USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 150 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 ALA N :NH3+ -162:sc= 1.02 (180deg=0.594) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 23 SER OG : rot -97:sc= 0.92 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.159 4.133 -0.758 1.00 0.00 N ATOM 2 CA ALA A 1 -9.510 4.059 -1.349 1.00 0.00 C ATOM 3 C ALA A 1 -10.281 2.908 -0.692 1.00 0.00 C ATOM 4 O ALA A 1 -10.139 2.756 0.517 1.00 0.00 O ATOM 5 CB ALA A 1 -9.459 4.002 -2.883 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.743 5.065 -0.958 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.222 3.996 0.271 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.559 3.390 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.063 4.974 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.473 3.948 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.968 4.897 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.900 3.120 -3.196 1.00 0.00 H new ATOM 13 N VAL A 2 -11.085 2.134 -1.440 1.00 0.00 N ATOM 14 CA VAL A 2 -12.123 1.254 -0.889 1.00 0.00 C ATOM 15 C VAL A 2 -11.905 -0.240 -1.173 1.00 0.00 C ATOM 16 O VAL A 2 -11.902 -1.034 -0.238 1.00 0.00 O ATOM 17 CB VAL A 2 -13.525 1.717 -1.352 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.039 2.846 -0.447 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.601 2.192 -2.817 1.00 0.00 C ATOM 0 H VAL A 2 -11.029 2.103 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.051 1.347 0.195 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.150 0.827 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.026 3.162 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.104 2.488 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.352 3.691 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.622 2.496 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.929 3.038 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.306 1.378 -3.479 1.00 0.00 H new ATOM 29 N GLY A 3 -11.809 -0.644 -2.444 1.00 0.00 N ATOM 30 CA GLY A 3 -11.504 -2.004 -2.854 1.00 0.00 C ATOM 31 C GLY A 3 -10.000 -2.236 -2.839 1.00 0.00 C ATOM 32 O GLY A 3 -9.331 -2.139 -1.816 1.00 0.00 O ATOM 0 H GLY A 3 -11.946 -0.011 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.994 -2.711 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.897 -2.186 -3.854 1.00 0.00 H new ATOM 36 N ILE A 4 -9.451 -2.447 -4.035 1.00 0.00 N ATOM 37 CA ILE A 4 -8.025 -2.721 -4.248 1.00 0.00 C ATOM 38 C ILE A 4 -7.180 -1.552 -3.711 1.00 0.00 C ATOM 39 O ILE A 4 -6.119 -1.739 -3.120 1.00 0.00 O ATOM 40 CB ILE A 4 -7.761 -2.997 -5.749 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.654 -4.114 -6.344 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.281 -3.320 -6.009 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.556 -5.481 -5.650 1.00 0.00 C ATOM 0 H ILE A 4 -9.992 -2.433 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.732 -3.614 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.026 -2.072 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.692 -3.782 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.395 -4.241 -7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.131 -3.508 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.665 -2.476 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.996 -4.205 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.221 -6.189 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.530 -5.845 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.847 -5.380 -4.605 1.00 0.00 H new ATOM 55 N GLY A 5 -7.686 -0.332 -3.881 1.00 0.00 N ATOM 56 CA GLY A 5 -7.076 0.895 -3.407 1.00 0.00 C ATOM 57 C GLY A 5 -7.143 1.072 -1.891 1.00 0.00 C ATOM 58 O GLY A 5 -6.475 1.964 -1.375 1.00 0.00 O ATOM 0 H GLY A 5 -8.566 -0.172 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.032 0.915 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.568 1.742 -3.884 1.00 0.00 H new ATOM 62 N ALA A 6 -7.984 0.323 -1.163 1.00 0.00 N ATOM 63 CA ALA A 6 -7.811 0.169 0.278 1.00 0.00 C ATOM 64 C ALA A 6 -6.558 -0.656 0.563 1.00 0.00 C ATOM 65 O ALA A 6 -5.775 -0.288 1.431 1.00 0.00 O ATOM 66 CB ALA A 6 -9.049 -0.452 0.926 1.00 0.00 C ATOM 0 H ALA A 6 -8.783 -0.180 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.685 1.157 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.886 -0.553 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.913 0.189 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.232 -1.436 0.493 1.00 0.00 H new ATOM 72 N LEU A 7 -6.342 -1.752 -0.179 1.00 0.00 N ATOM 73 CA LEU A 7 -5.209 -2.654 0.026 1.00 0.00 C ATOM 74 C LEU A 7 -3.909 -1.911 -0.229 1.00 0.00 C ATOM 75 O LEU A 7 -2.924 -2.143 0.457 1.00 0.00 O ATOM 76 CB LEU A 7 -5.252 -3.892 -0.895 1.00 0.00 C ATOM 77 CG LEU A 7 -6.647 -4.470 -1.137 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.572 -5.634 -2.133 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.327 -4.946 0.154 1.00 0.00 C ATOM 0 H LEU A 7 -6.956 -2.036 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.270 -3.000 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.814 -3.626 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.623 -4.670 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.253 -3.662 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.571 -6.037 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.164 -5.278 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.927 -6.415 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.313 -5.346 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.721 -5.724 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.430 -4.107 0.842 1.00 0.00 H new ATOM 91 N PHE A 8 -3.919 -1.005 -1.200 1.00 0.00 N ATOM 92 CA PHE A 8 -2.733 -0.247 -1.589 1.00 0.00 C ATOM 93 C PHE A 8 -2.180 0.570 -0.424 1.00 0.00 C ATOM 94 O PHE A 8 -0.994 0.490 -0.110 1.00 0.00 O ATOM 95 CB PHE A 8 -3.139 0.753 -2.670 1.00 0.00 C ATOM 96 CG PHE A 8 -3.228 0.263 -4.109 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.141 -1.104 -4.450 1.00 0.00 C ATOM 98 CD2 PHE A 8 -3.370 1.219 -5.134 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.176 -1.502 -5.797 1.00 0.00 C ATOM 100 CE2 PHE A 8 -3.423 0.817 -6.480 1.00 0.00 C ATOM 101 CZ PHE A 8 -3.323 -0.544 -6.814 1.00 0.00 C ATOM 0 H PHE A 8 -4.752 -0.774 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.977 -0.955 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.112 1.161 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.428 1.579 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.047 -1.847 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.439 2.267 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.090 -2.548 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.541 1.556 -7.259 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.359 -0.852 -7.848 1.00 0.00 H new ATOM 111 N LEU A 9 -3.063 1.321 0.236 1.00 0.00 N ATOM 112 CA LEU A 9 -2.654 2.152 1.370 1.00 0.00 C ATOM 113 C LEU A 9 -2.615 1.348 2.666 1.00 0.00 C ATOM 114 O LEU A 9 -1.969 1.740 3.634 1.00 0.00 O ATOM 115 CB LEU A 9 -3.504 3.431 1.451 1.00 0.00 C ATOM 116 CG LEU A 9 -5.026 3.332 1.694 1.00 0.00 C ATOM 117 CD1 LEU A 9 -5.435 2.978 3.131 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.645 4.702 1.369 1.00 0.00 C ATOM 0 H LEU A 9 -4.056 1.371 0.008 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.629 2.486 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.088 4.047 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.359 3.976 0.518 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.381 2.521 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.522 2.932 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.014 2.010 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.060 3.740 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.722 4.662 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.208 5.462 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.444 4.954 0.328 1.00 0.00 H new ATOM 130 N GLY A 10 -3.336 0.229 2.664 1.00 0.00 N ATOM 131 CA GLY A 10 -3.649 -0.552 3.852 1.00 0.00 C ATOM 132 C GLY A 10 -2.770 -1.783 3.964 1.00 0.00 C ATOM 133 O GLY A 10 -1.839 -1.826 4.760 1.00 0.00 O ATOM 0 H GLY A 10 -3.728 -0.168 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.521 0.068 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.696 -0.854 3.823 1.00 0.00 H new ATOM 137 N PHE A 11 -3.094 -2.799 3.168 1.00 0.00 N ATOM 138 CA PHE A 11 -2.469 -4.114 3.172 1.00 0.00 C ATOM 139 C PHE A 11 -0.992 -4.025 2.754 1.00 0.00 C ATOM 140 O PHE A 11 -0.107 -4.514 3.455 1.00 0.00 O ATOM 141 CB PHE A 11 -3.286 -4.981 2.195 1.00 0.00 C ATOM 142 CG PHE A 11 -2.912 -6.448 2.185 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.550 -7.347 3.062 1.00 0.00 C ATOM 144 CD2 PHE A 11 -1.932 -6.922 1.291 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.212 -8.712 3.043 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.594 -8.287 1.274 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.234 -9.182 2.149 1.00 0.00 C ATOM 0 H PHE A 11 -3.835 -2.722 2.471 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.470 -4.552 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.343 -4.891 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.164 -4.582 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.300 -6.987 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.439 -6.236 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.704 -9.399 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.842 -8.648 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.974 -10.230 2.134 1.00 0.00 H new ATOM 157 N LEU A 12 -0.727 -3.333 1.641 1.00 0.00 N ATOM 158 CA LEU A 12 0.600 -3.025 1.123 1.00 0.00 C ATOM 159 C LEU A 12 1.295 -2.025 2.047 1.00 0.00 C ATOM 160 O LEU A 12 2.458 -2.227 2.382 1.00 0.00 O ATOM 161 CB LEU A 12 0.455 -2.511 -0.324 1.00 0.00 C ATOM 162 CG LEU A 12 1.629 -1.666 -0.860 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.922 -2.482 -0.960 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.286 -1.115 -2.250 1.00 0.00 C ATOM 0 H LEU A 12 -1.471 -2.957 1.053 1.00 0.00 H new ATOM 0 HA LEU A 12 1.230 -3.914 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.320 -3.369 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.455 -1.915 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 12 1.788 -0.851 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.723 -1.849 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.194 -2.856 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.770 -3.323 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.120 -0.520 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.099 -1.943 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.395 -0.490 -2.184 1.00 0.00 H new ATOM 176 N GLY A 13 0.589 -0.982 2.498 1.00 0.00 N ATOM 177 CA GLY A 13 1.196 0.077 3.296 1.00 0.00 C ATOM 178 C GLY A 13 1.610 -0.420 4.684 1.00 0.00 C ATOM 179 O GLY A 13 2.680 -0.045 5.161 1.00 0.00 O ATOM 0 H GLY A 13 -0.407 -0.853 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.070 0.469 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.491 0.902 3.401 1.00 0.00 H new ATOM 183 N ALA A 14 0.841 -1.327 5.301 1.00 0.00 N ATOM 184 CA ALA A 14 1.238 -2.013 6.528 1.00 0.00 C ATOM 185 C ALA A 14 2.512 -2.833 6.308 1.00 0.00 C ATOM 186 O ALA A 14 3.402 -2.815 7.155 1.00 0.00 O ATOM 187 CB ALA A 14 0.098 -2.912 7.018 1.00 0.00 C ATOM 0 H ALA A 14 -0.079 -1.604 4.957 1.00 0.00 H new ATOM 0 HA ALA A 14 1.449 -1.263 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.403 -3.420 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.785 -2.304 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.136 -3.652 6.253 1.00 0.00 H new ATOM 193 N ALA A 15 2.629 -3.511 5.157 1.00 0.00 N ATOM 194 CA ALA A 15 3.851 -4.196 4.744 1.00 0.00 C ATOM 195 C ALA A 15 4.914 -3.270 4.154 1.00 0.00 C ATOM 196 O ALA A 15 5.903 -3.746 3.594 1.00 0.00 O ATOM 197 CB ALA A 15 3.526 -5.319 3.766 1.00 0.00 C ATOM 0 H ALA A 15 1.867 -3.597 4.484 1.00 0.00 H new ATOM 0 HA ALA A 15 4.284 -4.609 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.447 -5.820 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.861 -6.038 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.037 -4.904 2.885 1.00 0.00 H new ATOM 203 N GLY A 16 4.779 -1.958 4.344 1.00 0.00 N ATOM 204 CA GLY A 16 5.674 -0.936 3.816 1.00 0.00 C ATOM 205 C GLY A 16 6.996 -0.882 4.584 1.00 0.00 C ATOM 206 O GLY A 16 7.639 0.164 4.639 1.00 0.00 O ATOM 0 H GLY A 16 4.013 -1.566 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.874 -1.137 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.185 0.037 3.867 1.00 0.00 H new ATOM 210 N SER A 17 7.376 -1.999 5.214 1.00 0.00 N ATOM 211 CA SER A 17 8.629 -2.164 5.933 1.00 0.00 C ATOM 212 C SER A 17 9.789 -2.280 4.941 1.00 0.00 C ATOM 213 O SER A 17 10.822 -1.641 5.125 1.00 0.00 O ATOM 214 CB SER A 17 8.551 -3.415 6.819 1.00 0.00 C ATOM 215 OG SER A 17 7.304 -3.505 7.485 1.00 0.00 O ATOM 0 H SER A 17 6.795 -2.837 5.234 1.00 0.00 H new ATOM 0 HA SER A 17 8.802 -1.294 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.703 -4.305 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.356 -3.392 7.554 1.00 0.00 H new ATOM 0 HG SER A 17 7.287 -4.313 8.039 1.00 0.00 H new ATOM 221 N THR A 18 9.634 -3.130 3.918 1.00 0.00 N ATOM 222 CA THR A 18 10.580 -3.291 2.824 1.00 0.00 C ATOM 223 C THR A 18 10.215 -2.332 1.685 1.00 0.00 C ATOM 224 O THR A 18 10.856 -1.300 1.504 1.00 0.00 O ATOM 225 CB THR A 18 10.618 -4.773 2.396 1.00 0.00 C ATOM 226 OG1 THR A 18 9.303 -5.263 2.189 1.00 0.00 O ATOM 227 CG2 THR A 18 11.294 -5.645 3.461 1.00 0.00 C ATOM 0 H THR A 18 8.820 -3.739 3.833 1.00 0.00 H new ATOM 0 HA THR A 18 11.590 -3.029 3.138 1.00 0.00 H new ATOM 0 HB THR A 18 11.191 -4.825 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.343 -6.203 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.304 -6.683 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.317 -5.303 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.741 -5.570 4.397 1.00 0.00 H new ATOM 235 N VAL A 19 9.210 -2.714 0.889 1.00 0.00 N ATOM 236 CA VAL A 19 8.589 -1.928 -0.170 1.00 0.00 C ATOM 237 C VAL A 19 8.323 -0.477 0.255 1.00 0.00 C ATOM 238 O VAL A 19 7.537 -0.216 1.165 1.00 0.00 O ATOM 239 CB VAL A 19 7.355 -2.643 -0.758 1.00 0.00 C ATOM 240 CG1 VAL A 19 7.787 -3.900 -1.531 1.00 0.00 C ATOM 241 CG2 VAL A 19 6.293 -3.049 0.277 1.00 0.00 C ATOM 0 H VAL A 19 8.786 -3.638 0.977 1.00 0.00 H new ATOM 0 HA VAL A 19 9.307 -1.852 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 19 6.891 -1.907 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.907 -4.395 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.455 -3.616 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.306 -4.581 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.464 -3.544 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.735 -3.731 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.926 -2.160 0.790 1.00 0.00 H new ATOM 251 N GLY A 20 8.959 0.474 -0.434 1.00 0.00 N ATOM 252 CA GLY A 20 8.760 1.898 -0.220 1.00 0.00 C ATOM 253 C GLY A 20 7.419 2.321 -0.812 1.00 0.00 C ATOM 254 O GLY A 20 7.363 2.700 -1.982 1.00 0.00 O ATOM 0 H GLY A 20 9.637 0.266 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.786 2.123 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.569 2.462 -0.684 1.00 0.00 H new ATOM 258 N ALA A 21 6.343 2.224 -0.022 1.00 0.00 N ATOM 259 CA ALA A 21 4.962 2.534 -0.394 1.00 0.00 C ATOM 260 C ALA A 21 4.732 4.044 -0.628 1.00 0.00 C ATOM 261 O ALA A 21 3.895 4.670 0.020 1.00 0.00 O ATOM 262 CB ALA A 21 4.027 1.958 0.680 1.00 0.00 C ATOM 0 H ALA A 21 6.419 1.910 0.945 1.00 0.00 H new ATOM 0 HA ALA A 21 4.739 2.067 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.992 2.180 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.163 0.878 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.262 2.407 1.645 1.00 0.00 H new ATOM 268 N ALA A 22 5.445 4.620 -1.603 1.00 0.00 N ATOM 269 CA ALA A 22 5.543 6.054 -1.872 1.00 0.00 C ATOM 270 C ALA A 22 4.195 6.699 -2.219 1.00 0.00 C ATOM 271 O ALA A 22 4.022 7.893 -1.993 1.00 0.00 O ATOM 272 CB ALA A 22 6.550 6.286 -3.003 1.00 0.00 C ATOM 0 H ALA A 22 5.997 4.067 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 22 5.882 6.535 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.627 7.354 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.526 5.902 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.214 5.767 -3.901 1.00 0.00 H new ATOM 278 N SER A 23 3.266 5.923 -2.791 1.00 0.00 N ATOM 279 CA SER A 23 1.902 6.345 -3.094 1.00 0.00 C ATOM 280 C SER A 23 1.184 6.881 -1.849 1.00 0.00 C ATOM 281 O SER A 23 0.516 7.913 -1.927 1.00 0.00 O ATOM 282 CB SER A 23 1.158 5.119 -3.662 1.00 0.00 C ATOM 283 OG SER A 23 -0.241 5.290 -3.753 1.00 0.00 O ATOM 0 H SER A 23 3.453 4.957 -3.062 1.00 0.00 H new ATOM 0 HA SER A 23 1.920 7.161 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.552 4.894 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.368 4.255 -3.032 1.00 0.00 H new ATOM 0 HG SER A 23 -0.671 4.889 -2.969 1.00 0.00 H new ATOM 289 N GLY A 24 1.286 6.161 -0.722 1.00 0.00 N ATOM 290 CA GLY A 24 0.187 6.115 0.238 1.00 0.00 C ATOM 291 C GLY A 24 -1.127 5.719 -0.441 1.00 0.00 C ATOM 292 O GLY A 24 -1.070 5.063 -1.513 1.00 0.00 O ATOM 0 H GLY A 24 2.106 5.613 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.421 5.401 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.075 7.090 0.713 1.00 0.00 H new TER 296 GLY A 24