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+ -149:sc= -1.97 (180deg=-5.19!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.526 F(o=-1.5!,f=-0.53) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 90:sc= 1.58 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.862 F(o=-2!,f=-0.86) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.352 F(o=-2.2,f=-0.35) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.21) 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= -7.5! C(o=-7.5!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.090 0.505 -1.296 1.00 21.21 N ATOM 2 CA VAL A 1 5.307 1.180 -0.275 1.00 0.00 C ATOM 3 C VAL A 1 5.078 2.634 -0.693 1.00 33.13 C ATOM 4 O VAL A 1 5.649 3.098 -1.679 1.00 34.35 O ATOM 5 CB VAL A 1 5.997 1.050 1.085 1.00 54.33 C ATOM 6 CG1 VAL A 1 5.027 1.369 2.224 1.00 13.50 C ATOM 7 CG2 VAL A 1 6.608 -0.341 1.259 1.00 62.44 C ATOM 0 H1 VAL A 1 5.827 -0.501 -1.327 1.00 21.21 H new ATOM 0 H2 VAL A 1 5.903 0.941 -2.222 1.00 21.21 H new ATOM 0 H3 VAL A 1 7.102 0.591 -1.071 1.00 21.21 H new ATOM 0 HA VAL A 1 4.328 0.713 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 1 6.807 1.778 1.121 1.00 54.33 H new ATOM 0 HG11 VAL A 1 5.542 1.269 3.179 1.00 13.50 H new ATOM 0 HG12 VAL A 1 4.660 2.390 2.114 1.00 13.50 H new ATOM 0 HG13 VAL A 1 4.186 0.676 2.191 1.00 13.50 H new ATOM 0 HG21 VAL A 1 7.092 -0.407 2.233 1.00 62.44 H new ATOM 0 HG22 VAL A 1 5.823 -1.094 1.192 1.00 62.44 H new ATOM 0 HG23 VAL A 1 7.345 -0.515 0.475 1.00 62.44 H new ATOM 17 N PHE A 2 4.241 3.313 0.078 1.00 31.33 N ATOM 18 CA PHE A 2 3.929 4.704 -0.199 1.00 41.43 C ATOM 19 C PHE A 2 4.954 5.636 0.450 1.00 4.20 C ATOM 20 O PHE A 2 4.719 6.838 0.569 1.00 32.53 O ATOM 21 CB PHE A 2 2.551 4.983 0.404 1.00 72.23 C ATOM 22 CG PHE A 2 1.390 4.757 -0.567 1.00 12.20 C ATOM 23 CD1 PHE A 2 1.568 3.985 -1.672 1.00 73.20 C ATOM 24 CD2 PHE A 2 0.180 5.329 -0.325 1.00 11.24 C ATOM 25 CE1 PHE A 2 0.490 3.775 -2.573 1.00 1.31 C ATOM 26 CE2 PHE A 2 -0.898 5.120 -1.225 1.00 65.24 C ATOM 27 CZ PHE A 2 -0.720 4.347 -2.331 1.00 2.35 C ATOM 0 H PHE A 2 3.769 2.925 0.895 1.00 31.33 H new ATOM 0 HA PHE A 2 3.946 4.881 -1.274 1.00 41.43 H new ATOM 0 HB2 PHE A 2 2.411 4.344 1.276 1.00 72.23 H new ATOM 0 HB3 PHE A 2 2.522 6.014 0.756 1.00 72.23 H new ATOM 0 HD1 PHE A 2 2.529 3.531 -1.865 1.00 73.20 H new ATOM 0 HD2 PHE A 2 0.039 5.943 0.552 1.00 11.24 H new ATOM 0 HE1 PHE A 2 0.631 3.161 -3.450 1.00 1.31 H new ATOM 0 HE2 PHE A 2 -1.859 5.574 -1.032 1.00 65.24 H new ATOM 0 HZ PHE A 2 -1.539 4.188 -3.016 1.00 2.35 H new ATOM 37 N HIS A 3 6.071 5.047 0.853 1.00 74.24 N ATOM 38 CA HIS A 3 7.133 5.809 1.487 1.00 52.03 C ATOM 39 C HIS A 3 8.322 4.891 1.774 1.00 23.30 C ATOM 40 O HIS A 3 9.474 5.295 1.622 1.00 21.15 O ATOM 41 CB HIS A 3 6.617 6.521 2.739 1.00 43.00 C ATOM 42 CG HIS A 3 7.696 6.864 3.739 1.00 62.35 C ATOM 43 ND1 HIS A 3 8.495 6.060 4.498 1.00 60.33 N flip ATOM 44 CD2 HIS A 3 8.048 8.167 4.045 1.00 42.41 C flip ATOM 45 CE1 HIS A 3 9.293 6.831 5.227 1.00 52.11 C flip ATOM 46 NE2 HIS A 3 9.017 8.137 4.948 1.00 30.11 N flip ATOM 0 H HIS A 3 6.263 4.050 0.752 1.00 74.24 H new ATOM 0 HA HIS A 3 7.478 6.591 0.811 1.00 52.03 H new ATOM 0 HB2 HIS A 3 6.109 7.438 2.440 1.00 43.00 H new ATOM 0 HB3 HIS A 3 5.874 5.888 3.224 1.00 43.00 H new ATOM 0 HD2 HIS A 3 7.608 9.057 3.620 1.00 42.41 H new ATOM 0 HE1 HIS A 3 10.038 6.481 5.926 1.00 52.11 H new ATOM 0 HE2 HIS A 3 9.476 8.948 5.362 1.00 30.11 H new ATOM 54 N ALA A 4 8.002 3.672 2.184 1.00 45.12 N ATOM 55 CA ALA A 4 9.030 2.693 2.494 1.00 64.13 C ATOM 56 C ALA A 4 9.790 2.334 1.215 1.00 55.54 C ATOM 57 O ALA A 4 10.943 1.910 1.271 1.00 14.02 O ATOM 58 CB ALA A 4 8.389 1.470 3.153 1.00 52.30 C ATOM 0 H ALA A 4 7.046 3.340 2.309 1.00 45.12 H new ATOM 0 HA ALA A 4 9.750 3.105 3.201 1.00 64.13 H new ATOM 0 HB1 ALA A 4 9.160 0.736 3.385 1.00 52.30 H new ATOM 0 HB2 ALA A 4 7.888 1.773 4.072 1.00 52.30 H new ATOM 0 HB3 ALA A 4 7.662 1.029 2.471 1.00 52.30 H new ATOM 64 N TYR A 5 9.112 2.519 0.091 1.00 32.51 N ATOM 65 CA TYR A 5 9.708 2.220 -1.200 1.00 30.11 C ATOM 66 C TYR A 5 10.901 3.137 -1.478 1.00 72.33 C ATOM 67 O TYR A 5 11.281 3.942 -0.630 1.00 13.03 O ATOM 68 CB TYR A 5 8.619 2.490 -2.240 1.00 32.11 C ATOM 69 CG TYR A 5 8.484 3.963 -2.632 1.00 64.41 C ATOM 70 CD1 TYR A 5 8.488 4.940 -1.657 1.00 61.42 C ATOM 71 CD2 TYR A 5 8.360 4.314 -3.961 1.00 15.22 C ATOM 72 CE1 TYR A 5 8.362 6.326 -2.026 1.00 73.34 C ATOM 73 CE2 TYR A 5 8.233 5.700 -4.330 1.00 1.30 C ATOM 74 CZ TYR A 5 8.240 6.638 -3.345 1.00 24.35 C ATOM 75 OH TYR A 5 8.121 7.947 -3.693 1.00 60.22 O ATOM 0 H TYR A 5 8.156 2.872 0.048 1.00 32.51 H new ATOM 0 HA TYR A 5 10.067 1.191 -1.228 1.00 30.11 H new ATOM 0 HB2 TYR A 5 8.832 1.905 -3.134 1.00 32.11 H new ATOM 0 HB3 TYR A 5 7.663 2.139 -1.850 1.00 32.11 H new ATOM 0 HD1 TYR A 5 8.586 4.665 -0.617 1.00 61.42 H new ATOM 0 HD2 TYR A 5 8.358 3.549 -4.724 1.00 15.22 H new ATOM 0 HE1 TYR A 5 8.364 7.100 -1.273 1.00 73.34 H new ATOM 0 HE2 TYR A 5 8.134 5.988 -5.366 1.00 1.30 H new ATOM 0 HH TYR A 5 8.043 8.021 -4.667 1.00 60.22 H new ATOM 85 N SER A 6 11.458 2.984 -2.670 1.00 64.34 N ATOM 86 CA SER A 6 12.600 3.788 -3.071 1.00 64.23 C ATOM 87 C SER A 6 13.570 3.941 -1.898 1.00 1.32 C ATOM 88 O SER A 6 13.444 4.869 -1.101 1.00 14.44 O ATOM 89 CB SER A 6 12.156 5.162 -3.576 1.00 42.01 C ATOM 90 OG SER A 6 11.329 5.064 -4.732 1.00 51.33 O ATOM 0 H SER A 6 11.140 2.315 -3.371 1.00 64.34 H new ATOM 0 HA SER A 6 13.108 3.277 -3.889 1.00 64.23 H new ATOM 0 HB2 SER A 6 11.614 5.681 -2.785 1.00 42.01 H new ATOM 0 HB3 SER A 6 13.034 5.764 -3.809 1.00 42.01 H new ATOM 0 HG SER A 6 10.391 4.988 -4.458 1.00 51.33 H new ATOM 96 N ALA A 7 14.517 3.017 -1.829 1.00 74.20 N ATOM 97 CA ALA A 7 15.507 3.038 -0.766 1.00 64.43 C ATOM 98 C ALA A 7 16.277 4.359 -0.818 1.00 61.14 C ATOM 99 O ALA A 7 16.668 4.895 0.217 1.00 32.04 O ATOM 100 CB ALA A 7 16.426 1.822 -0.901 1.00 63.20 C ATOM 0 H ALA A 7 14.620 2.249 -2.492 1.00 74.20 H new ATOM 0 HA ALA A 7 15.024 2.976 0.209 1.00 64.43 H new ATOM 0 HB1 ALA A 7 17.169 1.837 -0.104 1.00 63.20 H new ATOM 0 HB2 ALA A 7 15.835 0.909 -0.829 1.00 63.20 H new ATOM 0 HB3 ALA A 7 16.930 1.852 -1.867 1.00 63.20 H new ATOM 106 N ARG A 8 16.472 4.846 -2.035 1.00 71.21 N ATOM 107 CA ARG A 8 17.188 6.094 -2.236 1.00 11.22 C ATOM 108 C ARG A 8 16.412 7.257 -1.614 1.00 51.01 C ATOM 109 O ARG A 8 16.951 8.350 -1.450 1.00 50.41 O ATOM 110 CB ARG A 8 17.403 6.372 -3.725 1.00 4.12 C ATOM 111 CG ARG A 8 18.828 6.009 -4.150 1.00 12.43 C ATOM 112 CD ARG A 8 18.912 4.547 -4.593 1.00 3.33 C ATOM 113 NE ARG A 8 18.706 3.654 -3.431 1.00 71.21 N ATOM 114 CZ ARG A 8 19.149 2.380 -3.368 1.00 14.01 C ATOM 115 NH1 ARG A 8 19.827 1.839 -4.402 1.00 24.55 N ATOM 116 NH2 ARG A 8 18.908 1.672 -2.280 1.00 74.12 N ATOM 0 H ARG A 8 16.146 4.398 -2.892 1.00 71.21 H new ATOM 0 HA ARG A 8 18.160 6.001 -1.751 1.00 11.22 H new ATOM 0 HB2 ARG A 8 16.687 5.798 -4.313 1.00 4.12 H new ATOM 0 HB3 ARG A 8 17.215 7.425 -3.933 1.00 4.12 H new ATOM 0 HG2 ARG A 8 19.145 6.659 -4.966 1.00 12.43 H new ATOM 0 HG3 ARG A 8 19.514 6.181 -3.321 1.00 12.43 H new ATOM 0 HD2 ARG A 8 18.159 4.345 -5.355 1.00 3.33 H new ATOM 0 HD3 ARG A 8 19.884 4.351 -5.045 1.00 3.33 H new ATOM 0 HE ARG A 8 18.198 4.024 -2.628 1.00 71.21 H new ATOM 0 HH11 ARG A 8 20.008 2.393 -5.239 1.00 24.55 H new ATOM 0 HH12 ARG A 8 20.158 0.876 -4.347 1.00 24.55 H new ATOM 0 HH21 ARG A 8 18.394 2.089 -1.504 1.00 74.12 H new ATOM 0 HH22 ARG A 8 19.235 0.708 -2.216 1.00 74.12 H new ATOM 129 N GLY A 9 15.159 6.981 -1.285 1.00 15.42 N ATOM 130 CA GLY A 9 14.303 7.991 -0.685 1.00 0.03 C ATOM 131 C GLY A 9 14.098 7.720 0.807 1.00 22.21 C ATOM 132 O GLY A 9 13.935 8.651 1.594 1.00 31.22 O ATOM 0 H GLY A 9 14.716 6.073 -1.422 1.00 15.42 H new ATOM 0 HA2 GLY A 9 14.747 8.977 -0.822 1.00 0.03 H new ATOM 0 HA3 GLY A 9 13.338 8.003 -1.192 1.00 0.03 H new ATOM 136 N VAL A 10 14.113 6.440 1.151 1.00 45.41 N ATOM 137 CA VAL A 10 13.931 6.035 2.534 1.00 24.13 C ATOM 138 C VAL A 10 15.137 6.491 3.358 1.00 44.01 C ATOM 139 O VAL A 10 14.978 7.105 4.412 1.00 54.24 O ATOM 140 CB VAL A 10 13.692 4.526 2.610 1.00 30.41 C ATOM 141 CG1 VAL A 10 15.011 3.769 2.776 1.00 63.14 C ATOM 142 CG2 VAL A 10 12.717 4.181 3.738 1.00 50.22 C ATOM 0 H VAL A 10 14.248 5.670 0.495 1.00 45.41 H new ATOM 0 HA VAL A 10 13.048 6.513 2.958 1.00 24.13 H new ATOM 0 HB VAL A 10 13.241 4.211 1.669 1.00 30.41 H new ATOM 0 HG11 VAL A 10 14.812 2.699 2.827 1.00 63.14 H new ATOM 0 HG12 VAL A 10 15.660 3.977 1.925 1.00 63.14 H new ATOM 0 HG13 VAL A 10 15.502 4.091 3.694 1.00 63.14 H new ATOM 0 HG21 VAL A 10 12.565 3.102 3.770 1.00 50.22 H new ATOM 0 HG22 VAL A 10 13.128 4.518 4.690 1.00 50.22 H new ATOM 0 HG23 VAL A 10 11.763 4.677 3.559 1.00 50.22 H new ATOM 152 N ARG A 11 16.317 6.173 2.846 1.00 24.12 N ATOM 153 CA ARG A 11 17.550 6.542 3.521 1.00 0.32 C ATOM 154 C ARG A 11 17.717 8.063 3.526 1.00 2.22 C ATOM 155 O ARG A 11 18.136 8.642 4.527 1.00 23.25 O ATOM 156 CB ARG A 11 18.763 5.905 2.840 1.00 10.15 C ATOM 157 CG ARG A 11 18.894 6.385 1.393 1.00 25.45 C ATOM 158 CD ARG A 11 19.651 5.362 0.544 1.00 64.14 C ATOM 159 NE ARG A 11 20.687 4.692 1.361 1.00 4.21 N ATOM 160 CZ ARG A 11 21.929 5.183 1.559 1.00 24.22 C ATOM 161 NH1 ARG A 11 22.301 6.354 0.999 1.00 31.43 N ATOM 162 NH2 ARG A 11 22.775 4.500 2.308 1.00 2.34 N ATOM 0 H ARG A 11 16.445 5.664 1.972 1.00 24.12 H new ATOM 0 HA ARG A 11 17.489 6.176 4.546 1.00 0.32 H new ATOM 0 HB2 ARG A 11 19.668 6.155 3.393 1.00 10.15 H new ATOM 0 HB3 ARG A 11 18.667 4.819 2.860 1.00 10.15 H new ATOM 0 HG2 ARG A 11 17.903 6.552 0.970 1.00 25.45 H new ATOM 0 HG3 ARG A 11 19.417 7.341 1.369 1.00 25.45 H new ATOM 0 HD2 ARG A 11 18.956 4.623 0.146 1.00 64.14 H new ATOM 0 HD3 ARG A 11 20.114 5.857 -0.310 1.00 64.14 H new ATOM 0 HE ARG A 11 20.448 3.804 1.802 1.00 4.21 H new ATOM 0 HH11 ARG A 11 21.642 6.875 0.421 1.00 31.43 H new ATOM 0 HH12 ARG A 11 23.241 6.717 1.154 1.00 31.43 H new ATOM 0 HH21 ARG A 11 22.486 3.616 2.727 1.00 2.34 H new ATOM 0 HH22 ARG A 11 23.717 4.856 2.468 1.00 2.34 H new ATOM 175 N ASN A 12 17.381 8.667 2.396 1.00 11.20 N ATOM 176 CA ASN A 12 17.489 10.110 2.258 1.00 75.34 C ATOM 177 C ASN A 12 16.607 10.786 3.310 1.00 65.21 C ATOM 178 O ASN A 12 16.825 11.947 3.653 1.00 34.25 O ATOM 179 CB ASN A 12 17.013 10.568 0.878 1.00 75.44 C ATOM 180 CG ASN A 12 18.190 10.712 -0.088 1.00 41.44 C ATOM 181 OD1 ASN A 12 18.839 9.576 -0.325 1.00 50.22 O flip ATOM 182 ND2 ASN A 12 18.490 11.785 -0.586 1.00 32.31 N flip ATOM 0 H ASN A 12 17.034 8.184 1.567 1.00 11.20 H new ATOM 0 HA ASN A 12 18.536 10.384 2.388 1.00 75.34 H new ATOM 0 HB2 ASN A 12 16.297 9.849 0.480 1.00 75.44 H new ATOM 0 HB3 ASN A 12 16.492 11.521 0.967 1.00 75.44 H new ATOM 0 HD21 ASN A 12 17.949 12.620 -0.362 1.00 32.31 H new ATOM 0 HD22 ASN A 12 19.281 11.846 -1.227 1.00 32.31 H new ATOM 189 N ASN A 13 15.632 10.030 3.792 1.00 13.54 N ATOM 190 CA ASN A 13 14.717 10.542 4.799 1.00 51.24 C ATOM 191 C ASN A 13 15.272 10.234 6.191 1.00 44.15 C ATOM 192 O ASN A 13 14.837 10.821 7.180 1.00 25.12 O ATOM 193 CB ASN A 13 13.343 9.880 4.681 1.00 55.40 C ATOM 194 CG ASN A 13 12.466 10.614 3.664 1.00 12.22 C ATOM 195 OD1 ASN A 13 13.098 10.940 2.540 1.00 21.25 O flip ATOM 196 ND2 ASN A 13 11.293 10.868 3.885 1.00 32.03 N flip ATOM 0 H ASN A 13 15.455 9.067 3.505 1.00 13.54 H new ATOM 0 HA ASN A 13 14.615 11.616 4.646 1.00 51.24 H new ATOM 0 HB2 ASN A 13 13.462 8.839 4.380 1.00 55.40 H new ATOM 0 HB3 ASN A 13 12.852 9.877 5.654 1.00 55.40 H new ATOM 0 HD21 ASN A 13 10.869 10.589 4.770 1.00 32.03 H new ATOM 0 HD22 ASN A 13 10.737 11.359 3.185 1.00 32.03 H new ATOM 203 N TYR A 14 16.225 9.314 6.222 1.00 2.11 N ATOM 204 CA TYR A 14 16.845 8.921 7.476 1.00 33.13 C ATOM 205 C TYR A 14 17.924 9.922 7.892 1.00 1.33 C ATOM 206 O TYR A 14 18.001 10.310 9.057 1.00 33.32 O ATOM 207 CB TYR A 14 17.499 7.563 7.216 1.00 61.32 C ATOM 208 CG TYR A 14 19.021 7.564 7.377 1.00 55.05 C ATOM 209 CD1 TYR A 14 19.585 7.865 8.599 1.00 21.34 C ATOM 210 CD2 TYR A 14 19.829 7.264 6.298 1.00 13.44 C ATOM 211 CE1 TYR A 14 21.017 7.866 8.751 1.00 61.04 C ATOM 212 CE2 TYR A 14 21.261 7.266 6.450 1.00 73.33 C ATOM 213 CZ TYR A 14 21.784 7.566 7.668 1.00 2.43 C ATOM 214 OH TYR A 14 23.137 7.568 7.811 1.00 33.41 O ATOM 0 H TYR A 14 16.583 8.829 5.399 1.00 2.11 H new ATOM 0 HA TYR A 14 16.104 8.882 8.274 1.00 33.13 H new ATOM 0 HB2 TYR A 14 17.072 6.829 7.899 1.00 61.32 H new ATOM 0 HB3 TYR A 14 17.251 7.239 6.205 1.00 61.32 H new ATOM 0 HD1 TYR A 14 18.952 8.100 9.442 1.00 21.34 H new ATOM 0 HD2 TYR A 14 19.387 7.028 5.341 1.00 13.44 H new ATOM 0 HE1 TYR A 14 21.472 8.099 9.702 1.00 61.04 H new ATOM 0 HE2 TYR A 14 21.905 7.034 5.615 1.00 73.33 H new ATOM 0 HH TYR A 14 23.557 7.335 6.957 1.00 33.41 H new ATOM 224 N LYS A 15 18.731 10.313 6.917 1.00 64.20 N ATOM 225 CA LYS A 15 19.803 11.262 7.167 1.00 20.32 C ATOM 226 C LYS A 15 19.214 12.546 7.754 1.00 4.05 C ATOM 227 O LYS A 15 19.931 13.342 8.358 1.00 5.33 O ATOM 228 CB LYS A 15 20.626 11.487 5.898 1.00 44.15 C ATOM 229 CG LYS A 15 19.719 11.644 4.676 1.00 54.40 C ATOM 230 CD LYS A 15 20.194 12.793 3.784 1.00 14.32 C ATOM 231 CE LYS A 15 19.248 13.992 3.884 1.00 21.03 C ATOM 232 NZ LYS A 15 18.264 13.969 2.779 1.00 13.32 N ATOM 0 H LYS A 15 18.664 9.990 5.952 1.00 64.20 H new ATOM 0 HA LYS A 15 20.500 10.864 7.904 1.00 20.32 H new ATOM 0 HB2 LYS A 15 21.243 12.378 6.014 1.00 44.15 H new ATOM 0 HB3 LYS A 15 21.304 10.647 5.746 1.00 44.15 H new ATOM 0 HG2 LYS A 15 19.709 10.716 4.105 1.00 54.40 H new ATOM 0 HG3 LYS A 15 18.695 11.830 5.000 1.00 54.40 H new ATOM 0 HD2 LYS A 15 21.200 13.094 4.077 1.00 14.32 H new ATOM 0 HD3 LYS A 15 20.251 12.455 2.749 1.00 14.32 H new ATOM 0 HE2 LYS A 15 18.728 13.974 4.842 1.00 21.03 H new ATOM 0 HE3 LYS A 15 19.821 14.919 3.850 1.00 21.03 H new ATOM 0 HZ1 LYS A 15 17.913 14.933 2.606 1.00 13.32 H new ATOM 0 HZ2 LYS A 15 18.719 13.606 1.917 1.00 13.32 H new ATOM 0 HZ3 LYS A 15 17.467 13.352 3.036 1.00 13.32 H new ATOM 245 N SER A 16 17.914 12.708 7.557 1.00 63.42 N ATOM 246 CA SER A 16 17.221 13.882 8.059 1.00 21.43 C ATOM 247 C SER A 16 17.060 13.784 9.578 1.00 74.04 C ATOM 248 O SER A 16 17.404 14.715 10.303 1.00 4.43 O ATOM 249 CB SER A 16 15.855 14.043 7.390 1.00 41.35 C ATOM 250 OG SER A 16 15.881 13.648 6.021 1.00 65.23 O ATOM 0 H SER A 16 17.322 12.045 7.056 1.00 63.42 H new ATOM 0 HA SER A 16 17.819 14.761 7.819 1.00 21.43 H new ATOM 0 HB2 SER A 16 15.117 13.446 7.925 1.00 41.35 H new ATOM 0 HB3 SER A 16 15.537 15.083 7.461 1.00 41.35 H new ATOM 0 HG SER A 16 14.990 13.764 5.630 1.00 65.23 H new ATOM 256 N ALA A 17 16.535 12.648 10.013 1.00 61.10 N ATOM 257 CA ALA A 17 16.324 12.416 11.432 1.00 53.42 C ATOM 258 C ALA A 17 17.676 12.396 12.148 1.00 54.12 C ATOM 259 O ALA A 17 17.733 12.457 13.375 1.00 21.20 O ATOM 260 CB ALA A 17 15.541 11.116 11.626 1.00 24.00 C ATOM 0 H ALA A 17 16.249 11.878 9.408 1.00 61.10 H new ATOM 0 HA ALA A 17 15.732 13.221 11.869 1.00 53.42 H new ATOM 0 HB1 ALA A 17 15.383 10.942 12.690 1.00 24.00 H new ATOM 0 HB2 ALA A 17 14.577 11.194 11.124 1.00 24.00 H new ATOM 0 HB3 ALA A 17 16.105 10.285 11.202 1.00 24.00 H new ATOM 266 N VAL A 18 18.730 12.310 11.350 1.00 3.55 N ATOM 267 CA VAL A 18 20.078 12.281 11.893 1.00 40.43 C ATOM 268 C VAL A 18 20.491 13.698 12.298 1.00 71.13 C ATOM 269 O VAL A 18 21.263 13.878 13.238 1.00 45.34 O ATOM 270 CB VAL A 18 21.035 11.646 10.882 1.00 20.43 C ATOM 271 CG1 VAL A 18 22.471 12.119 11.115 1.00 62.04 C ATOM 272 CG2 VAL A 18 20.946 10.119 10.929 1.00 64.11 C ATOM 0 H VAL A 18 18.678 12.259 10.333 1.00 3.55 H new ATOM 0 HA VAL A 18 20.115 11.663 12.790 1.00 40.43 H new ATOM 0 HB VAL A 18 20.734 11.969 9.886 1.00 20.43 H new ATOM 0 HG11 VAL A 18 23.131 11.653 10.383 1.00 62.04 H new ATOM 0 HG12 VAL A 18 22.519 13.203 11.008 1.00 62.04 H new ATOM 0 HG13 VAL A 18 22.788 11.839 12.120 1.00 62.04 H new ATOM 0 HG21 VAL A 18 21.636 9.692 10.201 1.00 64.11 H new ATOM 0 HG22 VAL A 18 21.210 9.770 11.927 1.00 64.11 H new ATOM 0 HG23 VAL A 18 19.929 9.806 10.692 1.00 64.11 H new ATOM 282 N GLY A 19 19.957 14.667 11.568 1.00 24.32 N ATOM 283 CA GLY A 19 20.261 16.062 11.840 1.00 73.44 C ATOM 284 C GLY A 19 19.960 16.415 13.298 1.00 73.54 C ATOM 285 O GLY A 19 20.842 16.867 14.025 1.00 21.35 O ATOM 0 H GLY A 19 19.316 14.514 10.789 1.00 24.32 H new ATOM 0 HA2 GLY A 19 21.311 16.258 11.624 1.00 73.44 H new ATOM 0 HA3 GLY A 19 19.675 16.701 11.179 1.00 73.44 H new ATOM 289 N PRO A 20 18.677 16.189 13.691 1.00 65.33 N ATOM 290 CA PRO A 20 18.249 16.478 15.049 1.00 61.24 C ATOM 291 C PRO A 20 18.771 15.422 16.025 1.00 60.31 C ATOM 292 O PRO A 20 18.933 15.696 17.213 1.00 30.41 O ATOM 293 CB PRO A 20 16.731 16.525 14.981 1.00 44.54 C ATOM 294 CG PRO A 20 16.349 15.806 13.697 1.00 11.32 C ATOM 295 CD PRO A 20 17.606 15.654 12.856 1.00 54.00 C ATOM 0 HA PRO A 20 18.647 17.421 15.424 1.00 61.24 H new ATOM 0 HB2 PRO A 20 16.286 16.038 15.849 1.00 44.54 H new ATOM 0 HB3 PRO A 20 16.372 17.554 14.974 1.00 44.54 H new ATOM 0 HG2 PRO A 20 15.918 14.830 13.920 1.00 11.32 H new ATOM 0 HG3 PRO A 20 15.592 16.372 13.153 1.00 11.32 H new ATOM 0 HD2 PRO A 20 17.787 14.610 12.600 1.00 54.00 H new ATOM 0 HD3 PRO A 20 17.524 16.203 11.918 1.00 54.00 H new ATOM 303 N ALA A 21 19.020 14.237 15.487 1.00 31.43 N ATOM 304 CA ALA A 21 19.520 13.138 16.296 1.00 4.11 C ATOM 305 C ALA A 21 20.771 13.594 17.051 1.00 55.51 C ATOM 306 O ALA A 21 21.102 13.044 18.100 1.00 64.14 O ATOM 307 CB ALA A 21 19.789 11.926 15.401 1.00 3.45 C ATOM 0 H ALA A 21 18.885 14.014 14.501 1.00 31.43 H new ATOM 0 HA ALA A 21 18.778 12.838 17.037 1.00 4.11 H new ATOM 0 HB1 ALA A 21 20.164 11.102 16.008 1.00 3.45 H new ATOM 0 HB2 ALA A 21 18.864 11.624 14.910 1.00 3.45 H new ATOM 0 HB3 ALA A 21 20.531 12.188 14.647 1.00 3.45 H new ATOM 313 N ASP A 22 21.430 14.596 16.488 1.00 50.21 N ATOM 314 CA ASP A 22 22.636 15.133 17.095 1.00 63.14 C ATOM 315 C ASP A 22 22.264 15.905 18.362 1.00 4.11 C ATOM 316 O ASP A 22 23.018 15.910 19.334 1.00 22.31 O ATOM 317 CB ASP A 22 23.348 16.098 16.145 1.00 40.13 C ATOM 318 CG ASP A 22 24.876 16.015 16.164 1.00 53.34 C ATOM 319 OD1 ASP A 22 25.484 15.265 15.386 1.00 42.53 O ATOM 320 OD2 ASP A 22 25.452 16.772 17.035 1.00 50.44 O ATOM 0 H ASP A 22 21.152 15.050 15.618 1.00 50.21 H new ATOM 0 HA ASP A 22 23.298 14.298 17.324 1.00 63.14 H new ATOM 0 HB2 ASP A 22 23.001 15.906 15.130 1.00 40.13 H new ATOM 0 HB3 ASP A 22 23.051 17.116 16.396 1.00 40.13 H new ATOM 326 N TRP A 23 21.102 16.539 18.311 1.00 44.55 N ATOM 327 CA TRP A 23 20.621 17.313 19.442 1.00 4.34 C ATOM 328 C TRP A 23 20.194 16.334 20.537 1.00 34.12 C ATOM 329 O TRP A 23 20.612 16.461 21.687 1.00 51.01 O ATOM 330 CB TRP A 23 19.500 18.264 19.019 1.00 10.25 C ATOM 331 CG TRP A 23 18.102 17.645 19.083 1.00 2.44 C ATOM 332 CD1 TRP A 23 17.266 17.390 18.068 1.00 31.30 C ATOM 333 CD2 TRP A 23 17.407 17.212 20.272 1.00 63.23 C ATOM 334 NE1 TRP A 23 16.088 16.826 18.513 1.00 34.50 N ATOM 335 CE2 TRP A 23 16.176 16.714 19.896 1.00 65.23 C ATOM 336 CE3 TRP A 23 17.806 17.239 21.620 1.00 52.42 C ATOM 337 CZ2 TRP A 23 15.244 16.206 20.808 1.00 53.20 C ATOM 338 CZ3 TRP A 23 16.862 16.729 22.519 1.00 22.41 C ATOM 339 CH2 TRP A 23 15.619 16.224 22.157 1.00 71.24 C ATOM 0 H TRP A 23 20.479 16.532 17.503 1.00 44.55 H new ATOM 0 HA TRP A 23 21.411 17.953 19.836 1.00 4.34 H new ATOM 0 HB2 TRP A 23 19.525 19.146 19.659 1.00 10.25 H new ATOM 0 HB3 TRP A 23 19.690 18.603 18.001 1.00 10.25 H new ATOM 0 HD1 TRP A 23 17.486 17.599 17.032 1.00 31.30 H new ATOM 0 HE1 TRP A 23 15.298 16.543 17.934 1.00 34.50 H new ATOM 0 HE3 TRP A 23 18.765 17.623 21.937 1.00 52.42 H new ATOM 0 HZ2 TRP A 23 14.287 15.821 20.489 1.00 53.20 H new ATOM 0 HZ3 TRP A 23 17.118 16.728 23.568 1.00 22.41 H new ATOM 0 HH2 TRP A 23 14.945 15.847 22.912 1.00 71.24 H new ATOM 350 N VAL A 24 19.365 15.379 20.141 1.00 24.53 N ATOM 351 CA VAL A 24 18.876 14.378 21.075 1.00 64.14 C ATOM 352 C VAL A 24 20.066 13.663 21.718 1.00 32.43 C ATOM 353 O VAL A 24 20.147 13.563 22.942 1.00 41.43 O ATOM 354 CB VAL A 24 17.918 13.421 20.362 1.00 41.52 C ATOM 355 CG1 VAL A 24 18.541 12.032 20.212 1.00 51.11 C ATOM 356 CG2 VAL A 24 16.576 13.345 21.092 1.00 12.01 C ATOM 0 H VAL A 24 19.020 15.277 19.187 1.00 24.53 H new ATOM 0 HA VAL A 24 18.307 14.849 21.877 1.00 64.14 H new ATOM 0 HB VAL A 24 17.734 13.814 19.362 1.00 41.52 H new ATOM 0 HG11 VAL A 24 17.839 11.372 19.702 1.00 51.11 H new ATOM 0 HG12 VAL A 24 19.459 12.106 19.629 1.00 51.11 H new ATOM 0 HG13 VAL A 24 18.769 11.627 21.198 1.00 51.11 H new ATOM 0 HG21 VAL A 24 15.913 12.658 20.565 1.00 12.01 H new ATOM 0 HG22 VAL A 24 16.735 12.987 22.109 1.00 12.01 H new ATOM 0 HG23 VAL A 24 16.122 14.335 21.123 1.00 12.01 H new ATOM 366 N ILE A 25 20.959 13.183 20.866 1.00 60.35 N ATOM 367 CA ILE A 25 22.140 12.480 21.336 1.00 64.52 C ATOM 368 C ILE A 25 23.023 13.447 22.128 1.00 72.34 C ATOM 369 O ILE A 25 23.687 13.047 23.083 1.00 75.21 O ATOM 370 CB ILE A 25 22.862 11.804 20.168 1.00 3.11 C ATOM 371 CG1 ILE A 25 23.451 10.457 20.593 1.00 43.32 C ATOM 372 CG2 ILE A 25 23.923 12.730 19.570 1.00 52.45 C ATOM 373 CD1 ILE A 25 22.478 9.315 20.294 1.00 23.25 C ATOM 0 H ILE A 25 20.888 13.267 19.852 1.00 60.35 H new ATOM 0 HA ILE A 25 21.859 11.675 22.015 1.00 64.52 H new ATOM 0 HB ILE A 25 22.131 11.603 19.385 1.00 3.11 H new ATOM 0 HG12 ILE A 25 24.391 10.285 20.069 1.00 43.32 H new ATOM 0 HG13 ILE A 25 23.679 10.476 21.659 1.00 43.32 H new ATOM 0 HG21 ILE A 25 24.421 12.226 18.742 1.00 52.45 H new ATOM 0 HG22 ILE A 25 23.448 13.641 19.207 1.00 52.45 H new ATOM 0 HG23 ILE A 25 24.657 12.984 20.335 1.00 52.45 H new ATOM 0 HD11 ILE A 25 22.921 8.369 20.605 1.00 23.25 H new ATOM 0 HD12 ILE A 25 21.548 9.477 20.839 1.00 23.25 H new ATOM 0 HD13 ILE A 25 22.271 9.284 19.224 1.00 23.25 H new ATOM 385 N SER A 26 23.002 14.701 21.701 1.00 34.11 N ATOM 386 CA SER A 26 23.791 15.728 22.358 1.00 5.33 C ATOM 387 C SER A 26 23.247 15.987 23.765 1.00 41.44 C ATOM 388 O SER A 26 24.013 16.231 24.696 1.00 41.24 O ATOM 389 CB SER A 26 23.797 17.024 21.544 1.00 30.33 C ATOM 390 OG SER A 26 24.205 18.143 22.326 1.00 43.44 O ATOM 0 H SER A 26 22.451 15.029 20.908 1.00 34.11 H new ATOM 0 HA SER A 26 24.819 15.373 22.433 1.00 5.33 H new ATOM 0 HB2 SER A 26 24.467 16.914 20.691 1.00 30.33 H new ATOM 0 HB3 SER A 26 22.799 17.206 21.144 1.00 30.33 H new ATOM 0 HG SER A 26 24.197 18.950 21.771 1.00 43.44 H new ATOM 396 N ALA A 27 21.928 15.926 23.874 1.00 22.35 N ATOM 397 CA ALA A 27 21.272 16.151 25.151 1.00 23.54 C ATOM 398 C ALA A 27 21.557 14.969 26.081 1.00 1.31 C ATOM 399 O ALA A 27 21.646 15.138 27.296 1.00 1.52 O ATOM 400 CB ALA A 27 19.775 16.367 24.925 1.00 34.51 C ATOM 0 H ALA A 27 21.296 15.724 23.099 1.00 22.35 H new ATOM 0 HA ALA A 27 21.662 17.049 25.630 1.00 23.54 H new ATOM 0 HB1 ALA A 27 19.283 16.536 25.883 1.00 34.51 H new ATOM 0 HB2 ALA A 27 19.626 17.235 24.282 1.00 34.51 H new ATOM 0 HB3 ALA A 27 19.348 15.485 24.448 1.00 34.51 H new ATOM 406 N VAL A 28 21.692 13.799 25.475 1.00 42.25 N ATOM 407 CA VAL A 28 21.965 12.590 26.233 1.00 41.11 C ATOM 408 C VAL A 28 23.382 12.662 26.807 1.00 54.12 C ATOM 409 O VAL A 28 23.578 12.484 28.008 1.00 64.32 O ATOM 410 CB VAL A 28 21.738 11.359 25.354 1.00 61.42 C ATOM 411 CG1 VAL A 28 22.105 10.076 26.102 1.00 24.31 C ATOM 412 CG2 VAL A 28 20.295 11.305 24.848 1.00 62.41 C ATOM 0 H VAL A 28 21.617 13.662 24.467 1.00 42.25 H new ATOM 0 HA VAL A 28 21.277 12.503 27.074 1.00 41.11 H new ATOM 0 HB VAL A 28 22.394 11.441 24.487 1.00 61.42 H new ATOM 0 HG11 VAL A 28 21.934 9.216 25.455 1.00 24.31 H new ATOM 0 HG12 VAL A 28 23.156 10.111 26.390 1.00 24.31 H new ATOM 0 HG13 VAL A 28 21.487 9.986 26.995 1.00 24.31 H new ATOM 0 HG21 VAL A 28 20.161 10.420 24.226 1.00 62.41 H new ATOM 0 HG22 VAL A 28 19.613 11.258 25.697 1.00 62.41 H new ATOM 0 HG23 VAL A 28 20.082 12.198 24.260 1.00 62.41 H new ATOM 422 N ARG A 29 24.332 12.924 25.921 1.00 32.14 N ATOM 423 CA ARG A 29 25.724 13.022 26.325 1.00 63.32 C ATOM 424 C ARG A 29 25.953 14.297 27.139 1.00 33.31 C ATOM 425 O ARG A 29 26.865 14.357 27.962 1.00 34.44 O ATOM 426 CB ARG A 29 26.651 13.029 25.108 1.00 41.24 C ATOM 427 CG ARG A 29 26.337 14.210 24.187 1.00 70.04 C ATOM 428 CD ARG A 29 26.617 13.855 22.725 1.00 75.32 C ATOM 429 NE ARG A 29 27.609 12.759 22.651 1.00 11.22 N ATOM 430 CZ ARG A 29 28.945 12.950 22.609 1.00 33.41 C ATOM 431 NH1 ARG A 29 29.460 14.197 22.633 1.00 1.21 N ATOM 432 NH2 ARG A 29 29.739 11.898 22.544 1.00 64.30 N ATOM 0 H ARG A 29 24.165 13.071 24.926 1.00 32.14 H new ATOM 0 HA ARG A 29 25.953 12.150 26.938 1.00 63.32 H new ATOM 0 HB2 ARG A 29 27.689 13.085 25.437 1.00 41.24 H new ATOM 0 HB3 ARG A 29 26.542 12.095 24.557 1.00 41.24 H new ATOM 0 HG2 ARG A 29 25.292 14.497 24.301 1.00 70.04 H new ATOM 0 HG3 ARG A 29 26.938 15.072 24.477 1.00 70.04 H new ATOM 0 HD2 ARG A 29 25.693 13.554 22.232 1.00 75.32 H new ATOM 0 HD3 ARG A 29 26.990 14.731 22.195 1.00 75.32 H new ATOM 0 HE ARG A 29 27.262 11.800 22.630 1.00 11.22 H new ATOM 0 HH11 ARG A 29 28.839 15.004 22.683 1.00 1.21 H new ATOM 0 HH12 ARG A 29 30.470 14.332 22.601 1.00 1.21 H new ATOM 0 HH21 ARG A 29 29.341 10.959 22.526 1.00 64.30 H new ATOM 0 HH22 ARG A 29 30.751 12.024 22.512 1.00 64.30 H new ATOM 445 N GLY A 30 25.109 15.285 26.881 1.00 72.22 N ATOM 446 CA GLY A 30 25.207 16.555 27.580 1.00 43.05 C ATOM 447 C GLY A 30 24.733 16.422 29.028 1.00 4.12 C ATOM 448 O GLY A 30 25.286 17.055 29.926 1.00 1.14 O ATOM 0 H GLY A 30 24.354 15.232 26.197 1.00 72.22 H new ATOM 0 HA2 GLY A 30 26.239 16.905 27.562 1.00 43.05 H new ATOM 0 HA3 GLY A 30 24.607 17.305 27.065 1.00 43.05 H new ATOM 452 N PHE A 31 23.715 15.595 29.210 1.00 33.25 N ATOM 453 CA PHE A 31 23.160 15.371 30.535 1.00 62.33 C ATOM 454 C PHE A 31 24.027 14.396 31.334 1.00 20.14 C ATOM 455 O PHE A 31 24.063 14.455 32.562 1.00 12.35 O ATOM 456 CB PHE A 31 21.772 14.758 30.340 1.00 13.54 C ATOM 457 CG PHE A 31 21.433 13.653 31.343 1.00 62.04 C ATOM 458 CD1 PHE A 31 20.896 13.972 32.551 1.00 60.42 C ATOM 459 CD2 PHE A 31 21.670 12.352 31.025 1.00 33.24 C ATOM 460 CE1 PHE A 31 20.582 12.946 33.481 1.00 60.31 C ATOM 461 CE2 PHE A 31 21.356 11.326 31.956 1.00 73.14 C ATOM 462 CZ PHE A 31 20.818 11.644 33.164 1.00 45.53 C ATOM 0 H PHE A 31 23.259 15.071 28.463 1.00 33.25 H new ATOM 0 HA PHE A 31 23.116 16.311 31.085 1.00 62.33 H new ATOM 0 HB2 PHE A 31 21.024 15.547 30.417 1.00 13.54 H new ATOM 0 HB3 PHE A 31 21.704 14.352 29.331 1.00 13.54 H new ATOM 0 HD1 PHE A 31 20.708 15.005 32.803 1.00 60.42 H new ATOM 0 HD2 PHE A 31 22.097 12.099 30.066 1.00 33.24 H new ATOM 0 HE1 PHE A 31 20.156 13.199 34.440 1.00 60.31 H new ATOM 0 HE2 PHE A 31 21.545 10.293 31.704 1.00 73.14 H new ATOM 0 HZ PHE A 31 20.578 10.864 33.871 1.00 45.53 H new ATOM 472 N ILE A 32 24.704 13.521 30.605 1.00 5.43 N ATOM 473 CA ILE A 32 25.569 12.535 31.231 1.00 13.23 C ATOM 474 C ILE A 32 26.608 13.250 32.097 1.00 12.42 C ATOM 475 O ILE A 32 26.905 12.811 33.207 1.00 33.10 O ATOM 476 CB ILE A 32 26.179 11.611 30.176 1.00 70.40 C ATOM 477 CG1 ILE A 32 26.194 10.160 30.661 1.00 23.41 C ATOM 478 CG2 ILE A 32 27.572 12.092 29.765 1.00 52.24 C ATOM 479 CD1 ILE A 32 25.863 9.196 29.519 1.00 1.35 C ATOM 0 H ILE A 32 24.671 13.474 29.587 1.00 5.43 H new ATOM 0 HA ILE A 32 24.993 11.889 31.893 1.00 13.23 H new ATOM 0 HB ILE A 32 25.550 11.647 29.286 1.00 70.40 H new ATOM 0 HG12 ILE A 32 27.175 9.920 31.071 1.00 23.41 H new ATOM 0 HG13 ILE A 32 25.472 10.035 31.468 1.00 23.41 H new ATOM 0 HG21 ILE A 32 27.983 11.417 29.014 1.00 52.24 H new ATOM 0 HG22 ILE A 32 27.502 13.097 29.350 1.00 52.24 H new ATOM 0 HG23 ILE A 32 28.225 12.104 30.638 1.00 52.24 H new ATOM 0 HD11 ILE A 32 25.881 8.172 29.891 1.00 1.35 H new ATOM 0 HD12 ILE A 32 24.871 9.423 29.127 1.00 1.35 H new ATOM 0 HD13 ILE A 32 26.601 9.306 28.724 1.00 1.35 H new ATOM 491 N HIS A 33 27.132 14.341 31.557 1.00 60.40 N ATOM 492 CA HIS A 33 28.132 15.121 32.266 1.00 33.14 C ATOM 493 C HIS A 33 27.442 16.055 33.263 1.00 74.41 C ATOM 494 O HIS A 33 28.090 16.614 34.146 1.00 35.02 O ATOM 495 CB HIS A 33 29.036 15.867 31.284 1.00 64.14 C ATOM 496 CG HIS A 33 28.346 16.985 30.540 1.00 15.34 C ATOM 497 ND1 HIS A 33 28.133 18.235 31.096 1.00 52.05 N ATOM 498 CD2 HIS A 33 27.823 17.029 29.281 1.00 0.22 C ATOM 499 CE1 HIS A 33 27.509 18.989 30.202 1.00 32.33 C ATOM 500 NE2 HIS A 33 27.317 18.239 29.079 1.00 42.42 N ATOM 0 H HIS A 33 26.883 14.703 30.637 1.00 60.40 H new ATOM 0 HA HIS A 33 28.782 14.455 32.834 1.00 33.14 H new ATOM 0 HB2 HIS A 33 29.886 16.278 31.829 1.00 64.14 H new ATOM 0 HB3 HIS A 33 29.435 15.155 30.561 1.00 64.14 H new ATOM 0 HD1 HIS A 33 28.409 18.526 32.034 1.00 52.05 H new ATOM 0 HD2 HIS A 33 27.821 16.217 28.569 1.00 0.22 H new ATOM 0 HE1 HIS A 33 27.206 20.017 30.339 1.00 32.33 H new ATOM 508 N GLY A 34 26.136 16.194 33.087 1.00 12.13 N ATOM 509 CA GLY A 34 25.351 17.050 33.960 1.00 14.31 C ATOM 510 C GLY A 34 23.933 17.236 33.416 1.00 72.53 C ATOM 511 O GLY A 34 23.556 18.336 33.017 1.00 42.34 O ATOM 0 H GLY A 34 25.602 15.728 32.353 1.00 12.13 H new ATOM 0 HA2 GLY A 34 25.307 16.615 34.958 1.00 14.31 H new ATOM 0 HA3 GLY A 34 25.837 18.021 34.057 1.00 14.31 H new TER 515 GLY A 34