.188 11.098 5.797 1.00 4.14 C ATOM 194 CG ASN A 13 12.502 11.845 4.652 1.00 44.20 C ATOM 195 OD1 ASN A 13 13.236 11.931 3.546 1.00 43.10 O flip ATOM 196 ND2 ASN A 13 11.381 12.313 4.765 1.00 71.51 N flip ATOM 0 H ASN A 13 15.040 9.723 4.707 1.00 54.12 H new ATOM 0 HA ASN A 13 14.820 12.488 5.607 1.00 1.12 H new ATOM 0 HB2 ASN A 13 13.061 10.024 5.663 1.00 4.14 H new ATOM 0 HB3 ASN A 13 12.713 11.359 6.743 1.00 4.14 H new ATOM 0 HD21 ASN A 13 10.872 12.211 5.643 1.00 71.51 H new ATOM 0 HD22 ASN A 13 10.953 12.806 3.981 1.00 71.51 H new ATOM 203 N TYR A 14 15.893 10.030 7.393 1.00 35.41 N ATOM 204 CA TYR A 14 16.429 9.620 8.680 1.00 73.10 C ATOM 205 C TYR A 14 17.716 10.380 9.005 1.00 12.51 C ATOM 206 O TYR A 14 17.901 10.842 10.130 1.00 51.41 O ATOM 207 CB TYR A 14 16.750 8.130 8.548 1.00 64.03 C ATOM 208 CG TYR A 14 18.235 7.797 8.710 1.00 12.13 C ATOM 209 CD1 TYR A 14 18.877 8.069 9.901 1.00 14.45 C ATOM 210 CD2 TYR A 14 18.932 7.225 7.666 1.00 61.40 C ATOM 211 CE1 TYR A 14 20.274 7.756 10.055 1.00 52.04 C ATOM 212 CE2 TYR A 14 20.329 6.911 7.819 1.00 2.30 C ATOM 213 CZ TYR A 14 20.931 7.192 9.006 1.00 41.52 C ATOM 214 OH TYR A 14 22.251 6.897 9.150 1.00 34.44 O ATOM 0 H TYR A 14 16.116 9.404 6.619 1.00 35.41 H new ATOM 0 HA TYR A 14 15.713 9.824 9.476 1.00 73.10 H new ATOM 0 HB2 TYR A 14 16.181 7.578 9.296 1.00 64.03 H new ATOM 0 HB3 TYR A 14 16.414 7.782 7.571 1.00 64.03 H new ATOM 0 HD1 TYR A 14 18.331 8.517 10.718 1.00 14.45 H new ATOM 0 HD2 TYR A 14 18.430 7.013 6.734 1.00 61.40 H new ATOM 0 HE1 TYR A 14 20.788 7.964 10.982 1.00 52.04 H new ATOM 0 HE2 TYR A 14 20.886 6.463 7.010 1.00 2.30 H new ATOM 0 HH TYR A 14 22.589 6.498 8.321 1.00 34.44 H new ATOM 224 N LYS A 15 18.572 10.487 8.000 1.00 43.02 N ATOM 225 CA LYS A 15 19.837 11.184 8.165 1.00 72.34 C ATOM 226 C LYS A 15 19.568 12.616 8.631 1.00 21.35 C ATOM 227 O LYS A 15 20.459 13.277 9.162 1.00 43.13 O ATOM 228 CB LYS A 15 20.666 11.101 6.881 1.00 35.52 C ATOM 229 CG LYS A 15 19.794 11.352 5.649 1.00 44.03 C ATOM 230 CD LYS A 15 20.482 12.315 4.678 1.00 21.35 C ATOM 231 CE LYS A 15 20.035 13.756 4.927 1.00 14.43 C ATOM 232 NZ LYS A 15 21.110 14.704 4.557 1.00 33.15 N ATOM 0 H LYS A 15 18.415 10.103 7.068 1.00 43.02 H new ATOM 0 HA LYS A 15 20.438 10.704 8.937 1.00 72.34 H new ATOM 0 HB2 LYS A 15 21.472 11.834 6.916 1.00 35.52 H new ATOM 0 HB3 LYS A 15 21.132 10.118 6.807 1.00 35.52 H new ATOM 0 HG2 LYS A 15 19.589 10.407 5.146 1.00 44.03 H new ATOM 0 HG3 LYS A 15 18.833 11.765 5.957 1.00 44.03 H new ATOM 0 HD2 LYS A 15 21.564 12.241 4.792 1.00 21.35 H new ATOM 0 HD3 LYS A 15 20.249 12.030 3.652 1.00 21.35 H new ATOM 0 HE2 LYS A 15 19.138 13.970 4.346 1.00 14.43 H new ATOM 0 HE3 LYS A 15 19.774 13.885 5.977 1.00 14.43 H new ATOM 0 HZ1 LYS A 15 20.790 15.678 4.732 1.00 33.15 H new ATOM 0 HZ2 LYS A 15 21.956 14.510 5.129 1.00 33.15 H new ATOM 0 HZ3 LYS A 15 21.340 14.592 3.549 1.00 33.15 H new ATOM 245 N SER A 16 18.336 13.052 8.417 1.00 13.53 N ATOM 246 CA SER A 16 17.938 14.394 8.810 1.00 64.04 C ATOM 247 C SER A 16 17.788 14.472 10.330 1.00 34.52 C ATOM 248 O SER A 16 18.348 15.361 10.969 1.00 52.34 O ATOM 249 CB SER A 16 16.633 14.804 8.125 1.00 30.02 C ATOM 250 OG SER A 16 16.773 16.017 7.391 1.00 2.31 O ATOM 0 H SER A 16 17.600 12.500 7.977 1.00 13.53 H new ATOM 0 HA SER A 16 18.716 15.088 8.493 1.00 64.04 H new ATOM 0 HB2 SER A 16 16.311 14.009 7.453 1.00 30.02 H new ATOM 0 HB3 SER A 16 15.851 14.923 8.875 1.00 30.02 H new ATOM 0 HG SER A 16 15.919 16.243 6.967 1.00 2.31 H new ATOM 256 N ALA A 17 17.028 13.528 10.866 1.00 21.43 N ATOM 257 CA ALA A 17 16.796 13.478 12.300 1.00 65.21 C ATOM 258 C ALA A 17 18.122 13.215 13.017 1.00 1.34 C ATOM 259 O ALA A 17 18.215 13.371 14.234 1.00 31.10 O ATOM 260 CB ALA A 17 15.744 12.411 12.610 1.00 3.44 C ATOM 0 H ALA A 17 16.565 12.792 10.333 1.00 21.43 H new ATOM 0 HA ALA A 17 16.409 14.431 12.660 1.00 65.21 H new ATOM 0 HB1 ALA A 17 15.570 12.373 13.685 1.00 3.44 H new ATOM 0 HB2 ALA A 17 14.813 12.659 12.100 1.00 3.44 H new ATOM 0 HB3 ALA A 17 16.099 11.440 12.266 1.00 3.44 H new ATOM 266 N VAL A 18 19.115 12.822 12.233 1.00 32.43 N ATOM 267 CA VAL A 18 20.431 12.536 12.779 1.00 60.04 C ATOM 268 C VAL A 18 21.161 13.852 13.053 1.00 1.21 C ATOM 269 O VAL A 18 21.973 13.936 13.973 1.00 31.35 O ATOM 270 CB VAL A 18 21.200 11.612 11.832 1.00 22.24 C ATOM 271 CG1 VAL A 18 22.710 11.765 12.023 1.00 4.54 C ATOM 272 CG2 VAL A 18 20.769 10.156 12.018 1.00 22.50 C ATOM 0 H VAL A 18 19.035 12.695 11.224 1.00 32.43 H new ATOM 0 HA VAL A 18 20.345 12.008 13.729 1.00 60.04 H new ATOM 0 HB VAL A 18 20.960 11.905 10.810 1.00 22.24 H new ATOM 0 HG11 VAL A 18 23.233 11.097 11.338 1.00 4.54 H new ATOM 0 HG12 VAL A 18 23.000 12.795 11.818 1.00 4.54 H new ATOM 0 HG13 VAL A 18 22.974 11.511 13.050 1.00 4.54 H new ATOM 0 HG21 VAL A 18 21.330 9.520 11.333 1.00 22.50 H new ATOM 0 HG22 VAL A 18 20.966 9.847 13.044 1.00 22.50 H new ATOM 0 HG23 VAL A 18 19.703 10.062 11.809 1.00 22.50 H new ATOM 282 N GLY A 19 20.846 14.848 12.238 1.00 61.13 N ATOM 283 CA GLY A 19 21.462 16.156 12.381 1.00 0.11 C ATOM 284 C GLY A 19 21.276 16.697 13.800 1.00 3.03 C ATOM 285 O GLY A 19 22.252 17.000 14.485 1.00 14.35 O ATOM 0 H GLY A 19 20.172 14.775 11.476 1.00 61.13 H new ATOM 0 HA2 GLY A 19 22.525 16.089 12.150 1.00 0.11 H new ATOM 0 HA3 GLY A 19 21.023 16.849 11.663 1.00 0.11 H new ATOM 289 N PRO A 20 19.984 16.804 14.210 1.00 51.21 N ATOM 290 CA PRO A 20 19.658 17.303 15.535 1.00 53.21 C ATOM 291 C PRO A 20 19.946 16.248 16.605 1.00 75.34 C ATOM 292 O PRO A 20 20.188 16.583 17.763 1.00 33.21 O ATOM 293 CB PRO A 20 18.189 17.688 15.460 1.00 61.20 C ATOM 294 CG PRO A 20 17.630 16.962 14.247 1.00 53.51 C ATOM 295 CD PRO A 20 18.803 16.454 13.425 1.00 2.45 C ATOM 0 HA PRO A 20 20.267 18.160 15.823 1.00 53.21 H new ATOM 0 HB2 PRO A 20 17.662 17.395 16.368 1.00 61.20 H new ATOM 0 HB3 PRO A 20 18.073 18.767 15.358 1.00 61.20 H new ATOM 0 HG2 PRO A 20 16.995 16.133 14.558 1.00 53.51 H new ATOM 0 HG3 PRO A 20 17.010 17.633 13.653 1.00 53.51 H new ATOM 0 HD2 PRO A 20 18.738 15.378 13.265 1.00 2.45 H new ATOM 0 HD3 PRO A 20 18.829 16.921 12.441 1.00 2.45 H new ATOM 303 N ALA A 21 19.910 14.994 16.178 1.00 72.10 N ATOM 304 CA ALA A 21 20.164 13.887 17.085 1.00 50.33 C ATOM 305 C ALA A 21 21.499 14.114 17.797 1.00 20.40 C ATOM 306 O ALA A 21 21.717 13.598 18.892 1.00 5.23 O ATOM 307 CB ALA A 21 20.135 12.571 16.305 1.00 50.21 C ATOM 0 H ALA A 21 19.709 14.720 15.216 1.00 72.10 H new ATOM 0 HA ALA A 21 19.388 13.830 17.849 1.00 50.33 H new ATOM 0 HB1 ALA A 21 20.325 11.741 16.985 1.00 50.21 H new ATOM 0 HB2 ALA A 21 19.156 12.444 15.842 1.00 50.21 H new ATOM 0 HB3 ALA A 21 20.903 12.590 15.531 1.00 50.21 H new ATOM 313 N ASP A 22 22.357 14.885 17.146 1.00 2.11 N ATOM 314 CA ASP A 22 23.665 15.186 17.704 1.00 71.04 C ATOM 315 C ASP A 22 23.501 16.132 18.894 1.00 3.55 C ATOM 316 O ASP A 22 24.255 16.053 19.863 1.00 32.45 O ATOM 317 CB ASP A 22 24.558 15.876 16.671 1.00 64.32 C ATOM 318 CG ASP A 22 26.028 15.452 16.701 1.00 22.33 C ATOM 319 OD1 ASP A 22 26.933 16.267 16.469 1.00 1.11 O ATOM 320 OD2 ASP A 22 26.231 14.209 16.982 1.00 64.05 O ATOM 0 H ASP A 22 22.173 15.310 16.238 1.00 2.11 H new ATOM 0 HA ASP A 22 24.126 14.247 18.010 1.00 71.04 H new ATOM 0 HB2 ASP A 22 24.158 15.677 15.677 1.00 64.32 H new ATOM 0 HB3 ASP A 22 24.503 16.953 16.827 1.00 64.32 H new ATOM 326 N TRP A 23 22.512 17.007 18.783 1.00 22.20 N ATOM 327 CA TRP A 23 22.240 17.968 19.839 1.00 61.44 C ATOM 328 C TRP A 23 21.623 17.213 21.017 1.00 35.44 C ATOM 329 O TRP A 23 22.080 17.344 22.152 1.00 63.34 O ATOM 330 CB TRP A 23 21.355 19.107 19.329 1.00 61.55 C ATOM 331 CG TRP A 23 19.855 18.829 19.446 1.00 50.41 C ATOM 332 CD1 TRP A 23 18.964 18.681 18.457 1.00 75.45 C ATOM 333 CD2 TRP A 23 19.103 18.673 20.668 1.00 75.15 C ATOM 334 NE1 TRP A 23 17.697 18.441 18.949 1.00 72.31 N ATOM 335 CE2 TRP A 23 17.784 18.436 20.336 1.00 21.32 C ATOM 336 CE3 TRP A 23 19.522 18.730 22.008 1.00 23.42 C ATOM 337 CZ2 TRP A 23 16.778 18.237 21.289 1.00 20.31 C ATOM 338 CZ3 TRP A 23 18.505 18.529 22.949 1.00 74.34 C ATOM 339 CH2 TRP A 23 17.173 18.289 22.631 1.00 12.03 C ATOM 0 H TRP A 23 21.889 17.071 17.978 1.00 22.20 H new ATOM 0 HA TRP A 23 23.161 18.444 20.175 1.00 61.44 H new ATOM 0 HB2 TRP A 23 21.591 20.014 19.886 1.00 61.55 H new ATOM 0 HB3 TRP A 23 21.598 19.302 18.284 1.00 61.55 H new ATOM 0 HD1 TRP A 23 19.207 18.742 17.406 1.00 75.45 H new ATOM 0 HE1 TRP A 23 16.852 18.294 18.396 1.00 72.31 H new ATOM 0 HE3 TRP A 23 20.548 18.914 22.290 1.00 23.42 H new ATOM 0 HZ2 TRP A 23 15.753 18.053 21.004 1.00 20.31 H new ATOM 0 HZ3 TRP A 23 18.774 18.563 23.994 1.00 74.34 H new ATOM 0 HH2 TRP A 23 16.446 18.143 23.416 1.00 12.03 H new ATOM 350 N VAL A 24 20.592 16.439 20.709 1.00 63.22 N ATOM 351 CA VAL A 24 19.907 15.663 21.729 1.00 62.35 C ATOM 352 C VAL A 24 20.916 14.757 22.437 1.00 20.33 C ATOM 353 O VAL A 24 20.996 14.751 23.665 1.00 54.33 O ATOM 354 CB VAL A 24 18.744 14.889 21.104 1.00 23.01 C ATOM 355 CG1 VAL A 24 19.034 13.387 21.083 1.00 72.20 C ATOM 356 CG2 VAL A 24 17.433 15.185 21.836 1.00 65.34 C ATOM 0 H VAL A 24 20.215 16.333 19.767 1.00 63.22 H new ATOM 0 HA VAL A 24 19.475 16.320 22.483 1.00 62.35 H new ATOM 0 HB VAL A 24 18.634 15.223 20.072 1.00 23.01 H new ATOM 0 HG11 VAL A 24 18.192 12.860 20.634 1.00 72.20 H new ATOM 0 HG12 VAL A 24 19.934 13.198 20.498 1.00 72.20 H new ATOM 0 HG13 VAL A 24 19.183 13.031 22.102 1.00 72.20 H new ATOM 0 HG21 VAL A 24 16.622 14.623 21.372 1.00 65.34 H new ATOM 0 HG22 VAL A 24 17.526 14.892 22.882 1.00 65.34 H new ATOM 0 HG23 VAL A 24 17.216 16.251 21.776 1.00 65.34 H new ATOM 366 N ILE A 25 21.661 14.012 21.634 1.00 44.44 N ATOM 367 CA ILE A 25 22.662 13.104 22.169 1.00 52.44 C ATOM 368 C ILE A 25 23.755 13.913 22.870 1.00 32.14 C ATOM 369 O ILE A 25 24.329 13.460 23.859 1.00 33.15 O ATOM 370 CB ILE A 25 23.190 12.181 21.069 1.00 40.12 C ATOM 371 CG1 ILE A 25 23.467 10.779 21.616 1.00 53.21 C ATOM 372 CG2 ILE A 25 24.421 12.785 20.390 1.00 3.05 C ATOM 373 CD1 ILE A 25 22.311 9.828 21.297 1.00 43.33 C ATOM 0 H ILE A 25 21.592 14.018 20.616 1.00 44.44 H new ATOM 0 HA ILE A 25 22.220 12.448 22.919 1.00 52.44 H new ATOM 0 HB ILE A 25 22.418 12.082 20.306 1.00 40.12 H new ATOM 0 HG12 ILE A 25 24.390 10.392 21.185 1.00 53.21 H new ATOM 0 HG13 ILE A 25 23.615 10.828 22.695 1.00 53.21 H new ATOM 0 HG21 ILE A 25 24.776 12.109 19.612 1.00 3.05 H new ATOM 0 HG22 ILE A 25 24.157 13.744 19.944 1.00 3.05 H new ATOM 0 HG23 ILE A 25 25.208 12.933 21.129 1.00 3.05 H new ATOM 0 HD11 ILE A 25 22.533 8.839 21.697 1.00 43.33 H new ATOM 0 HD12 ILE A 25 21.394 10.205 21.750 1.00 43.33 H new ATOM 0 HD13 ILE A 25 22.181 9.762 20.217 1.00 43.33 H new ATOM 385 N SER A 26 24.010 15.096 22.331 1.00 32.10 N ATOM 386 CA SER A 26 25.024 15.972 22.893 1.00 32.22 C ATOM 387 C SER A 26 24.579 16.472 24.269 1.00 54.53 C ATOM 388 O SER A 26 25.397 16.619 25.175 1.00 64.31 O ATOM 389 CB SER A 26 25.307 17.154 21.964 1.00 31.11 C ATOM 390 OG SER A 26 25.964 18.221 22.643 1.00 65.33 O ATOM 0 H SER A 26 23.532 15.469 21.511 1.00 32.10 H new ATOM 0 HA SER A 26 25.947 15.402 23.002 1.00 32.22 H new ATOM 0 HB2 SER A 26 25.925 16.820 21.130 1.00 31.11 H new ATOM 0 HB3 SER A 26 24.370 17.516 21.542 1.00 31.11 H new ATOM 0 HG SER A 26 26.129 18.956 22.016 1.00 65.33 H new ATOM 396 N ALA A 27 23.282 16.721 24.381 1.00 2.42 N ATOM 397 CA ALA A 27 22.718 17.203 25.631 1.00 62.31 C ATOM 398 C ALA A 27 22.746 16.076 26.665 1.00 22.24 C ATOM 399 O ALA A 27 22.894 16.329 27.860 1.00 21.41 O ATOM 400 CB ALA A 27 21.304 17.731 25.383 1.00 41.41 C ATOM 0 H ALA A 27 22.606 16.598 23.627 1.00 2.42 H new ATOM 0 HA ALA A 27 23.310 18.029 26.026 1.00 62.31 H new ATOM 0 HB1 ALA A 27 20.881 18.092 26.320 1.00 41.41 H new ATOM 0 HB2 ALA A 27 21.342 18.548 24.663 1.00 41.41 H new ATOM 0 HB3 ALA A 27 20.680 16.929 24.989 1.00 41.41 H new ATOM 406 N VAL A 28 22.602 14.856 26.169 1.00 51.03 N ATOM 407 CA VAL A 28 22.609 13.689 27.035 1.00 12.51 C ATOM 408 C VAL A 28 24.015 13.489 27.603 1.00 44.53 C ATOM 409 O VAL A 28 24.189 13.379 28.815 1.00 5.44 O ATOM 410 CB VAL A 28 22.093 12.468 26.272 1.00 33.20 C ATOM 411 CG1 VAL A 28 22.174 11.207 27.135 1.00 5.44 C ATOM 412 CG2 VAL A 28 20.666 12.697 25.770 1.00 14.44 C ATOM 0 H VAL A 28 22.480 14.650 25.178 1.00 51.03 H new ATOM 0 HA VAL A 28 21.936 13.836 27.879 1.00 12.51 H new ATOM 0 HB VAL A 28 22.734 12.321 25.403 1.00 33.20 H new ATOM 0 HG11 VAL A 28 21.801 10.354 26.568 1.00 5.44 H new ATOM 0 HG12 VAL A 28 23.210 11.028 27.421 1.00 5.44 H new ATOM 0 HG13 VAL A 28 21.568 11.340 28.031 1.00 5.44 H new ATOM 0 HG21 VAL A 28 20.324 11.814 25.231 1.00 14.44 H new ATOM 0 HG22 VAL A 28 20.007 12.882 26.618 1.00 14.44 H new ATOM 0 HG23 VAL A 28 20.649 13.558 25.102 1.00 14.44 H new ATOM 422 N ARG A 29 24.983 13.448 26.699 1.00 43.51 N ATOM 423 CA ARG A 29 26.369 13.264 27.094 1.00 22.44 C ATOM 424 C ARG A 29 26.895 14.521 27.789 1.00 43.32 C ATOM 425 O ARG A 29 27.813 14.446 28.605 1.00 54.41 O ATOM 426 CB ARG A 29 27.251 12.952 25.883 1.00 34.53 C ATOM 427 CG ARG A 29 27.194 14.085 24.857 1.00 2.35 C ATOM 428 CD ARG A 29 27.358 13.546 23.435 1.00 42.31 C ATOM 429 NE ARG A 29 28.076 12.252 23.464 1.00 53.23 N ATOM 430 CZ ARG A 29 29.419 12.130 23.407 1.00 51.11 C ATOM 431 NH1 ARG A 29 30.203 13.225 23.318 1.00 43.23 N ATOM 432 NH2 ARG A 29 29.954 10.924 23.440 1.00 71.21 N ATOM 0 H ARG A 29 24.835 13.539 25.694 1.00 43.51 H new ATOM 0 HA ARG A 29 26.407 12.421 27.784 1.00 22.44 H new ATOM 0 HB2 ARG A 29 28.281 12.802 26.208 1.00 34.53 H new ATOM 0 HB3 ARG A 29 26.924 12.021 25.420 1.00 34.53 H new ATOM 0 HG2 ARG A 29 26.243 14.611 24.943 1.00 2.35 H new ATOM 0 HG3 ARG A 29 27.980 14.811 25.067 1.00 2.35 H new ATOM 0 HD2 ARG A 29 26.380 13.418 22.971 1.00 42.31 H new ATOM 0 HD3 ARG A 29 27.909 14.263 22.827 1.00 42.31 H new ATOM 0 HE ARG A 29 27.521 11.399 23.531 1.00 53.23 H new ATOM 0 HH11 ARG A 29 29.781 14.153 23.293 1.00 43.23 H new ATOM 0 HH12 ARG A 29 31.217 13.124 23.275 1.00 43.23 H new ATOM 0 HH21 ARG A 29 29.354 10.102 23.508 1.00 71.21 H new ATOM 0 HH22 ARG A 29 30.967 10.814 23.398 1.00 71.21 H new ATOM 445 N GLY A 30 26.292 15.648 27.439 1.00 31.14 N ATOM 446 CA GLY A 30 26.688 16.920 28.019 1.00 42.11 C ATOM 447 C GLY A 30 26.224 17.028 29.473 1.00 43.51 C ATOM 448 O GLY A 30 26.923 17.597 30.310 1.00 11.43 O ATOM 0 H GLY A 30 25.532 15.706 26.761 1.00 31.14 H new ATOM 0 HA2 GLY A 30 27.772 17.024 27.971 1.00 42.11 H new ATOM 0 HA3 GLY A 30 26.263 17.737 27.436 1.00 42.11 H new ATOM 452 N PHE A 31 25.049 16.474 29.728 1.00 34.34 N ATOM 453 CA PHE A 31 24.483 16.501 31.067 1.00 62.24 C ATOM 454 C PHE A 31 25.122 15.430 31.954 1.00 40.24 C ATOM 455 O PHE A 31 25.194 15.590 33.171 1.00 34.52 O ATOM 456 CB PHE A 31 22.989 16.205 30.927 1.00 54.02 C ATOM 457 CG PHE A 31 22.428 15.299 32.025 1.00 0.43 C ATOM 458 CD1 PHE A 31 22.000 15.838 33.198 1.00 12.31 C ATOM 459 CD2 PHE A 31 22.358 13.955 31.829 1.00 40.53 C ATOM 460 CE1 PHE A 31 21.479 14.998 34.218 1.00 64.24 C ATOM 461 CE2 PHE A 31 21.838 13.115 32.848 1.00 12.01 C ATOM 462 CZ PHE A 31 21.409 13.654 34.021 1.00 24.10 C ATOM 0 H PHE A 31 24.472 16.003 29.031 1.00 34.34 H new ATOM 0 HA PHE A 31 24.664 17.472 31.528 1.00 62.24 H new ATOM 0 HB2 PHE A 31 22.441 17.147 30.932 1.00 54.02 H new ATOM 0 HB3 PHE A 31 22.811 15.738 29.958 1.00 54.02 H new ATOM 0 HD1 PHE A 31 22.056 16.905 33.354 1.00 12.31 H new ATOM 0 HD2 PHE A 31 22.698 13.527 30.898 1.00 40.53 H new ATOM 0 HE1 PHE A 31 21.139 15.426 35.149 1.00 64.24 H new ATOM 0 HE2 PHE A 31 21.783 12.048 32.692 1.00 12.01 H new ATOM 0 HZ PHE A 31 21.013 13.015 34.796 1.00 24.10 H new ATOM 472 N ILE A 32 25.570 14.363 31.309 1.00 40.12 N ATOM 473 CA ILE A 32 26.201 13.267 32.024 1.00 75.51 C ATOM 474 C ILE A 32 27.391 13.802 32.822 1.00 31.43 C ATOM 475 O ILE A 32 27.602 13.407 33.968 1.00 11.43 O ATOM 476 CB ILE A 32 26.565 12.137 31.059 1.00 62.23 C ATOM 477 CG1 ILE A 32 26.260 10.770 31.674 1.00 24.34 C ATOM 478 CG2 ILE A 32 28.023 12.250 30.608 1.00 51.23 C ATOM 479 CD1 ILE A 32 25.699 9.809 30.625 1.00 73.42 C ATOM 0 H ILE A 32 25.508 14.234 30.299 1.00 40.12 H new ATOM 0 HA ILE A 32 25.506 12.830 32.742 1.00 75.51 H new ATOM 0 HB ILE A 32 25.943 12.235 30.169 1.00 62.23 H new ATOM 0 HG12 ILE A 32 27.169 10.351 32.107 1.00 24.34 H new ATOM 0 HG13 ILE A 32 25.543 10.885 32.487 1.00 24.34 H new ATOM 0 HG21 ILE A 32 28.256 11.435 29.923 1.00 51.23 H new ATOM 0 HG22 ILE A 32 28.175 13.204 30.102 1.00 51.23 H new ATOM 0 HG23 ILE A 32 28.678 12.192 31.477 1.00 51.23 H new ATOM 0 HD11 ILE A 32 25.491 8.845 31.089 1.00 73.42 H new ATOM 0 HD12 ILE A 32 24.778 10.219 30.212 1.00 73.42 H new ATOM 0 HD13 ILE A 32 26.428 9.677 29.826 1.00 73.42 H new ATOM 491 N HIS A 33 28.138 14.691 32.185 1.00 11.33 N ATOM 492 CA HIS A 33 29.302 15.284 32.822 1.00 53.41 C ATOM 493 C HIS A 33 28.860 16.436 33.728 1.00 61.41 C ATOM 494 O HIS A 33 29.635 16.910 34.557 1.00 33.24 O ATOM 495 CB HIS A 33 30.333 15.715 31.776 1.00 35.44 C ATOM 496 CG HIS A 33 29.898 16.890 30.933 1.00 24.31 C ATOM 497 ND1 HIS A 33 29.984 18.200 31.372 1.00 63.43 N ATOM 498 CD2 HIS A 33 29.376 16.939 29.674 1.00 35.43 C ATOM 499 CE1 HIS A 33 29.530 18.992 30.412 1.00 11.54 C ATOM 500 NE2 HIS A 33 29.153 18.209 29.361 1.00 13.15 N ATOM 0 H HIS A 33 27.960 15.015 31.234 1.00 11.33 H new ATOM 0 HA HIS A 33 29.795 14.542 33.450 1.00 53.41 H new ATOM 0 HB2 HIS A 33 31.264 15.969 32.282 1.00 35.44 H new ATOM 0 HB3 HIS A 33 30.546 14.870 31.121 1.00 35.44 H new ATOM 0 HD1 HIS A 33 30.337 18.504 32.280 1.00 63.43 H new ATOM 0 HD2 HIS A 33 29.178 16.088 29.039 1.00 35.43 H new ATOM 0 HE1 HIS A 33 29.469 20.069 30.454 1.00 11.54 H new ATOM 508 N GLY A 34 27.617 16.852 33.538 1.00 33.33 N ATOM 509 CA GLY A 34 27.063 17.938 34.328 1.00 55.30 C ATOM 510 C GLY A 34 26.347 17.404 35.571 1.00 63.15 C ATOM 511 O GLY A 34 26.367 18.039 36.624 1.00 63.32 O ATOM 0 H GLY A 34 26.978 16.457 32.849 1.00 33.33 H new ATOM 0 HA2 GLY A 34 27.861 18.618 34.628 1.00 55.30 H new ATOM 0 HA3 GLY A 34 26.364 18.514 33.721 1.00 55.30 H new TER 515 GLY A 34