USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 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+ -158:sc= -0.238 (180deg=-1.18) USER MOD Single : A 3 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=-0.63) 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 : amide:sc= -1.87! K(o=-1.9!,f=-0.83) USER MOD Single : A 13 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.45) 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= -7.48! C(o=-7.5!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA VAL A 1 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C VAL A 1 3.495 -0.500 -0.981 1.00 40.41 C ATOM 4 O VAL A 1 3.925 -0.580 0.169 1.00 50.35 O ATOM 5 CB VAL A 1 2.037 1.393 -1.878 1.00 30.22 C ATOM 6 CG1 VAL A 1 2.406 1.331 -3.361 1.00 55.14 C ATOM 7 CG2 VAL A 1 0.669 2.050 -1.679 1.00 64.53 C ATOM 0 H1 VAL A 1 0.306 -0.030 -0.207 1.00 11.00 H new ATOM 0 H2 VAL A 1 1.589 -0.834 0.563 1.00 11.00 H new ATOM 0 H3 VAL A 1 1.544 0.864 0.536 1.00 11.00 H new ATOM 0 HA VAL A 1 1.617 -0.680 -1.966 1.00 3.05 H new ATOM 0 HB VAL A 1 2.781 2.010 -1.374 1.00 30.22 H new ATOM 0 HG11 VAL A 1 2.373 2.334 -3.786 1.00 55.14 H new ATOM 0 HG12 VAL A 1 3.411 0.924 -3.469 1.00 55.14 H new ATOM 0 HG13 VAL A 1 1.697 0.691 -3.886 1.00 55.14 H new ATOM 0 HG21 VAL A 1 0.670 3.039 -2.137 1.00 64.53 H new ATOM 0 HG22 VAL A 1 -0.101 1.435 -2.145 1.00 64.53 H new ATOM 0 HG23 VAL A 1 0.462 2.145 -0.613 1.00 64.53 H new ATOM 17 N PHE A 2 4.186 -0.823 -2.065 1.00 15.33 N ATOM 18 CA PHE A 2 5.550 -1.312 -1.964 1.00 71.44 C ATOM 19 C PHE A 2 6.308 -1.096 -3.276 1.00 1.34 C ATOM 20 O PHE A 2 6.875 -2.035 -3.831 1.00 44.03 O ATOM 21 CB PHE A 2 5.467 -2.813 -1.679 1.00 74.23 C ATOM 22 CG PHE A 2 4.870 -3.632 -2.826 1.00 24.21 C ATOM 23 CD1 PHE A 2 3.576 -3.440 -3.197 1.00 63.45 C ATOM 24 CD2 PHE A 2 5.635 -4.552 -3.474 1.00 34.13 C ATOM 25 CE1 PHE A 2 3.023 -4.200 -4.262 1.00 30.43 C ATOM 26 CE2 PHE A 2 5.081 -5.312 -4.538 1.00 23.12 C ATOM 27 CZ PHE A 2 3.787 -5.120 -4.909 1.00 62.34 C ATOM 0 H PHE A 2 3.826 -0.755 -3.017 1.00 15.33 H new ATOM 0 HA PHE A 2 6.080 -0.777 -1.176 1.00 71.44 H new ATOM 0 HB2 PHE A 2 6.467 -3.187 -1.461 1.00 74.23 H new ATOM 0 HB3 PHE A 2 4.866 -2.970 -0.783 1.00 74.23 H new ATOM 0 HD1 PHE A 2 2.969 -2.710 -2.682 1.00 63.45 H new ATOM 0 HD2 PHE A 2 6.663 -4.704 -3.179 1.00 34.13 H new ATOM 0 HE1 PHE A 2 1.996 -4.047 -4.558 1.00 30.43 H new ATOM 0 HE2 PHE A 2 5.688 -6.043 -5.053 1.00 23.12 H new ATOM 0 HZ PHE A 2 3.366 -5.699 -5.718 1.00 62.34 H new ATOM 37 N HIS A 3 6.293 0.148 -3.732 1.00 42.10 N ATOM 38 CA HIS A 3 6.972 0.500 -4.967 1.00 43.14 C ATOM 39 C HIS A 3 6.854 2.007 -5.207 1.00 32.41 C ATOM 40 O HIS A 3 7.801 2.642 -5.667 1.00 41.10 O ATOM 41 CB HIS A 3 6.438 -0.330 -6.136 1.00 42.04 C ATOM 42 CG HIS A 3 6.546 0.357 -7.477 1.00 73.10 C ATOM 43 ND1 HIS A 3 7.334 -0.127 -8.506 1.00 71.34 N ATOM 44 CD2 HIS A 3 5.956 1.494 -7.946 1.00 2.14 C ATOM 45 CE1 HIS A 3 7.217 0.690 -9.543 1.00 2.05 C ATOM 46 NE2 HIS A 3 6.363 1.695 -9.193 1.00 24.42 N ATOM 0 H HIS A 3 5.821 0.924 -3.268 1.00 42.10 H new ATOM 0 HA HIS A 3 8.033 0.263 -4.883 1.00 43.14 H new ATOM 0 HB2 HIS A 3 6.983 -1.273 -6.177 1.00 42.04 H new ATOM 0 HB3 HIS A 3 5.393 -0.574 -5.947 1.00 42.04 H new ATOM 0 HD2 HIS A 3 5.273 2.124 -7.396 1.00 2.14 H new ATOM 0 HE1 HIS A 3 7.711 0.580 -10.497 1.00 2.05 H new ATOM 0 HE2 HIS A 3 6.084 2.472 -9.791 1.00 24.42 H new ATOM 54 N ALA A 4 5.682 2.534 -4.884 1.00 2.20 N ATOM 55 CA ALA A 4 5.427 3.954 -5.058 1.00 44.11 C ATOM 56 C ALA A 4 6.315 4.749 -4.098 1.00 60.31 C ATOM 57 O ALA A 4 6.499 5.953 -4.270 1.00 21.32 O ATOM 58 CB ALA A 4 3.939 4.236 -4.844 1.00 72.31 C ATOM 0 H ALA A 4 4.899 2.003 -4.503 1.00 2.20 H new ATOM 0 HA ALA A 4 5.675 4.267 -6.072 1.00 44.11 H new ATOM 0 HB1 ALA A 4 3.748 5.301 -4.975 1.00 72.31 H new ATOM 0 HB2 ALA A 4 3.354 3.671 -5.569 1.00 72.31 H new ATOM 0 HB3 ALA A 4 3.653 3.937 -3.835 1.00 72.31 H new ATOM 64 N TYR A 5 6.842 4.043 -3.108 1.00 72.35 N ATOM 65 CA TYR A 5 7.706 4.667 -2.121 1.00 13.00 C ATOM 66 C TYR A 5 9.087 4.962 -2.709 1.00 61.21 C ATOM 67 O TYR A 5 9.355 4.639 -3.865 1.00 42.03 O ATOM 68 CB TYR A 5 7.854 3.650 -0.987 1.00 54.52 C ATOM 69 CG TYR A 5 6.711 3.681 0.029 1.00 14.33 C ATOM 70 CD1 TYR A 5 5.509 3.070 -0.265 1.00 12.20 C ATOM 71 CD2 TYR A 5 6.881 4.320 1.241 1.00 44.54 C ATOM 72 CE1 TYR A 5 4.433 3.099 0.692 1.00 51.33 C ATOM 73 CE2 TYR A 5 5.806 4.350 2.197 1.00 35.43 C ATOM 74 CZ TYR A 5 4.634 3.738 1.876 1.00 64.43 C ATOM 75 OH TYR A 5 3.618 3.765 2.779 1.00 3.12 O ATOM 0 H TYR A 5 6.687 3.045 -2.969 1.00 72.35 H new ATOM 0 HA TYR A 5 7.282 5.612 -1.782 1.00 13.00 H new ATOM 0 HB2 TYR A 5 7.918 2.650 -1.416 1.00 54.52 H new ATOM 0 HB3 TYR A 5 8.794 3.835 -0.467 1.00 54.52 H new ATOM 0 HD1 TYR A 5 5.375 2.570 -1.213 1.00 12.20 H new ATOM 0 HD2 TYR A 5 7.822 4.798 1.472 1.00 44.54 H new ATOM 0 HE1 TYR A 5 3.488 2.624 0.474 1.00 51.33 H new ATOM 0 HE2 TYR A 5 5.927 4.847 3.148 1.00 35.43 H new ATOM 0 HH TYR A 5 3.904 4.254 3.579 1.00 3.12 H new ATOM 85 N SER A 6 9.928 5.572 -1.886 1.00 75.42 N ATOM 86 CA SER A 6 11.275 5.914 -2.310 1.00 74.53 C ATOM 87 C SER A 6 12.236 5.821 -1.124 1.00 22.52 C ATOM 88 O SER A 6 12.375 6.772 -0.357 1.00 21.13 O ATOM 89 CB SER A 6 11.320 7.315 -2.922 1.00 3.11 C ATOM 90 OG SER A 6 10.519 7.412 -4.096 1.00 75.41 O ATOM 0 H SER A 6 9.702 5.838 -0.928 1.00 75.42 H new ATOM 0 HA SER A 6 11.584 5.203 -3.076 1.00 74.53 H new ATOM 0 HB2 SER A 6 10.975 8.043 -2.187 1.00 3.11 H new ATOM 0 HB3 SER A 6 12.351 7.571 -3.165 1.00 3.11 H new ATOM 0 HG SER A 6 10.574 8.322 -4.455 1.00 75.41 H new ATOM 96 N ALA A 7 12.875 4.665 -1.010 1.00 42.53 N ATOM 97 CA ALA A 7 13.820 4.436 0.070 1.00 72.34 C ATOM 98 C ALA A 7 14.939 5.477 -0.007 1.00 74.41 C ATOM 99 O ALA A 7 15.458 5.912 1.020 1.00 73.15 O ATOM 100 CB ALA A 7 14.350 3.003 -0.012 1.00 31.22 C ATOM 0 H ALA A 7 12.757 3.878 -1.648 1.00 42.53 H new ATOM 0 HA ALA A 7 13.332 4.549 1.038 1.00 72.34 H new ATOM 0 HB1 ALA A 7 15.059 2.830 0.798 1.00 31.22 H new ATOM 0 HB2 ALA A 7 13.520 2.302 0.077 1.00 31.22 H new ATOM 0 HB3 ALA A 7 14.849 2.854 -0.969 1.00 31.22 H new ATOM 106 N ARG A 8 15.277 5.845 -1.234 1.00 1.42 N ATOM 107 CA ARG A 8 16.325 6.827 -1.458 1.00 32.11 C ATOM 108 C ARG A 8 15.902 8.190 -0.907 1.00 11.04 C ATOM 109 O ARG A 8 16.728 9.091 -0.767 1.00 21.51 O ATOM 110 CB ARG A 8 16.642 6.963 -2.948 1.00 51.44 C ATOM 111 CG ARG A 8 17.918 6.200 -3.310 1.00 34.23 C ATOM 112 CD ARG A 8 17.602 4.748 -3.677 1.00 44.30 C ATOM 113 NE ARG A 8 17.151 4.009 -2.477 1.00 10.21 N ATOM 114 CZ ARG A 8 17.182 2.665 -2.360 1.00 20.40 C ATOM 115 NH1 ARG A 8 17.644 1.899 -3.372 1.00 3.45 N ATOM 116 NH2 ARG A 8 16.753 2.109 -1.242 1.00 4.42 N ATOM 0 H ARG A 8 14.844 5.481 -2.083 1.00 1.42 H new ATOM 0 HA ARG A 8 17.219 6.483 -0.938 1.00 32.11 H new ATOM 0 HB2 ARG A 8 15.807 6.583 -3.537 1.00 51.44 H new ATOM 0 HB3 ARG A 8 16.759 8.016 -3.204 1.00 51.44 H new ATOM 0 HG2 ARG A 8 18.415 6.691 -4.147 1.00 34.23 H new ATOM 0 HG3 ARG A 8 18.611 6.224 -2.469 1.00 34.23 H new ATOM 0 HD2 ARG A 8 16.828 4.718 -4.444 1.00 44.30 H new ATOM 0 HD3 ARG A 8 18.487 4.270 -4.097 1.00 44.30 H new ATOM 0 HE ARG A 8 16.794 4.549 -1.689 1.00 10.21 H new ATOM 0 HH11 ARG A 8 17.973 2.336 -4.233 1.00 3.45 H new ATOM 0 HH12 ARG A 8 17.664 0.884 -3.275 1.00 3.45 H new ATOM 0 HH21 ARG A 8 16.405 2.694 -0.482 1.00 4.42 H new ATOM 0 HH22 ARG A 8 16.770 1.094 -1.138 1.00 4.42 H new ATOM 129 N GLY A 9 14.616 8.299 -0.608 1.00 74.22 N ATOM 130 CA GLY A 9 14.073 9.537 -0.075 1.00 61.03 C ATOM 131 C GLY A 9 13.781 9.408 1.421 1.00 3.52 C ATOM 132 O GLY A 9 13.904 10.379 2.167 1.00 40.13 O ATOM 0 H GLY A 9 13.934 7.550 -0.725 1.00 74.22 H new ATOM 0 HA2 GLY A 9 14.779 10.350 -0.243 1.00 61.03 H new ATOM 0 HA3 GLY A 9 13.157 9.796 -0.607 1.00 61.03 H new ATOM 136 N VAL A 10 13.401 8.202 1.816 1.00 54.41 N ATOM 137 CA VAL A 10 13.090 7.934 3.210 1.00 43.41 C ATOM 138 C VAL A 10 14.361 8.086 4.049 1.00 71.52 C ATOM 139 O VAL A 10 14.358 8.774 5.068 1.00 33.33 O ATOM 140 CB VAL A 10 12.445 6.554 3.346 1.00 15.13 C ATOM 141 CG1 VAL A 10 13.502 5.475 3.587 1.00 43.32 C ATOM 142 CG2 VAL A 10 11.393 6.548 4.457 1.00 13.34 C ATOM 0 H VAL A 10 13.301 7.399 1.195 1.00 54.41 H new ATOM 0 HA VAL A 10 12.364 8.655 3.586 1.00 43.41 H new ATOM 0 HB VAL A 10 11.942 6.326 2.406 1.00 15.13 H new ATOM 0 HG11 VAL A 10 13.016 4.504 3.680 1.00 43.32 H new ATOM 0 HG12 VAL A 10 14.198 5.454 2.748 1.00 43.32 H new ATOM 0 HG13 VAL A 10 14.046 5.698 4.505 1.00 43.32 H new ATOM 0 HG21 VAL A 10 10.950 5.555 4.533 1.00 13.34 H new ATOM 0 HG22 VAL A 10 11.864 6.809 5.405 1.00 13.34 H new ATOM 0 HG23 VAL A 10 10.615 7.276 4.226 1.00 13.34 H new ATOM 152 N ARG A 11 15.417 7.431 3.589 1.00 72.05 N ATOM 153 CA ARG A 11 16.692 7.484 4.284 1.00 73.12 C ATOM 154 C ARG A 11 17.269 8.900 4.228 1.00 75.13 C ATOM 155 O ARG A 11 17.813 9.392 5.215 1.00 33.21 O ATOM 156 CB ARG A 11 17.696 6.507 3.669 1.00 75.15 C ATOM 157 CG ARG A 11 17.978 6.859 2.207 1.00 73.05 C ATOM 158 CD ARG A 11 18.440 5.627 1.425 1.00 1.34 C ATOM 159 NE ARG A 11 19.428 4.865 2.221 1.00 20.10 N ATOM 160 CZ ARG A 11 20.706 5.254 2.415 1.00 61.13 C ATOM 161 NH1 ARG A 11 21.163 6.402 1.871 1.00 52.02 N ATOM 162 NH2 ARG A 11 21.503 4.495 3.144 1.00 73.21 N ATOM 0 H ARG A 11 15.416 6.861 2.743 1.00 72.05 H new ATOM 0 HA ARG A 11 16.516 7.201 5.322 1.00 73.12 H new ATOM 0 HB2 ARG A 11 18.625 6.529 4.238 1.00 75.15 H new ATOM 0 HB3 ARG A 11 17.307 5.491 3.734 1.00 75.15 H new ATOM 0 HG2 ARG A 11 17.078 7.269 1.748 1.00 73.05 H new ATOM 0 HG3 ARG A 11 18.743 7.634 2.157 1.00 73.05 H new ATOM 0 HD2 ARG A 11 17.585 4.994 1.189 1.00 1.34 H new ATOM 0 HD3 ARG A 11 18.882 5.932 0.477 1.00 1.34 H new ATOM 0 HE ARG A 11 19.124 3.991 2.650 1.00 20.10 H new ATOM 0 HH11 ARG A 11 20.541 6.983 1.308 1.00 52.02 H new ATOM 0 HH12 ARG A 11 22.130 6.689 2.023 1.00 52.02 H new ATOM 0 HH21 ARG A 11 21.150 3.629 3.551 1.00 73.21 H new ATOM 0 HH22 ARG A 11 22.471 4.775 3.300 1.00 73.21 H new ATOM 175 N ASN A 12 17.130 9.515 3.063 1.00 51.34 N ATOM 176 CA ASN A 12 17.630 10.865 2.865 1.00 65.11 C ATOM 177 C ASN A 12 16.950 11.808 3.859 1.00 34.42 C ATOM 178 O ASN A 12 17.470 12.881 4.158 1.00 13.40 O ATOM 179 CB ASN A 12 17.322 11.365 1.452 1.00 4.22 C ATOM 180 CG ASN A 12 18.518 11.151 0.522 1.00 50.31 C ATOM 181 OD1 ASN A 12 19.103 12.084 -0.004 1.00 20.10 O ATOM 182 ND2 ASN A 12 18.847 9.874 0.349 1.00 40.43 N ATOM 0 H ASN A 12 16.678 9.103 2.246 1.00 51.34 H new ATOM 0 HA ASN A 12 18.710 10.849 3.015 1.00 65.11 H new ATOM 0 HB2 ASN A 12 16.452 10.840 1.058 1.00 4.22 H new ATOM 0 HB3 ASN A 12 17.067 12.424 1.485 1.00 4.22 H new ATOM 0 HD21 ASN A 12 19.631 9.627 -0.254 1.00 40.43 H new ATOM 0 HD22 ASN A 12 18.315 9.142 0.820 1.00 40.43 H new ATOM 189 N ASN A 13 15.796 11.372 4.344 1.00 23.32 N ATOM 190 CA ASN A 13 15.039 12.163 5.299 1.00 52.23 C ATOM 191 C ASN A 13 15.464 11.786 6.719 1.00 20.41 C ATOM 192 O ASN A 13 15.188 12.517 7.669 1.00 74.13 O ATOM 193 CB ASN A 13 13.538 11.896 5.168 1.00 41.03 C ATOM 194 CG ASN A 13 12.917 12.775 4.080 1.00 4.33 C ATOM 195 OD1 ASN A 13 11.865 13.369 4.251 1.00 4.12 O ATOM 196 ND2 ASN A 13 13.625 12.825 2.956 1.00 44.34 N ATOM 0 H ASN A 13 15.367 10.481 4.093 1.00 23.32 H new ATOM 0 HA ASN A 13 15.237 13.216 5.097 1.00 52.23 H new ATOM 0 HB2 ASN A 13 13.371 10.845 4.931 1.00 41.03 H new ATOM 0 HB3 ASN A 13 13.046 12.089 6.121 1.00 41.03 H new ATOM 0 HD21 ASN A 13 13.295 13.385 2.170 1.00 44.34 H new ATOM 0 HD22 ASN A 13 14.498 12.303 2.879 1.00 44.34 H new ATOM 203 N TYR A 14 16.129 10.644 6.820 1.00 43.33 N ATOM 204 CA TYR A 14 16.595 10.161 8.108 1.00 24.32 C ATOM 205 C TYR A 14 17.899 10.851 8.514 1.00 42.01 C ATOM 206 O TYR A 14 18.058 11.259 9.663 1.00 22.14 O ATOM 207 CB TYR A 14 16.859 8.665 7.927 1.00 64.33 C ATOM 208 CG TYR A 14 18.320 8.261 8.136 1.00 62.22 C ATOM 209 CD1 TYR A 14 18.922 8.458 9.362 1.00 31.33 C ATOM 210 CD2 TYR A 14 19.036 7.700 7.098 1.00 23.42 C ATOM 211 CE1 TYR A 14 20.297 8.077 9.559 1.00 12.52 C ATOM 212 CE2 TYR A 14 20.411 7.319 7.295 1.00 2.40 C ATOM 213 CZ TYR A 14 20.974 7.527 8.516 1.00 54.12 C ATOM 214 OH TYR A 14 22.272 7.168 8.702 1.00 41.03 O ATOM 0 H TYR A 14 16.356 10.040 6.030 1.00 43.33 H new ATOM 0 HA TYR A 14 15.857 10.365 8.884 1.00 24.32 H new ATOM 0 HB2 TYR A 14 16.235 8.109 8.627 1.00 64.33 H new ATOM 0 HB3 TYR A 14 16.551 8.371 6.923 1.00 64.33 H new ATOM 0 HD1 TYR A 14 18.362 8.898 10.174 1.00 31.33 H new ATOM 0 HD2 TYR A 14 18.565 7.547 6.138 1.00 23.42 H new ATOM 0 HE1 TYR A 14 20.779 8.225 10.514 1.00 12.52 H new ATOM 0 HE2 TYR A 14 20.982 6.878 6.491 1.00 2.40 H new ATOM 0 HH TYR A 14 22.628 6.788 7.872 1.00 41.03 H new ATOM 224 N LYS A 15 18.799 10.961 7.548 1.00 60.34 N ATOM 225 CA LYS A 15 20.084 11.595 7.790 1.00 71.42 C ATOM 226 C LYS A 15 19.857 13.017 8.305 1.00 12.04 C ATOM 227 O LYS A 15 20.753 13.618 8.896 1.00 22.50 O ATOM 228 CB LYS A 15 20.959 11.527 6.537 1.00 43.02 C ATOM 229 CG LYS A 15 20.150 11.865 5.283 1.00 14.34 C ATOM 230 CD LYS A 15 20.957 12.750 4.331 1.00 20.22 C ATOM 231 CE LYS A 15 20.581 14.223 4.500 1.00 3.24 C ATOM 232 NZ LYS A 15 21.771 15.085 4.321 1.00 11.32 N ATOM 0 H LYS A 15 18.664 10.622 6.596 1.00 60.34 H new ATOM 0 HA LYS A 15 20.634 11.059 8.564 1.00 71.42 H new ATOM 0 HB2 LYS A 15 21.793 12.222 6.634 1.00 43.02 H new ATOM 0 HB3 LYS A 15 21.385 10.528 6.441 1.00 43.02 H new ATOM 0 HG2 LYS A 15 19.861 10.946 4.774 1.00 14.34 H new ATOM 0 HG3 LYS A 15 19.229 12.375 5.567 1.00 14.34 H new ATOM 0 HD2 LYS A 15 22.022 12.619 4.522 1.00 20.22 H new ATOM 0 HD3 LYS A 15 20.777 12.441 3.301 1.00 20.22 H new ATOM 0 HE2 LYS A 15 19.815 14.495 3.774 1.00 3.24 H new ATOM 0 HE3 LYS A 15 20.153 14.384 5.490 1.00 3.24 H new ATOM 0 HZ1 LYS A 15 21.499 16.082 4.439 1.00 11.32 H new ATOM 0 HZ2 LYS A 15 22.490 14.836 5.030 1.00 11.32 H new ATOM 0 HZ3 LYS A 15 22.162 14.943 3.368 1.00 11.32 H new ATOM 245 N SER A 16 18.653 13.515 8.063 1.00 21.13 N ATOM 246 CA SER A 16 18.297 14.856 8.496 1.00 72.52 C ATOM 247 C SER A 16 18.090 14.879 10.012 1.00 73.45 C ATOM 248 O SER A 16 18.661 15.717 10.707 1.00 14.30 O ATOM 249 CB SER A 16 17.038 15.349 7.780 1.00 35.54 C ATOM 250 OG SER A 16 16.209 16.130 8.636 1.00 13.34 O ATOM 0 H SER A 16 17.912 13.014 7.573 1.00 21.13 H new ATOM 0 HA SER A 16 19.116 15.528 8.238 1.00 72.52 H new ATOM 0 HB2 SER A 16 17.324 15.943 6.912 1.00 35.54 H new ATOM 0 HB3 SER A 16 16.473 14.494 7.410 1.00 35.54 H new ATOM 0 HG SER A 16 15.417 16.427 8.142 1.00 13.34 H new ATOM 256 N ALA A 17 17.271 13.948 10.479 1.00 62.40 N ATOM 257 CA ALA A 17 16.981 13.850 11.900 1.00 45.55 C ATOM 258 C ALA A 17 18.266 13.503 12.655 1.00 72.31 C ATOM 259 O ALA A 17 18.317 13.605 13.880 1.00 50.24 O ATOM 260 CB ALA A 17 15.875 12.819 12.126 1.00 75.24 C ATOM 0 H ALA A 17 16.799 13.255 9.899 1.00 62.40 H new ATOM 0 HA ALA A 17 16.620 14.804 12.285 1.00 45.55 H new ATOM 0 HB1 ALA A 17 15.658 12.746 13.192 1.00 75.24 H new ATOM 0 HB2 ALA A 17 14.976 13.127 11.593 1.00 75.24 H new ATOM 0 HB3 ALA A 17 16.202 11.848 11.755 1.00 75.24 H new ATOM 266 N VAL A 18 19.271 13.098 11.893 1.00 44.40 N ATOM 267 CA VAL A 18 20.552 12.735 12.475 1.00 22.10 C ATOM 268 C VAL A 18 21.325 14.006 12.832 1.00 52.54 C ATOM 269 O VAL A 18 22.102 14.018 13.785 1.00 63.04 O ATOM 270 CB VAL A 18 21.319 11.817 11.521 1.00 42.23 C ATOM 271 CG1 VAL A 18 22.826 11.898 11.774 1.00 13.34 C ATOM 272 CG2 VAL A 18 20.822 10.374 11.629 1.00 14.52 C ATOM 0 H VAL A 18 19.224 13.013 10.878 1.00 44.40 H new ATOM 0 HA VAL A 18 20.406 12.174 13.398 1.00 22.10 H new ATOM 0 HB VAL A 18 21.131 12.161 10.504 1.00 42.23 H new ATOM 0 HG11 VAL A 18 23.347 11.236 11.083 1.00 13.34 H new ATOM 0 HG12 VAL A 18 23.166 12.922 11.621 1.00 13.34 H new ATOM 0 HG13 VAL A 18 23.040 11.594 12.799 1.00 13.34 H new ATOM 0 HG21 VAL A 18 21.384 9.743 10.940 1.00 14.52 H new ATOM 0 HG22 VAL A 18 20.965 10.015 12.648 1.00 14.52 H new ATOM 0 HG23 VAL A 18 19.763 10.334 11.375 1.00 14.52 H new ATOM 282 N GLY A 19 21.084 15.047 12.047 1.00 33.41 N ATOM 283 CA GLY A 19 21.747 16.320 12.268 1.00 1.31 C ATOM 284 C GLY A 19 21.528 16.811 13.701 1.00 50.54 C ATOM 285 O GLY A 19 22.487 17.045 14.434 1.00 22.12 O ATOM 0 H GLY A 19 20.439 15.034 11.257 1.00 33.41 H new ATOM 0 HA2 GLY A 19 22.815 16.216 12.074 1.00 1.31 H new ATOM 0 HA3 GLY A 19 21.366 17.060 11.564 1.00 1.31 H new ATOM 289 N PRO A 20 20.226 16.958 14.065 1.00 30.52 N ATOM 290 CA PRO A 20 19.869 17.417 15.397 1.00 74.44 C ATOM 291 C PRO A 20 20.070 16.308 16.431 1.00 21.25 C ATOM 292 O PRO A 20 20.280 16.585 17.611 1.00 12.52 O ATOM 293 CB PRO A 20 18.421 17.867 15.282 1.00 23.33 C ATOM 294 CG PRO A 20 17.881 17.215 14.020 1.00 53.22 C ATOM 295 CD PRO A 20 19.064 16.690 13.223 1.00 52.52 C ATOM 0 HA PRO A 20 20.500 18.235 15.744 1.00 74.44 H new ATOM 0 HB2 PRO A 20 17.846 17.561 16.156 1.00 23.33 H new ATOM 0 HB3 PRO A 20 18.353 18.953 15.220 1.00 23.33 H new ATOM 0 HG2 PRO A 20 17.200 16.402 14.272 1.00 53.22 H new ATOM 0 HG3 PRO A 20 17.314 17.936 13.431 1.00 53.22 H new ATOM 0 HD2 PRO A 20 18.961 15.625 13.017 1.00 52.52 H new ATOM 0 HD3 PRO A 20 19.148 17.194 12.260 1.00 52.52 H new ATOM 303 N ALA A 21 19.999 15.075 15.952 1.00 64.22 N ATOM 304 CA ALA A 21 20.172 13.923 16.821 1.00 74.24 C ATOM 305 C ALA A 21 21.486 14.063 17.592 1.00 74.13 C ATOM 306 O ALA A 21 21.639 13.495 18.672 1.00 41.10 O ATOM 307 CB ALA A 21 20.119 12.641 15.986 1.00 0.51 C ATOM 0 H ALA A 21 19.824 14.848 14.973 1.00 64.22 H new ATOM 0 HA ALA A 21 19.365 13.870 17.552 1.00 74.24 H new ATOM 0 HB1 ALA A 21 20.249 11.777 16.638 1.00 0.51 H new ATOM 0 HB2 ALA A 21 19.155 12.574 15.483 1.00 0.51 H new ATOM 0 HB3 ALA A 21 20.916 12.658 15.243 1.00 0.51 H new ATOM 313 N ASP A 22 22.400 14.822 17.006 1.00 1.24 N ATOM 314 CA ASP A 22 23.696 15.044 17.625 1.00 41.01 C ATOM 315 C ASP A 22 23.525 15.948 18.847 1.00 11.31 C ATOM 316 O ASP A 22 24.236 15.798 19.840 1.00 74.43 O ATOM 317 CB ASP A 22 24.658 15.735 16.656 1.00 15.43 C ATOM 318 CG ASP A 22 26.106 15.248 16.725 1.00 62.12 C ATOM 319 OD1 ASP A 22 26.889 15.689 17.580 1.00 74.03 O ATOM 320 OD2 ASP A 22 26.427 14.365 15.840 1.00 12.34 O ATOM 0 H ASP A 22 22.269 15.291 16.110 1.00 1.24 H new ATOM 0 HA ASP A 22 24.105 14.074 17.909 1.00 41.01 H new ATOM 0 HB2 ASP A 22 24.291 15.592 15.640 1.00 15.43 H new ATOM 0 HB3 ASP A 22 24.641 16.807 16.854 1.00 15.43 H new ATOM 326 N TRP A 23 22.578 16.868 18.735 1.00 51.11 N ATOM 327 CA TRP A 23 22.304 17.797 19.818 1.00 22.35 C ATOM 328 C TRP A 23 21.610 17.022 20.941 1.00 41.42 C ATOM 329 O TRP A 23 22.028 17.088 22.096 1.00 51.32 O ATOM 330 CB TRP A 23 21.488 18.992 19.323 1.00 32.12 C ATOM 331 CG TRP A 23 19.974 18.775 19.373 1.00 60.14 C ATOM 332 CD1 TRP A 23 19.117 18.704 18.345 1.00 13.11 C ATOM 333 CD2 TRP A 23 19.168 18.602 20.558 1.00 44.25 C ATOM 334 NE1 TRP A 23 17.823 18.499 18.779 1.00 12.22 N ATOM 335 CE2 TRP A 23 17.855 18.435 20.167 1.00 4.23 C ATOM 336 CE3 TRP A 23 19.537 18.587 21.914 1.00 2.32 C ATOM 337 CZ2 TRP A 23 16.805 18.242 21.073 1.00 62.42 C ATOM 338 CZ3 TRP A 23 18.476 18.393 22.807 1.00 70.14 C ATOM 339 CH2 TRP A 23 17.149 18.223 22.430 1.00 51.42 C ATOM 0 H TRP A 23 21.991 16.990 17.910 1.00 51.11 H new ATOM 0 HA TRP A 23 23.230 18.220 20.207 1.00 22.35 H new ATOM 0 HB2 TRP A 23 21.740 19.865 19.925 1.00 32.12 H new ATOM 0 HB3 TRP A 23 21.779 19.218 18.297 1.00 32.12 H new ATOM 0 HD1 TRP A 23 19.403 18.796 17.308 1.00 13.11 H new ATOM 0 HE1 TRP A 23 16.995 18.411 18.189 1.00 12.22 H new ATOM 0 HE3 TRP A 23 20.558 18.715 22.241 1.00 2.32 H new ATOM 0 HZ2 TRP A 23 15.785 18.115 20.743 1.00 62.42 H new ATOM 0 HZ3 TRP A 23 18.705 18.374 23.862 1.00 70.14 H new ATOM 0 HH2 TRP A 23 16.386 18.077 23.181 1.00 51.42 H new ATOM 350 N VAL A 24 20.562 16.306 20.562 1.00 52.33 N ATOM 351 CA VAL A 24 19.806 15.520 21.522 1.00 53.23 C ATOM 352 C VAL A 24 20.747 14.544 22.230 1.00 45.23 C ATOM 353 O VAL A 24 20.779 14.486 23.458 1.00 55.41 O ATOM 354 CB VAL A 24 18.637 14.823 20.822 1.00 22.43 C ATOM 355 CG1 VAL A 24 18.865 13.311 20.750 1.00 50.51 C ATOM 356 CG2 VAL A 24 17.312 15.145 21.516 1.00 71.05 C ATOM 0 H VAL A 24 20.218 16.254 19.603 1.00 52.33 H new ATOM 0 HA VAL A 24 19.372 16.165 22.286 1.00 53.23 H new ATOM 0 HB VAL A 24 18.582 15.203 19.802 1.00 22.43 H new ATOM 0 HG11 VAL A 24 18.020 12.839 20.248 1.00 50.51 H new ATOM 0 HG12 VAL A 24 19.779 13.107 20.192 1.00 50.51 H new ATOM 0 HG13 VAL A 24 18.959 12.909 21.759 1.00 50.51 H new ATOM 0 HG21 VAL A 24 16.498 14.637 20.999 1.00 71.05 H new ATOM 0 HG22 VAL A 24 17.352 14.806 22.551 1.00 71.05 H new ATOM 0 HG23 VAL A 24 17.141 16.221 21.493 1.00 71.05 H new ATOM 366 N ILE A 25 21.492 13.801 21.424 1.00 4.24 N ATOM 367 CA ILE A 25 22.433 12.831 21.958 1.00 34.54 C ATOM 368 C ILE A 25 23.529 13.563 22.734 1.00 25.31 C ATOM 369 O ILE A 25 24.044 13.046 23.725 1.00 44.34 O ATOM 370 CB ILE A 25 22.965 11.930 20.842 1.00 43.32 C ATOM 371 CG1 ILE A 25 23.162 10.497 21.340 1.00 72.02 C ATOM 372 CG2 ILE A 25 24.247 12.507 20.236 1.00 15.45 C ATOM 373 CD1 ILE A 25 21.993 9.605 20.917 1.00 31.34 C ATOM 0 H ILE A 25 21.463 13.851 20.406 1.00 4.24 H new ATOM 0 HA ILE A 25 21.935 12.165 22.663 1.00 34.54 H new ATOM 0 HB ILE A 25 22.220 11.895 20.047 1.00 43.32 H new ATOM 0 HG12 ILE A 25 24.094 10.095 20.942 1.00 72.02 H new ATOM 0 HG13 ILE A 25 23.252 10.495 22.426 1.00 72.02 H new ATOM 0 HG21 ILE A 25 24.604 11.848 19.445 1.00 15.45 H new ATOM 0 HG22 ILE A 25 24.041 13.493 19.820 1.00 15.45 H new ATOM 0 HG23 ILE A 25 25.010 12.591 21.010 1.00 15.45 H new ATOM 0 HD11 ILE A 25 22.157 8.592 21.283 1.00 31.34 H new ATOM 0 HD12 ILE A 25 21.066 9.997 21.336 1.00 31.34 H new ATOM 0 HD13 ILE A 25 21.921 9.590 19.829 1.00 31.34 H new ATOM 385 N SER A 26 23.854 14.754 22.254 1.00 5.13 N ATOM 386 CA SER A 26 24.881 15.563 22.890 1.00 32.54 C ATOM 387 C SER A 26 24.403 16.026 24.268 1.00 53.32 C ATOM 388 O SER A 26 25.190 16.101 25.210 1.00 63.24 O ATOM 389 CB SER A 26 25.249 16.768 22.023 1.00 70.33 C ATOM 390 OG SER A 26 25.925 17.776 22.769 1.00 64.11 O ATOM 0 H SER A 26 23.425 15.179 21.432 1.00 5.13 H new ATOM 0 HA SER A 26 25.774 14.950 23.009 1.00 32.54 H new ATOM 0 HB2 SER A 26 25.882 16.441 21.198 1.00 70.33 H new ATOM 0 HB3 SER A 26 24.344 17.188 21.583 1.00 70.33 H new ATOM 0 HG SER A 26 26.144 18.528 22.180 1.00 64.11 H new ATOM 396 N ALA A 27 23.114 16.326 24.341 1.00 2.14 N ATOM 397 CA ALA A 27 22.522 16.781 25.588 1.00 73.31 C ATOM 398 C ALA A 27 22.462 15.613 26.575 1.00 41.12 C ATOM 399 O ALA A 27 22.573 15.811 27.784 1.00 51.23 O ATOM 400 CB ALA A 27 21.142 17.379 25.309 1.00 54.22 C ATOM 0 H ALA A 27 22.464 16.263 23.558 1.00 2.14 H new ATOM 0 HA ALA A 27 23.132 17.564 26.039 1.00 73.31 H new ATOM 0 HB1 ALA A 27 20.698 17.720 26.244 1.00 54.22 H new ATOM 0 HB2 ALA A 27 21.242 18.222 24.626 1.00 54.22 H new ATOM 0 HB3 ALA A 27 20.501 16.621 24.858 1.00 54.22 H new ATOM 406 N VAL A 28 22.287 14.422 26.023 1.00 63.54 N ATOM 407 CA VAL A 28 22.212 13.222 26.839 1.00 13.02 C ATOM 408 C VAL A 28 23.585 12.939 27.451 1.00 43.22 C ATOM 409 O VAL A 28 23.707 12.773 28.664 1.00 54.34 O ATOM 410 CB VAL A 28 21.676 12.055 26.007 1.00 41.21 C ATOM 411 CG1 VAL A 28 21.671 10.759 26.819 1.00 24.15 C ATOM 412 CG2 VAL A 28 20.281 12.366 25.462 1.00 72.25 C ATOM 0 H VAL A 28 22.195 14.262 25.020 1.00 63.54 H new ATOM 0 HA VAL A 28 21.512 13.364 27.663 1.00 13.02 H new ATOM 0 HB VAL A 28 22.344 11.915 25.157 1.00 41.21 H new ATOM 0 HG11 VAL A 28 21.285 9.946 26.204 1.00 24.15 H new ATOM 0 HG12 VAL A 28 22.687 10.524 27.136 1.00 24.15 H new ATOM 0 HG13 VAL A 28 21.037 10.882 27.697 1.00 24.15 H new ATOM 0 HG21 VAL A 28 19.923 11.521 24.874 1.00 72.25 H new ATOM 0 HG22 VAL A 28 19.598 12.546 26.292 1.00 72.25 H new ATOM 0 HG23 VAL A 28 20.327 13.253 24.831 1.00 72.25 H new ATOM 422 N ARG A 29 24.586 12.893 26.583 1.00 34.13 N ATOM 423 CA ARG A 29 25.946 12.633 27.023 1.00 40.11 C ATOM 424 C ARG A 29 26.496 13.838 27.789 1.00 52.24 C ATOM 425 O ARG A 29 27.376 13.691 28.635 1.00 1.40 O ATOM 426 CB ARG A 29 26.861 12.332 25.834 1.00 11.21 C ATOM 427 CG ARG A 29 26.892 13.508 24.855 1.00 22.41 C ATOM 428 CD ARG A 29 27.090 13.020 23.419 1.00 62.44 C ATOM 429 NE ARG A 29 27.752 11.696 23.421 1.00 74.45 N ATOM 430 CZ ARG A 29 29.090 11.518 23.410 1.00 52.12 C ATOM 431 NH1 ARG A 29 29.922 12.581 23.396 1.00 11.13 N ATOM 432 NH2 ARG A 29 29.573 10.290 23.413 1.00 75.53 N ATOM 0 H ARG A 29 24.482 13.031 25.578 1.00 34.13 H new ATOM 0 HA ARG A 29 25.922 11.762 27.678 1.00 40.11 H new ATOM 0 HB2 ARG A 29 27.870 12.124 26.190 1.00 11.21 H new ATOM 0 HB3 ARG A 29 26.513 11.436 25.321 1.00 11.21 H new ATOM 0 HG2 ARG A 29 25.961 14.070 24.927 1.00 22.41 H new ATOM 0 HG3 ARG A 29 27.698 14.190 25.126 1.00 22.41 H new ATOM 0 HD2 ARG A 29 26.127 12.953 22.913 1.00 62.44 H new ATOM 0 HD3 ARG A 29 27.694 13.737 22.863 1.00 62.44 H new ATOM 0 HE ARG A 29 27.160 10.866 23.431 1.00 74.45 H new ATOM 0 HH11 ARG A 29 29.541 13.527 23.394 1.00 11.13 H new ATOM 0 HH12 ARG A 29 30.932 12.438 23.388 1.00 11.13 H new ATOM 0 HH21 ARG A 29 28.938 9.492 23.423 1.00 75.53 H new ATOM 0 HH22 ARG A 29 30.582 10.139 23.405 1.00 75.53 H new ATOM 445 N GLY A 30 25.954 15.003 27.464 1.00 73.31 N ATOM 446 CA GLY A 30 26.379 16.232 28.111 1.00 40.54 C ATOM 447 C GLY A 30 25.863 16.302 29.549 1.00 11.33 C ATOM 448 O GLY A 30 26.551 16.806 30.436 1.00 51.55 O ATOM 0 H GLY A 30 25.224 15.121 26.761 1.00 73.31 H new ATOM 0 HA2 GLY A 30 27.467 16.291 28.108 1.00 40.54 H new ATOM 0 HA3 GLY A 30 26.012 17.090 27.547 1.00 40.54 H new ATOM 452 N PHE A 31 24.656 15.789 29.737 1.00 61.23 N ATOM 453 CA PHE A 31 24.040 15.786 31.053 1.00 52.53 C ATOM 454 C PHE A 31 24.598 14.655 31.918 1.00 63.33 C ATOM 455 O PHE A 31 24.628 14.762 33.143 1.00 63.23 O ATOM 456 CB PHE A 31 22.541 15.561 30.844 1.00 0.12 C ATOM 457 CG PHE A 31 21.901 14.637 31.882 1.00 55.10 C ATOM 458 CD1 PHE A 31 21.449 15.146 33.060 1.00 43.35 C ATOM 459 CD2 PHE A 31 21.782 13.306 31.627 1.00 43.42 C ATOM 460 CE1 PHE A 31 20.855 14.289 34.023 1.00 73.34 C ATOM 461 CE2 PHE A 31 21.188 12.449 32.590 1.00 71.12 C ATOM 462 CZ PHE A 31 20.737 12.958 33.767 1.00 14.14 C ATOM 0 H PHE A 31 24.088 15.372 28.999 1.00 61.23 H new ATOM 0 HA PHE A 31 24.243 16.729 31.561 1.00 52.53 H new ATOM 0 HB2 PHE A 31 22.032 16.525 30.868 1.00 0.12 H new ATOM 0 HB3 PHE A 31 22.382 15.141 29.851 1.00 0.12 H new ATOM 0 HD1 PHE A 31 21.542 16.203 33.262 1.00 43.35 H new ATOM 0 HD2 PHE A 31 22.140 12.901 30.692 1.00 43.42 H new ATOM 0 HE1 PHE A 31 20.497 14.693 34.958 1.00 73.34 H new ATOM 0 HE2 PHE A 31 21.094 11.392 32.388 1.00 71.12 H new ATOM 0 HZ PHE A 31 20.285 12.306 34.499 1.00 14.14 H new ATOM 472 N ILE A 32 25.027 13.596 31.246 1.00 11.02 N ATOM 473 CA ILE A 32 25.583 12.446 31.938 1.00 33.42 C ATOM 474 C ILE A 32 26.762 12.896 32.803 1.00 52.54 C ATOM 475 O ILE A 32 26.911 12.448 33.938 1.00 31.02 O ATOM 476 CB ILE A 32 25.938 11.341 30.941 1.00 21.21 C ATOM 477 CG1 ILE A 32 25.553 9.964 31.487 1.00 11.54 C ATOM 478 CG2 ILE A 32 27.416 11.410 30.550 1.00 32.54 C ATOM 479 CD1 ILE A 32 24.993 9.072 30.378 1.00 33.45 C ATOM 0 H ILE A 32 25.001 13.511 30.230 1.00 11.02 H new ATOM 0 HA ILE A 32 24.843 12.012 32.610 1.00 33.42 H new ATOM 0 HB ILE A 32 25.356 11.501 30.033 1.00 21.21 H new ATOM 0 HG12 ILE A 32 26.426 9.489 31.935 1.00 11.54 H new ATOM 0 HG13 ILE A 32 24.811 10.077 32.278 1.00 11.54 H new ATOM 0 HG21 ILE A 32 27.642 10.614 29.841 1.00 32.54 H new ATOM 0 HG22 ILE A 32 27.626 12.376 30.091 1.00 32.54 H new ATOM 0 HG23 ILE A 32 28.034 11.289 31.440 1.00 32.54 H new ATOM 0 HD11 ILE A 32 24.727 8.100 30.793 1.00 33.45 H new ATOM 0 HD12 ILE A 32 24.106 9.538 29.949 1.00 33.45 H new ATOM 0 HD13 ILE A 32 25.746 8.942 29.601 1.00 33.45 H new ATOM 491 N HIS A 33 27.570 13.778 32.232 1.00 54.11 N ATOM 492 CA HIS A 33 28.731 14.295 32.936 1.00 31.41 C ATOM 493 C HIS A 33 28.302 15.426 33.872 1.00 0.31 C ATOM 494 O HIS A 33 29.062 15.833 34.749 1.00 3.22 O ATOM 495 CB HIS A 33 29.819 14.722 31.949 1.00 21.30 C ATOM 496 CG HIS A 33 29.467 15.947 31.140 1.00 45.31 C ATOM 497 ND1 HIS A 33 29.590 17.234 31.636 1.00 74.41 N ATOM 498 CD2 HIS A 33 28.998 16.069 29.865 1.00 14.12 C ATOM 499 CE1 HIS A 33 29.207 18.083 30.694 1.00 12.11 C ATOM 500 NE2 HIS A 33 28.840 17.359 29.598 1.00 52.54 N ATOM 0 H HIS A 33 27.443 14.147 31.290 1.00 54.11 H new ATOM 0 HA HIS A 33 29.168 13.508 33.551 1.00 31.41 H new ATOM 0 HB2 HIS A 33 30.740 14.915 32.500 1.00 21.30 H new ATOM 0 HB3 HIS A 33 30.022 13.895 31.268 1.00 21.30 H new ATOM 0 HD1 HIS A 33 29.919 17.485 32.568 1.00 74.41 H new ATOM 0 HD2 HIS A 33 28.790 15.254 29.188 1.00 14.12 H new ATOM 0 HE1 HIS A 33 29.189 19.159 30.779 1.00 12.11 H new ATOM 508 N GLY A 34 27.085 15.903 33.654 1.00 62.35 N ATOM 509 CA GLY A 34 26.546 16.979 34.467 1.00 52.55 C ATOM 510 C GLY A 34 26.595 16.621 35.953 1.00 10.53 C ATOM 511 O GLY A 34 27.355 17.218 36.714 1.00 2.12 O ATOM 0 H GLY A 34 26.457 15.563 32.925 1.00 62.35 H new ATOM 0 HA2 GLY A 34 27.114 17.892 34.290 1.00 52.55 H new ATOM 0 HA3 GLY A 34 25.516 17.182 34.172 1.00 52.55 H new TER 515 GLY A 34