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+ -159:sc= -0.311 (180deg=-1.34!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.836 F(o=-2.2!,f=-0.84) 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= -0.945 F(o=-2.1!,f=-0.95) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.141 F(o=-2.4!,f=-0.14) 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= -7.38! C(o=-7.4!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.330 1.262 1.542 1.00 52.54 N ATOM 2 CA VAL A 1 3.353 0.491 0.856 1.00 53.43 C ATOM 3 C VAL A 1 4.702 0.718 1.541 1.00 35.14 C ATOM 4 O VAL A 1 4.829 1.595 2.395 1.00 74.43 O ATOM 5 CB VAL A 1 3.370 0.851 -0.631 1.00 41.04 C ATOM 6 CG1 VAL A 1 4.001 -0.270 -1.459 1.00 61.22 C ATOM 7 CG2 VAL A 1 1.962 1.177 -1.133 1.00 10.40 C ATOM 0 H1 VAL A 1 1.394 0.860 1.333 1.00 52.54 H new ATOM 0 H2 VAL A 1 2.500 1.230 2.567 1.00 52.54 H new ATOM 0 H3 VAL A 1 2.363 2.249 1.217 1.00 52.54 H new ATOM 0 HA VAL A 1 3.133 -0.575 0.917 1.00 53.43 H new ATOM 0 HB VAL A 1 3.984 1.744 -0.752 1.00 41.04 H new ATOM 0 HG11 VAL A 1 4.001 0.011 -2.512 1.00 61.22 H new ATOM 0 HG12 VAL A 1 5.026 -0.434 -1.128 1.00 61.22 H new ATOM 0 HG13 VAL A 1 3.426 -1.187 -1.328 1.00 61.22 H new ATOM 0 HG21 VAL A 1 2.003 1.429 -2.193 1.00 10.40 H new ATOM 0 HG22 VAL A 1 1.315 0.311 -0.991 1.00 10.40 H new ATOM 0 HG23 VAL A 1 1.563 2.023 -0.574 1.00 10.40 H new ATOM 17 N PHE A 2 5.675 -0.088 1.142 1.00 13.24 N ATOM 18 CA PHE A 2 7.009 0.014 1.708 1.00 64.22 C ATOM 19 C PHE A 2 8.064 -0.484 0.717 1.00 31.23 C ATOM 20 O PHE A 2 8.889 -1.331 1.057 1.00 50.10 O ATOM 21 CB PHE A 2 7.036 -0.875 2.953 1.00 45.11 C ATOM 22 CG PHE A 2 5.873 -0.632 3.916 1.00 12.12 C ATOM 23 CD1 PHE A 2 5.926 0.401 4.800 1.00 30.50 C ATOM 24 CD2 PHE A 2 4.785 -1.448 3.889 1.00 65.22 C ATOM 25 CE1 PHE A 2 4.846 0.626 5.694 1.00 21.00 C ATOM 26 CE2 PHE A 2 3.706 -1.223 4.783 1.00 54.21 C ATOM 27 CZ PHE A 2 3.759 -0.190 5.667 1.00 73.43 C ATOM 0 H PHE A 2 5.566 -0.814 0.434 1.00 13.24 H new ATOM 0 HA PHE A 2 7.234 1.054 1.946 1.00 64.22 H new ATOM 0 HB2 PHE A 2 7.024 -1.919 2.641 1.00 45.11 H new ATOM 0 HB3 PHE A 2 7.974 -0.711 3.484 1.00 45.11 H new ATOM 0 HD1 PHE A 2 6.789 1.050 4.822 1.00 30.50 H new ATOM 0 HD2 PHE A 2 4.742 -2.268 3.187 1.00 65.22 H new ATOM 0 HE1 PHE A 2 4.888 1.446 6.396 1.00 21.00 H new ATOM 0 HE2 PHE A 2 2.843 -1.872 4.762 1.00 54.21 H new ATOM 0 HZ PHE A 2 2.938 -0.018 6.347 1.00 73.43 H new ATOM 37 N HIS A 3 8.002 0.063 -0.488 1.00 24.50 N ATOM 38 CA HIS A 3 8.942 -0.316 -1.530 1.00 53.41 C ATOM 39 C HIS A 3 8.685 0.525 -2.782 1.00 54.04 C ATOM 40 O HIS A 3 9.624 0.936 -3.462 1.00 74.24 O ATOM 41 CB HIS A 3 8.875 -1.820 -1.802 1.00 1.23 C ATOM 42 CG HIS A 3 9.552 -2.243 -3.084 1.00 2.14 C ATOM 43 ND1 HIS A 3 9.347 -1.847 -4.373 1.00 1.11 N flip ATOM 44 CD2 HIS A 3 10.569 -3.181 -3.120 1.00 32.34 C flip ATOM 45 CE1 HIS A 3 10.193 -2.507 -5.154 1.00 73.31 C flip ATOM 46 NE2 HIS A 3 10.952 -3.334 -4.379 1.00 3.42 N flip ATOM 0 H HIS A 3 7.316 0.765 -0.766 1.00 24.50 H new ATOM 0 HA HIS A 3 9.960 -0.111 -1.199 1.00 53.41 H new ATOM 0 HB2 HIS A 3 9.335 -2.350 -0.968 1.00 1.23 H new ATOM 0 HB3 HIS A 3 7.830 -2.126 -1.837 1.00 1.23 H new ATOM 0 HD2 HIS A 3 10.980 -3.700 -2.267 1.00 32.34 H new ATOM 0 HE1 HIS A 3 10.268 -2.406 -6.227 1.00 73.31 H new ATOM 0 HE2 HIS A 3 11.686 -3.960 -4.711 1.00 3.42 H new ATOM 54 N ALA A 4 7.407 0.756 -3.049 1.00 65.21 N ATOM 55 CA ALA A 4 7.015 1.540 -4.208 1.00 13.04 C ATOM 56 C ALA A 4 7.456 2.992 -4.009 1.00 35.43 C ATOM 57 O ALA A 4 7.628 3.730 -4.977 1.00 62.12 O ATOM 58 CB ALA A 4 5.505 1.413 -4.422 1.00 42.32 C ATOM 0 H ALA A 4 6.631 0.414 -2.483 1.00 65.21 H new ATOM 0 HA ALA A 4 7.505 1.167 -5.108 1.00 13.04 H new ATOM 0 HB1 ALA A 4 5.210 2.001 -5.291 1.00 42.32 H new ATOM 0 HB2 ALA A 4 5.248 0.367 -4.587 1.00 42.32 H new ATOM 0 HB3 ALA A 4 4.980 1.781 -3.540 1.00 42.32 H new ATOM 64 N TYR A 5 7.625 3.357 -2.747 1.00 10.34 N ATOM 65 CA TYR A 5 8.042 4.707 -2.408 1.00 43.42 C ATOM 66 C TYR A 5 9.478 4.969 -2.869 1.00 54.41 C ATOM 67 O TYR A 5 10.175 4.049 -3.293 1.00 51.12 O ATOM 68 CB TYR A 5 7.985 4.796 -0.882 1.00 3.31 C ATOM 69 CG TYR A 5 6.587 5.072 -0.326 1.00 74.25 C ATOM 70 CD1 TYR A 5 6.158 6.372 -0.151 1.00 32.35 C ATOM 71 CD2 TYR A 5 5.754 4.020 -0.001 1.00 53.44 C ATOM 72 CE1 TYR A 5 4.841 6.631 0.372 1.00 3.12 C ATOM 73 CE2 TYR A 5 4.437 4.280 0.521 1.00 22.23 C ATOM 74 CZ TYR A 5 4.046 5.572 0.682 1.00 0.34 C ATOM 75 OH TYR A 5 2.803 5.817 1.176 1.00 13.21 O ATOM 0 H TYR A 5 7.481 2.741 -1.947 1.00 10.34 H new ATOM 0 HA TYR A 5 7.398 5.441 -2.894 1.00 43.42 H new ATOM 0 HB2 TYR A 5 8.355 3.861 -0.460 1.00 3.31 H new ATOM 0 HB3 TYR A 5 8.659 5.585 -0.549 1.00 3.31 H new ATOM 0 HD1 TYR A 5 6.809 7.195 -0.406 1.00 32.35 H new ATOM 0 HD2 TYR A 5 6.090 3.003 -0.138 1.00 53.44 H new ATOM 0 HE1 TYR A 5 4.493 7.643 0.515 1.00 3.12 H new ATOM 0 HE2 TYR A 5 3.775 3.467 0.779 1.00 22.23 H new ATOM 0 HH TYR A 5 2.347 4.967 1.351 1.00 13.21 H new ATOM 85 N SER A 6 9.876 6.229 -2.770 1.00 42.04 N ATOM 86 CA SER A 6 11.216 6.624 -3.172 1.00 32.30 C ATOM 87 C SER A 6 12.173 6.510 -1.984 1.00 10.43 C ATOM 88 O SER A 6 12.286 7.437 -1.183 1.00 4.02 O ATOM 89 CB SER A 6 11.227 8.049 -3.728 1.00 75.11 C ATOM 90 OG SER A 6 10.503 8.150 -4.952 1.00 13.05 O ATOM 0 H SER A 6 9.295 6.989 -2.418 1.00 42.04 H new ATOM 0 HA SER A 6 11.548 5.952 -3.964 1.00 32.30 H new ATOM 0 HB2 SER A 6 10.794 8.728 -2.994 1.00 75.11 H new ATOM 0 HB3 SER A 6 12.257 8.368 -3.889 1.00 75.11 H new ATOM 0 HG SER A 6 10.532 9.075 -5.274 1.00 13.05 H new ATOM 96 N ALA A 7 12.837 5.367 -1.907 1.00 63.40 N ATOM 97 CA ALA A 7 13.781 5.120 -0.830 1.00 41.11 C ATOM 98 C ALA A 7 14.878 6.186 -0.865 1.00 50.11 C ATOM 99 O ALA A 7 15.382 6.598 0.179 1.00 71.13 O ATOM 100 CB ALA A 7 14.342 3.702 -0.957 1.00 53.20 C ATOM 0 H ALA A 7 12.740 4.601 -2.573 1.00 63.40 H new ATOM 0 HA ALA A 7 13.285 5.189 0.138 1.00 41.11 H new ATOM 0 HB1 ALA A 7 15.050 3.517 -0.149 1.00 53.20 H new ATOM 0 HB2 ALA A 7 13.526 2.981 -0.897 1.00 53.20 H new ATOM 0 HB3 ALA A 7 14.850 3.596 -1.916 1.00 53.20 H new ATOM 106 N ARG A 8 15.216 6.602 -2.077 1.00 13.53 N ATOM 107 CA ARG A 8 16.244 7.613 -2.261 1.00 73.44 C ATOM 108 C ARG A 8 15.792 8.946 -1.662 1.00 32.34 C ATOM 109 O ARG A 8 16.600 9.856 -1.483 1.00 72.22 O ATOM 110 CB ARG A 8 16.561 7.810 -3.745 1.00 3.31 C ATOM 111 CG ARG A 8 17.848 7.078 -4.133 1.00 14.14 C ATOM 112 CD ARG A 8 17.551 5.640 -4.563 1.00 25.13 C ATOM 113 NE ARG A 8 17.101 4.846 -3.398 1.00 23.22 N ATOM 114 CZ ARG A 8 17.143 3.498 -3.339 1.00 71.32 C ATOM 115 NH1 ARG A 8 17.616 2.781 -4.381 1.00 34.10 N ATOM 116 NH2 ARG A 8 16.714 2.891 -2.248 1.00 64.00 N ATOM 0 H ARG A 8 14.797 6.258 -2.941 1.00 13.53 H new ATOM 0 HA ARG A 8 17.143 7.269 -1.750 1.00 73.44 H new ATOM 0 HB2 ARG A 8 15.732 7.441 -4.350 1.00 3.31 H new ATOM 0 HB3 ARG A 8 16.664 8.874 -3.960 1.00 3.31 H new ATOM 0 HG2 ARG A 8 18.342 7.610 -4.946 1.00 14.14 H new ATOM 0 HG3 ARG A 8 18.537 7.074 -3.289 1.00 14.14 H new ATOM 0 HD2 ARG A 8 16.783 5.634 -5.336 1.00 25.13 H new ATOM 0 HD3 ARG A 8 18.444 5.190 -4.997 1.00 25.13 H new ATOM 0 HE ARG A 8 16.736 5.349 -2.589 1.00 23.22 H new ATOM 0 HH11 ARG A 8 17.945 3.258 -5.221 1.00 34.10 H new ATOM 0 HH12 ARG A 8 17.644 1.763 -4.328 1.00 34.10 H new ATOM 0 HH21 ARG A 8 16.358 3.440 -1.466 1.00 64.00 H new ATOM 0 HH22 ARG A 8 16.739 1.873 -2.187 1.00 64.00 H new ATOM 129 N GLY A 9 14.502 9.019 -1.367 1.00 22.31 N ATOM 130 CA GLY A 9 13.933 10.225 -0.791 1.00 2.21 C ATOM 131 C GLY A 9 13.658 10.043 0.703 1.00 22.31 C ATOM 132 O GLY A 9 13.770 10.991 1.479 1.00 64.50 O ATOM 0 H GLY A 9 13.835 8.262 -1.516 1.00 22.31 H new ATOM 0 HA2 GLY A 9 14.617 11.061 -0.939 1.00 2.21 H new ATOM 0 HA3 GLY A 9 13.006 10.476 -1.307 1.00 2.21 H new ATOM 136 N VAL A 10 13.303 8.818 1.062 1.00 63.55 N ATOM 137 CA VAL A 10 13.011 8.499 2.449 1.00 64.53 C ATOM 138 C VAL A 10 14.292 8.622 3.276 1.00 3.14 C ATOM 139 O VAL A 10 14.301 9.273 4.320 1.00 32.22 O ATOM 140 CB VAL A 10 12.370 7.113 2.543 1.00 20.42 C ATOM 141 CG1 VAL A 10 13.433 6.028 2.732 1.00 51.42 C ATOM 142 CG2 VAL A 10 11.332 7.064 3.666 1.00 0.32 C ATOM 0 H VAL A 10 13.211 8.034 0.416 1.00 63.55 H new ATOM 0 HA VAL A 10 12.289 9.205 2.860 1.00 64.53 H new ATOM 0 HB VAL A 10 11.856 6.918 1.602 1.00 20.42 H new ATOM 0 HG11 VAL A 10 12.950 5.053 2.796 1.00 51.42 H new ATOM 0 HG12 VAL A 10 14.119 6.039 1.885 1.00 51.42 H new ATOM 0 HG13 VAL A 10 13.988 6.219 3.650 1.00 51.42 H new ATOM 0 HG21 VAL A 10 10.892 6.068 3.711 1.00 0.32 H new ATOM 0 HG22 VAL A 10 11.814 7.291 4.617 1.00 0.32 H new ATOM 0 HG23 VAL A 10 10.550 7.798 3.471 1.00 0.32 H new ATOM 152 N ARG A 11 15.344 7.987 2.779 1.00 14.32 N ATOM 153 CA ARG A 11 16.627 8.018 3.460 1.00 41.13 C ATOM 154 C ARG A 11 17.187 9.442 3.473 1.00 62.25 C ATOM 155 O ARG A 11 17.740 9.886 4.478 1.00 53.24 O ATOM 156 CB ARG A 11 17.633 7.088 2.780 1.00 64.34 C ATOM 157 CG ARG A 11 17.892 7.521 1.335 1.00 13.32 C ATOM 158 CD ARG A 11 18.357 6.339 0.483 1.00 71.04 C ATOM 159 NE ARG A 11 19.414 5.587 1.194 1.00 23.14 N ATOM 160 CZ ARG A 11 19.882 4.383 0.801 1.00 31.04 C ATOM 161 NH1 ARG A 11 19.388 3.783 -0.303 1.00 3.50 N ATOM 162 NH2 ARG A 11 20.829 3.801 1.513 1.00 31.32 N ATOM 0 H ARG A 11 15.334 7.448 1.913 1.00 14.32 H new ATOM 0 HA ARG A 11 16.468 7.677 4.483 1.00 41.13 H new ATOM 0 HB2 ARG A 11 18.570 7.090 3.337 1.00 64.34 H new ATOM 0 HB3 ARG A 11 17.256 6.065 2.795 1.00 64.34 H new ATOM 0 HG2 ARG A 11 16.982 7.944 0.910 1.00 13.32 H new ATOM 0 HG3 ARG A 11 18.648 8.306 1.317 1.00 13.32 H new ATOM 0 HD2 ARG A 11 17.514 5.682 0.267 1.00 71.04 H new ATOM 0 HD3 ARG A 11 18.735 6.697 -0.474 1.00 71.04 H new ATOM 0 HE ARG A 11 19.815 6.004 2.034 1.00 23.14 H new ATOM 0 HH11 ARG A 11 18.656 4.239 -0.847 1.00 3.50 H new ATOM 0 HH12 ARG A 11 19.747 2.873 -0.593 1.00 3.50 H new ATOM 0 HH21 ARG A 11 21.196 4.261 2.346 1.00 31.32 H new ATOM 0 HH22 ARG A 11 21.194 2.891 1.230 1.00 31.32 H new ATOM 175 N ASN A 12 17.025 10.118 2.344 1.00 30.45 N ATOM 176 CA ASN A 12 17.508 11.482 2.213 1.00 35.14 C ATOM 177 C ASN A 12 16.831 12.361 3.267 1.00 53.12 C ATOM 178 O ASN A 12 17.343 13.423 3.616 1.00 2.23 O ATOM 179 CB ASN A 12 17.173 12.054 0.834 1.00 3.14 C ATOM 180 CG ASN A 12 18.350 11.886 -0.129 1.00 30.01 C ATOM 181 OD1 ASN A 12 18.695 10.620 -0.346 1.00 40.41 O flip ATOM 182 ND2 ASN A 12 18.908 12.842 -0.641 1.00 75.12 N flip ATOM 0 H ASN A 12 16.566 9.746 1.512 1.00 30.45 H new ATOM 0 HA ASN A 12 18.590 11.472 2.346 1.00 35.14 H new ATOM 0 HB2 ASN A 12 16.294 11.551 0.431 1.00 3.14 H new ATOM 0 HB3 ASN A 12 16.921 13.111 0.926 1.00 3.14 H new ATOM 0 HD21 ASN A 12 18.593 13.789 -0.431 1.00 75.12 H new ATOM 0 HD22 ASN A 12 19.690 12.694 -1.279 1.00 75.12 H new ATOM 189 N ASN A 13 15.689 11.886 3.743 1.00 24.13 N ATOM 190 CA ASN A 13 14.937 12.615 4.750 1.00 41.41 C ATOM 191 C ASN A 13 15.387 12.167 6.142 1.00 63.24 C ATOM 192 O ASN A 13 15.116 12.842 7.133 1.00 3.13 O ATOM 193 CB ASN A 13 13.438 12.338 4.626 1.00 73.44 C ATOM 194 CG ASN A 13 12.794 13.257 3.586 1.00 50.01 C ATOM 195 OD1 ASN A 13 13.542 13.458 2.505 1.00 3.33 O flip ATOM 196 ND2 ASN A 13 11.691 13.751 3.754 1.00 73.14 N flip ATOM 0 H ASN A 13 15.266 11.005 3.450 1.00 24.13 H new ATOM 0 HA ASN A 13 15.121 13.679 4.602 1.00 41.41 H new ATOM 0 HB2 ASN A 13 13.279 11.297 4.345 1.00 73.44 H new ATOM 0 HB3 ASN A 13 12.957 12.484 5.593 1.00 73.44 H new ATOM 0 HD21 ASN A 13 11.169 13.555 4.608 1.00 73.14 H new ATOM 0 HD22 ASN A 13 11.291 14.360 3.040 1.00 73.14 H new ATOM 203 N TYR A 14 16.067 11.030 6.171 1.00 43.13 N ATOM 204 CA TYR A 14 16.558 10.483 7.424 1.00 12.35 C ATOM 205 C TYR A 14 17.859 11.167 7.849 1.00 10.12 C ATOM 206 O TYR A 14 18.030 11.513 9.017 1.00 22.11 O ATOM 207 CB TYR A 14 16.837 9.003 7.158 1.00 31.23 C ATOM 208 CG TYR A 14 18.305 8.607 7.326 1.00 62.45 C ATOM 209 CD1 TYR A 14 18.922 8.744 8.553 1.00 53.25 C ATOM 210 CD2 TYR A 14 19.013 8.112 6.249 1.00 23.52 C ATOM 211 CE1 TYR A 14 20.304 8.371 8.710 1.00 54.31 C ATOM 212 CE2 TYR A 14 20.395 7.739 6.407 1.00 62.45 C ATOM 213 CZ TYR A 14 20.972 7.887 7.629 1.00 22.11 C ATOM 214 OH TYR A 14 22.277 7.535 7.778 1.00 64.33 O ATOM 0 H TYR A 14 16.289 10.473 5.346 1.00 43.13 H new ATOM 0 HA TYR A 14 15.829 10.634 8.220 1.00 12.35 H new ATOM 0 HB2 TYR A 14 16.229 8.402 7.835 1.00 31.23 H new ATOM 0 HB3 TYR A 14 16.520 8.760 6.144 1.00 31.23 H new ATOM 0 HD1 TYR A 14 18.368 9.131 9.396 1.00 53.25 H new ATOM 0 HD2 TYR A 14 18.531 8.005 5.289 1.00 23.52 H new ATOM 0 HE1 TYR A 14 20.799 8.473 9.665 1.00 54.31 H new ATOM 0 HE2 TYR A 14 20.961 7.350 5.573 1.00 62.45 H new ATOM 0 HH TYR A 14 22.626 7.205 6.924 1.00 64.33 H new ATOM 224 N LYS A 15 18.743 11.342 6.878 1.00 72.44 N ATOM 225 CA LYS A 15 20.023 11.978 7.136 1.00 23.22 C ATOM 226 C LYS A 15 19.787 13.368 7.729 1.00 54.31 C ATOM 227 O LYS A 15 20.684 13.948 8.338 1.00 0.40 O ATOM 228 CB LYS A 15 20.882 11.987 5.870 1.00 3.11 C ATOM 229 CG LYS A 15 20.052 12.382 4.647 1.00 0.41 C ATOM 230 CD LYS A 15 20.795 13.409 3.789 1.00 75.52 C ATOM 231 CE LYS A 15 20.775 14.790 4.446 1.00 20.02 C ATOM 232 NZ LYS A 15 20.539 15.843 3.433 1.00 31.30 N ATOM 0 H LYS A 15 18.598 11.054 5.910 1.00 72.44 H new ATOM 0 HA LYS A 15 20.589 11.409 7.873 1.00 23.22 H new ATOM 0 HB2 LYS A 15 21.710 12.685 5.993 1.00 3.11 H new ATOM 0 HB3 LYS A 15 21.318 11.000 5.715 1.00 3.11 H new ATOM 0 HG2 LYS A 15 19.831 11.496 4.051 1.00 0.41 H new ATOM 0 HG3 LYS A 15 19.096 12.795 4.970 1.00 0.41 H new ATOM 0 HD2 LYS A 15 21.826 13.087 3.642 1.00 75.52 H new ATOM 0 HD3 LYS A 15 20.335 13.465 2.803 1.00 75.52 H new ATOM 0 HE2 LYS A 15 19.994 14.826 5.206 1.00 20.02 H new ATOM 0 HE3 LYS A 15 21.722 14.971 4.954 1.00 20.02 H new ATOM 0 HZ1 LYS A 15 20.528 16.774 3.896 1.00 31.30 H new ATOM 0 HZ2 LYS A 15 21.298 15.818 2.723 1.00 31.30 H new ATOM 0 HZ3 LYS A 15 19.624 15.678 2.967 1.00 31.30 H new ATOM 245 N SER A 16 18.574 13.863 7.530 1.00 73.23 N ATOM 246 CA SER A 16 18.208 15.174 8.037 1.00 54.41 C ATOM 247 C SER A 16 18.021 15.115 9.554 1.00 3.24 C ATOM 248 O SER A 16 18.589 15.925 10.285 1.00 5.22 O ATOM 249 CB SER A 16 16.933 15.688 7.365 1.00 14.43 C ATOM 250 OG SER A 16 16.051 16.309 8.297 1.00 2.03 O ATOM 0 H SER A 16 17.832 13.379 7.024 1.00 73.23 H new ATOM 0 HA SER A 16 19.015 15.868 7.804 1.00 54.41 H new ATOM 0 HB2 SER A 16 17.197 16.402 6.585 1.00 14.43 H new ATOM 0 HB3 SER A 16 16.420 14.859 6.878 1.00 14.43 H new ATOM 0 HG SER A 16 15.250 16.625 7.829 1.00 2.03 H new ATOM 256 N ALA A 17 17.223 14.149 9.983 1.00 22.52 N ATOM 257 CA ALA A 17 16.955 13.973 11.400 1.00 12.15 C ATOM 258 C ALA A 17 18.255 13.606 12.120 1.00 55.24 C ATOM 259 O ALA A 17 18.322 13.647 13.347 1.00 32.11 O ATOM 260 CB ALA A 17 15.866 12.914 11.587 1.00 44.12 C ATOM 0 H ALA A 17 16.753 13.479 9.374 1.00 22.52 H new ATOM 0 HA ALA A 17 16.586 14.901 11.838 1.00 12.15 H new ATOM 0 HB1 ALA A 17 15.665 12.782 12.650 1.00 44.12 H new ATOM 0 HB2 ALA A 17 14.955 13.236 11.083 1.00 44.12 H new ATOM 0 HB3 ALA A 17 16.201 11.968 11.161 1.00 44.12 H new ATOM 266 N VAL A 18 19.255 13.256 11.324 1.00 12.14 N ATOM 267 CA VAL A 18 20.549 12.882 11.870 1.00 53.33 C ATOM 268 C VAL A 18 21.308 14.145 12.281 1.00 42.31 C ATOM 269 O VAL A 18 22.108 14.117 13.215 1.00 33.42 O ATOM 270 CB VAL A 18 21.315 12.026 10.859 1.00 10.32 C ATOM 271 CG1 VAL A 18 22.824 12.115 11.098 1.00 34.21 C ATOM 272 CG2 VAL A 18 20.838 10.573 10.898 1.00 12.22 C ATOM 0 H VAL A 18 19.195 13.224 10.306 1.00 12.14 H new ATOM 0 HA VAL A 18 20.425 12.272 12.765 1.00 53.33 H new ATOM 0 HB VAL A 18 21.110 12.419 9.863 1.00 10.32 H new ATOM 0 HG11 VAL A 18 23.345 11.498 10.366 1.00 34.21 H new ATOM 0 HG12 VAL A 18 23.148 13.151 10.996 1.00 34.21 H new ATOM 0 HG13 VAL A 18 23.055 11.760 12.102 1.00 34.21 H new ATOM 0 HG21 VAL A 18 21.398 9.986 10.170 1.00 12.22 H new ATOM 0 HG22 VAL A 18 20.999 10.164 11.895 1.00 12.22 H new ATOM 0 HG23 VAL A 18 19.776 10.532 10.656 1.00 12.22 H new ATOM 282 N GLY A 19 21.031 15.224 11.563 1.00 63.21 N ATOM 283 CA GLY A 19 21.678 16.495 11.841 1.00 24.34 C ATOM 284 C GLY A 19 21.469 16.909 13.299 1.00 31.24 C ATOM 285 O GLY A 19 22.433 17.118 14.034 1.00 42.13 O ATOM 0 H GLY A 19 20.367 15.244 10.789 1.00 63.21 H new ATOM 0 HA2 GLY A 19 22.745 16.418 11.630 1.00 24.34 H new ATOM 0 HA3 GLY A 19 21.277 17.263 11.180 1.00 24.34 H new ATOM 289 N PRO A 20 20.169 17.018 13.685 1.00 63.51 N ATOM 290 CA PRO A 20 19.821 17.403 15.042 1.00 71.12 C ATOM 291 C PRO A 20 20.049 16.246 16.016 1.00 22.43 C ATOM 292 O PRO A 20 20.257 16.465 17.209 1.00 43.14 O ATOM 293 CB PRO A 20 18.366 17.838 14.966 1.00 24.42 C ATOM 294 CG PRO A 20 17.820 17.244 13.678 1.00 63.12 C ATOM 295 CD PRO A 20 19.001 16.777 12.842 1.00 3.44 C ATOM 0 HA PRO A 20 20.445 18.211 15.423 1.00 71.12 H new ATOM 0 HB2 PRO A 20 17.806 17.480 15.830 1.00 24.42 H new ATOM 0 HB3 PRO A 20 18.283 18.925 14.961 1.00 24.42 H new ATOM 0 HG2 PRO A 20 17.153 16.410 13.895 1.00 63.12 H new ATOM 0 HG3 PRO A 20 17.236 17.986 13.133 1.00 63.12 H new ATOM 0 HD2 PRO A 20 18.910 15.722 12.583 1.00 3.44 H new ATOM 0 HD3 PRO A 20 19.067 17.331 11.906 1.00 3.44 H new ATOM 303 N ALA A 21 20.003 15.038 15.473 1.00 53.35 N ATOM 304 CA ALA A 21 20.202 13.846 16.279 1.00 41.11 C ATOM 305 C ALA A 21 21.524 13.965 17.039 1.00 5.11 C ATOM 306 O ALA A 21 21.699 13.348 18.089 1.00 51.22 O ATOM 307 CB ALA A 21 20.155 12.608 15.381 1.00 42.43 C ATOM 0 H ALA A 21 19.831 14.859 14.484 1.00 53.35 H new ATOM 0 HA ALA A 21 19.406 13.744 17.016 1.00 41.11 H new ATOM 0 HB1 ALA A 21 20.304 11.714 15.986 1.00 42.43 H new ATOM 0 HB2 ALA A 21 19.185 12.554 14.887 1.00 42.43 H new ATOM 0 HB3 ALA A 21 20.942 12.673 14.630 1.00 42.43 H new ATOM 313 N ASP A 22 22.422 14.763 16.479 1.00 22.34 N ATOM 314 CA ASP A 22 23.724 14.971 17.091 1.00 34.45 C ATOM 315 C ASP A 22 23.561 15.830 18.347 1.00 53.13 C ATOM 316 O ASP A 22 24.304 15.670 19.314 1.00 52.03 O ATOM 317 CB ASP A 22 24.670 15.702 16.138 1.00 64.44 C ATOM 318 CG ASP A 22 26.118 15.208 16.159 1.00 24.22 C ATOM 319 OD1 ASP A 22 26.838 15.295 15.153 1.00 0.22 O ATOM 320 OD2 ASP A 22 26.508 14.709 17.283 1.00 15.04 O ATOM 0 H ASP A 22 22.274 15.273 15.608 1.00 22.34 H new ATOM 0 HA ASP A 22 24.142 13.994 17.335 1.00 34.45 H new ATOM 0 HB2 ASP A 22 24.284 15.607 15.123 1.00 64.44 H new ATOM 0 HB3 ASP A 22 24.661 16.764 16.384 1.00 64.44 H new ATOM 326 N TRP A 23 22.584 16.723 18.291 1.00 52.33 N ATOM 327 CA TRP A 23 22.314 17.608 19.411 1.00 12.31 C ATOM 328 C TRP A 23 21.671 16.779 20.525 1.00 63.13 C ATOM 329 O TRP A 23 22.127 16.808 21.667 1.00 73.01 O ATOM 330 CB TRP A 23 21.452 18.795 18.977 1.00 51.43 C ATOM 331 CG TRP A 23 19.947 18.545 19.087 1.00 14.02 C ATOM 332 CD1 TRP A 23 19.045 18.484 18.097 1.00 5.52 C ATOM 333 CD2 TRP A 23 19.199 18.322 20.301 1.00 11.43 C ATOM 334 NE1 TRP A 23 17.777 18.240 18.582 1.00 13.24 N ATOM 335 CE2 TRP A 23 17.873 18.138 19.965 1.00 1.44 C ATOM 336 CE3 TRP A 23 19.629 18.278 21.639 1.00 34.23 C ATOM 337 CZ2 TRP A 23 16.869 17.898 20.911 1.00 60.53 C ATOM 338 CZ3 TRP A 23 18.613 18.036 22.572 1.00 11.11 C ATOM 339 CH2 TRP A 23 17.274 17.849 22.250 1.00 33.00 C ATOM 0 H TRP A 23 21.970 16.853 17.487 1.00 52.33 H new ATOM 0 HA TRP A 23 23.239 18.043 19.790 1.00 12.31 H new ATOM 0 HB2 TRP A 23 21.711 19.661 19.586 1.00 51.43 H new ATOM 0 HB3 TRP A 23 21.693 19.048 17.945 1.00 51.43 H new ATOM 0 HD1 TRP A 23 19.282 18.610 17.051 1.00 5.52 H new ATOM 0 HE1 TRP A 23 16.925 18.151 18.028 1.00 13.24 H new ATOM 0 HE3 TRP A 23 20.661 18.420 21.925 1.00 34.23 H new ATOM 0 HZ2 TRP A 23 15.838 17.758 20.623 1.00 60.53 H new ATOM 0 HZ3 TRP A 23 18.889 17.992 23.615 1.00 11.11 H new ATOM 0 HH2 TRP A 23 16.549 17.667 23.030 1.00 33.00 H new ATOM 350 N VAL A 24 20.623 16.059 20.153 1.00 60.12 N ATOM 351 CA VAL A 24 19.913 15.223 21.106 1.00 23.20 C ATOM 352 C VAL A 24 20.895 14.238 21.745 1.00 42.44 C ATOM 353 O VAL A 24 20.985 14.151 22.968 1.00 10.32 O ATOM 354 CB VAL A 24 18.735 14.530 20.419 1.00 54.43 C ATOM 355 CG1 VAL A 24 18.974 13.024 20.305 1.00 21.45 C ATOM 356 CG2 VAL A 24 17.424 14.824 21.151 1.00 74.20 C ATOM 0 H VAL A 24 20.248 16.037 19.205 1.00 60.12 H new ATOM 0 HA VAL A 24 19.493 15.831 21.908 1.00 23.20 H new ATOM 0 HB VAL A 24 18.653 14.932 19.409 1.00 54.43 H new ATOM 0 HG11 VAL A 24 18.121 12.556 19.813 1.00 21.45 H new ATOM 0 HG12 VAL A 24 19.875 12.842 19.720 1.00 21.45 H new ATOM 0 HG13 VAL A 24 19.096 12.599 21.301 1.00 21.45 H new ATOM 0 HG21 VAL A 24 16.602 14.320 20.642 1.00 74.20 H new ATOM 0 HG22 VAL A 24 17.492 14.463 22.177 1.00 74.20 H new ATOM 0 HG23 VAL A 24 17.243 15.899 21.155 1.00 74.20 H new ATOM 366 N ILE A 25 21.607 13.522 20.887 1.00 32.30 N ATOM 367 CA ILE A 25 22.579 12.547 21.352 1.00 32.21 C ATOM 368 C ILE A 25 23.645 13.256 22.190 1.00 60.24 C ATOM 369 O ILE A 25 24.158 12.692 23.155 1.00 35.31 O ATOM 370 CB ILE A 25 23.149 11.754 20.174 1.00 53.41 C ATOM 371 CG1 ILE A 25 23.421 10.302 20.570 1.00 20.15 C ATOM 372 CG2 ILE A 25 24.395 12.437 19.606 1.00 73.33 C ATOM 373 CD1 ILE A 25 22.409 9.357 19.920 1.00 60.14 C ATOM 0 H ILE A 25 21.530 13.598 19.873 1.00 32.30 H new ATOM 0 HA ILE A 25 22.101 11.812 21.999 1.00 32.21 H new ATOM 0 HB ILE A 25 22.402 11.736 19.381 1.00 53.41 H new ATOM 0 HG12 ILE A 25 24.431 10.022 20.269 1.00 20.15 H new ATOM 0 HG13 ILE A 25 23.373 10.202 21.654 1.00 20.15 H new ATOM 0 HG21 ILE A 25 24.781 11.853 18.770 1.00 73.33 H new ATOM 0 HG22 ILE A 25 24.136 13.438 19.261 1.00 73.33 H new ATOM 0 HG23 ILE A 25 25.157 12.507 20.382 1.00 73.33 H new ATOM 0 HD11 ILE A 25 22.625 8.331 20.218 1.00 60.14 H new ATOM 0 HD12 ILE A 25 21.403 9.624 20.242 1.00 60.14 H new ATOM 0 HD13 ILE A 25 22.477 9.441 18.835 1.00 60.14 H new ATOM 385 N SER A 26 23.948 14.482 21.789 1.00 15.04 N ATOM 386 CA SER A 26 24.943 15.274 22.491 1.00 25.10 C ATOM 387 C SER A 26 24.449 15.607 23.900 1.00 1.50 C ATOM 388 O SER A 26 25.203 15.507 24.866 1.00 5.24 O ATOM 389 CB SER A 26 25.266 16.558 21.724 1.00 24.21 C ATOM 390 OG SER A 26 25.906 17.527 22.550 1.00 31.25 O ATOM 0 H SER A 26 23.522 14.946 20.987 1.00 15.04 H new ATOM 0 HA SER A 26 25.858 14.686 22.564 1.00 25.10 H new ATOM 0 HB2 SER A 26 25.910 16.322 20.877 1.00 24.21 H new ATOM 0 HB3 SER A 26 24.346 16.979 21.318 1.00 24.21 H new ATOM 0 HG SER A 26 26.097 18.331 22.023 1.00 31.25 H new ATOM 396 N ALA A 27 23.185 15.997 23.972 1.00 11.31 N ATOM 397 CA ALA A 27 22.581 16.346 25.247 1.00 51.22 C ATOM 398 C ALA A 27 22.392 15.078 26.081 1.00 23.31 C ATOM 399 O ALA A 27 22.434 15.126 27.309 1.00 13.44 O ATOM 400 CB ALA A 27 21.263 17.085 25.002 1.00 23.44 C ATOM 0 H ALA A 27 22.562 16.079 23.168 1.00 11.31 H new ATOM 0 HA ALA A 27 23.231 17.016 25.809 1.00 51.22 H new ATOM 0 HB1 ALA A 27 20.810 17.347 25.958 1.00 23.44 H new ATOM 0 HB2 ALA A 27 21.456 17.993 24.431 1.00 23.44 H new ATOM 0 HB3 ALA A 27 20.584 16.442 24.442 1.00 23.44 H new ATOM 406 N VAL A 28 22.189 13.972 25.380 1.00 22.34 N ATOM 407 CA VAL A 28 21.994 12.692 26.041 1.00 1.31 C ATOM 408 C VAL A 28 23.255 12.332 26.829 1.00 44.52 C ATOM 409 O VAL A 28 23.181 12.016 28.015 1.00 5.22 O ATOM 410 CB VAL A 28 21.606 11.627 25.014 1.00 63.31 C ATOM 411 CG1 VAL A 28 21.509 10.246 25.666 1.00 5.12 C ATOM 412 CG2 VAL A 28 20.298 11.994 24.310 1.00 23.22 C ATOM 0 H VAL A 28 22.155 13.936 24.361 1.00 22.34 H new ATOM 0 HA VAL A 28 21.172 12.752 26.754 1.00 1.31 H new ATOM 0 HB VAL A 28 22.392 11.587 24.260 1.00 63.31 H new ATOM 0 HG11 VAL A 28 21.232 9.507 24.914 1.00 5.12 H new ATOM 0 HG12 VAL A 28 22.473 9.979 26.098 1.00 5.12 H new ATOM 0 HG13 VAL A 28 20.753 10.266 26.451 1.00 5.12 H new ATOM 0 HG21 VAL A 28 20.045 11.220 23.585 1.00 23.22 H new ATOM 0 HG22 VAL A 28 19.499 12.076 25.047 1.00 23.22 H new ATOM 0 HG23 VAL A 28 20.417 12.948 23.796 1.00 23.22 H new ATOM 422 N ARG A 29 24.384 12.393 26.137 1.00 32.11 N ATOM 423 CA ARG A 29 25.659 12.077 26.757 1.00 4.32 C ATOM 424 C ARG A 29 26.052 13.172 27.751 1.00 50.41 C ATOM 425 O ARG A 29 26.780 12.915 28.708 1.00 30.13 O ATOM 426 CB ARG A 29 26.762 11.933 25.706 1.00 31.12 C ATOM 427 CG ARG A 29 27.437 13.278 25.432 1.00 65.02 C ATOM 428 CD ARG A 29 28.037 13.313 24.025 1.00 41.44 C ATOM 429 NE ARG A 29 28.218 11.935 23.517 1.00 41.23 N ATOM 430 CZ ARG A 29 29.342 11.207 23.688 1.00 72.11 C ATOM 431 NH1 ARG A 29 30.396 11.721 24.357 1.00 60.33 N ATOM 432 NH2 ARG A 29 29.394 9.985 23.191 1.00 24.04 N ATOM 0 H ARG A 29 24.442 12.657 25.153 1.00 32.11 H new ATOM 0 HA ARG A 29 25.546 11.128 27.282 1.00 4.32 H new ATOM 0 HB2 ARG A 29 27.505 11.213 26.049 1.00 31.12 H new ATOM 0 HB3 ARG A 29 26.339 11.539 24.782 1.00 31.12 H new ATOM 0 HG2 ARG A 29 26.710 14.083 25.542 1.00 65.02 H new ATOM 0 HG3 ARG A 29 28.220 13.453 26.170 1.00 65.02 H new ATOM 0 HD2 ARG A 29 27.384 13.873 23.356 1.00 41.44 H new ATOM 0 HD3 ARG A 29 28.995 13.832 24.042 1.00 41.44 H new ATOM 0 HE ARG A 29 27.445 11.509 23.006 1.00 41.23 H new ATOM 0 HH11 ARG A 29 30.347 12.666 24.738 1.00 60.33 H new ATOM 0 HH12 ARG A 29 31.242 11.164 24.482 1.00 60.33 H new ATOM 0 HH21 ARG A 29 28.593 9.605 22.687 1.00 24.04 H new ATOM 0 HH22 ARG A 29 30.235 9.421 23.311 1.00 24.04 H new ATOM 445 N GLY A 30 25.552 14.371 27.489 1.00 3.32 N ATOM 446 CA GLY A 30 25.842 15.507 28.349 1.00 73.43 C ATOM 447 C GLY A 30 25.044 15.425 29.652 1.00 42.11 C ATOM 448 O GLY A 30 25.529 15.831 30.707 1.00 50.31 O ATOM 0 H GLY A 30 24.948 14.581 26.694 1.00 3.32 H new ATOM 0 HA2 GLY A 30 26.908 15.536 28.573 1.00 73.43 H new ATOM 0 HA3 GLY A 30 25.600 16.433 27.828 1.00 73.43 H new ATOM 452 N PHE A 31 23.835 14.897 29.536 1.00 55.40 N ATOM 453 CA PHE A 31 22.965 14.757 30.692 1.00 41.42 C ATOM 454 C PHE A 31 23.364 13.544 31.534 1.00 1.13 C ATOM 455 O PHE A 31 23.124 13.515 32.740 1.00 14.12 O ATOM 456 CB PHE A 31 21.545 14.550 30.161 1.00 3.20 C ATOM 457 CG PHE A 31 20.722 13.541 30.964 1.00 61.54 C ATOM 458 CD1 PHE A 31 20.058 13.940 32.082 1.00 64.24 C ATOM 459 CD2 PHE A 31 20.654 12.244 30.559 1.00 21.10 C ATOM 460 CE1 PHE A 31 19.295 13.003 32.826 1.00 34.24 C ATOM 461 CE2 PHE A 31 19.890 11.307 31.304 1.00 62.11 C ATOM 462 CZ PHE A 31 19.227 11.706 32.422 1.00 54.11 C ATOM 0 H PHE A 31 23.437 14.561 28.659 1.00 55.40 H new ATOM 0 HA PHE A 31 23.038 15.643 31.322 1.00 41.42 H new ATOM 0 HB2 PHE A 31 21.025 15.508 30.159 1.00 3.20 H new ATOM 0 HB3 PHE A 31 21.601 14.216 29.125 1.00 3.20 H new ATOM 0 HD1 PHE A 31 20.111 14.970 32.403 1.00 64.24 H new ATOM 0 HD2 PHE A 31 21.181 11.927 29.671 1.00 21.10 H new ATOM 0 HE1 PHE A 31 18.768 13.320 33.714 1.00 34.24 H new ATOM 0 HE2 PHE A 31 19.836 10.277 30.983 1.00 62.11 H new ATOM 0 HZ PHE A 31 18.647 10.993 32.989 1.00 54.11 H new ATOM 472 N ILE A 32 23.967 12.572 30.866 1.00 50.03 N ATOM 473 CA ILE A 32 24.402 11.359 31.538 1.00 54.32 C ATOM 474 C ILE A 32 25.355 11.726 32.677 1.00 52.21 C ATOM 475 O ILE A 32 25.276 11.158 33.765 1.00 75.11 O ATOM 476 CB ILE A 32 24.997 10.373 30.531 1.00 21.12 C ATOM 477 CG1 ILE A 32 24.583 8.937 30.859 1.00 15.14 C ATOM 478 CG2 ILE A 32 26.517 10.526 30.447 1.00 22.35 C ATOM 479 CD1 ILE A 32 24.203 8.172 29.590 1.00 42.11 C ATOM 0 H ILE A 32 24.165 12.600 29.866 1.00 50.03 H new ATOM 0 HA ILE A 32 23.552 10.846 31.987 1.00 54.32 H new ATOM 0 HB ILE A 32 24.594 10.607 29.545 1.00 21.12 H new ATOM 0 HG12 ILE A 32 25.402 8.425 31.365 1.00 15.14 H new ATOM 0 HG13 ILE A 32 23.739 8.947 31.548 1.00 15.14 H new ATOM 0 HG21 ILE A 32 26.915 9.814 29.724 1.00 22.35 H new ATOM 0 HG22 ILE A 32 26.764 11.540 30.131 1.00 22.35 H new ATOM 0 HG23 ILE A 32 26.957 10.334 31.426 1.00 22.35 H new ATOM 0 HD11 ILE A 32 23.913 7.154 29.852 1.00 42.11 H new ATOM 0 HD12 ILE A 32 23.368 8.673 29.100 1.00 42.11 H new ATOM 0 HD13 ILE A 32 25.057 8.143 28.913 1.00 42.11 H new ATOM 491 N HIS A 33 26.234 12.674 32.388 1.00 42.13 N ATOM 492 CA HIS A 33 27.202 13.124 33.374 1.00 34.32 C ATOM 493 C HIS A 33 26.554 14.163 34.291 1.00 2.33 C ATOM 494 O HIS A 33 27.099 14.494 35.343 1.00 22.23 O ATOM 495 CB HIS A 33 28.471 13.641 32.694 1.00 14.31 C ATOM 496 CG HIS A 33 28.275 14.926 31.925 1.00 74.13 C ATOM 497 ND1 HIS A 33 28.331 16.173 32.522 1.00 40.35 N ATOM 498 CD2 HIS A 33 28.023 15.143 30.602 1.00 65.13 C ATOM 499 CE1 HIS A 33 28.121 17.092 31.591 1.00 51.24 C ATOM 500 NE2 HIS A 33 27.930 16.452 30.402 1.00 60.34 N ATOM 0 H HIS A 33 26.296 13.143 31.485 1.00 42.13 H new ATOM 0 HA HIS A 33 27.511 12.284 33.996 1.00 34.32 H new ATOM 0 HB2 HIS A 33 29.239 13.796 33.451 1.00 14.31 H new ATOM 0 HB3 HIS A 33 28.844 12.876 32.014 1.00 14.31 H new ATOM 0 HD1 HIS A 33 28.504 16.354 33.511 1.00 40.35 H new ATOM 0 HD2 HIS A 33 27.917 14.379 29.846 1.00 65.13 H new ATOM 0 HE1 HIS A 33 28.104 18.161 31.746 1.00 51.24 H new ATOM 508 N GLY A 34 25.400 14.650 33.859 1.00 63.22 N ATOM 509 CA GLY A 34 24.673 15.645 34.628 1.00 55.23 C ATOM 510 C GLY A 34 24.168 15.058 35.947 1.00 31.51 C ATOM 511 O GLY A 34 23.163 14.348 35.971 1.00 44.12 O ATOM 0 H GLY A 34 24.951 14.374 32.986 1.00 63.22 H new ATOM 0 HA2 GLY A 34 25.321 16.498 34.830 1.00 55.23 H new ATOM 0 HA3 GLY A 34 23.830 16.016 34.045 1.00 55.23 H new TER 515 GLY A 34