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+ -145:sc= 0.13 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.301 4.217 -3.944 1.00 0.00 N ATOM 2 CA ALA A 1 -9.218 3.671 -2.575 1.00 0.00 C ATOM 3 C ALA A 1 -10.272 2.563 -2.427 1.00 0.00 C ATOM 4 O ALA A 1 -10.587 1.918 -3.426 1.00 0.00 O ATOM 5 CB ALA A 1 -9.339 4.803 -1.544 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.349 4.476 -4.273 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.704 3.499 -4.580 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.909 5.061 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.246 3.215 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.276 4.387 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.530 5.518 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.297 5.308 -1.669 1.00 0.00 H new ATOM 13 N VAL A 2 -10.812 2.362 -1.219 1.00 0.00 N ATOM 14 CA VAL A 2 -12.013 1.590 -0.876 1.00 0.00 C ATOM 15 C VAL A 2 -11.855 0.084 -1.122 1.00 0.00 C ATOM 16 O VAL A 2 -11.815 -0.675 -0.159 1.00 0.00 O ATOM 17 CB VAL A 2 -13.285 2.194 -1.527 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.558 1.489 -1.030 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.427 3.697 -1.226 1.00 0.00 C ATOM 0 H VAL A 2 -10.385 2.769 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.147 1.678 0.202 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.170 2.047 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.431 1.936 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.510 0.430 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.637 1.600 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.331 4.079 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.492 3.848 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.559 4.230 -1.616 1.00 0.00 H new ATOM 29 N GLY A 3 -11.824 -0.352 -2.384 1.00 0.00 N ATOM 30 CA GLY A 3 -11.516 -1.717 -2.768 1.00 0.00 C ATOM 31 C GLY A 3 -10.006 -1.904 -2.821 1.00 0.00 C ATOM 32 O GLY A 3 -9.303 -1.788 -1.819 1.00 0.00 O ATOM 0 H GLY A 3 -12.018 0.255 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.954 -2.414 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.955 -1.940 -3.741 1.00 0.00 H new ATOM 36 N ILE A 4 -9.500 -2.114 -4.038 1.00 0.00 N ATOM 37 CA ILE A 4 -8.097 -2.417 -4.318 1.00 0.00 C ATOM 38 C ILE A 4 -7.177 -1.338 -3.731 1.00 0.00 C ATOM 39 O ILE A 4 -6.110 -1.654 -3.206 1.00 0.00 O ATOM 40 CB ILE A 4 -7.894 -2.598 -5.843 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.827 -3.667 -6.465 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.430 -2.918 -6.194 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.718 -5.073 -5.857 1.00 0.00 C ATOM 0 H ILE A 4 -10.074 -2.077 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.826 -3.355 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.162 -1.636 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.858 -3.326 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.614 -3.734 -7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.332 -3.037 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.789 -2.102 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.131 -3.842 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.412 -5.743 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.701 -5.444 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.964 -5.031 -4.796 1.00 0.00 H new ATOM 55 N GLY A 5 -7.607 -0.069 -3.747 1.00 0.00 N ATOM 56 CA GLY A 5 -6.787 1.022 -3.255 1.00 0.00 C ATOM 57 C GLY A 5 -6.649 0.983 -1.733 1.00 0.00 C ATOM 58 O GLY A 5 -5.624 1.415 -1.210 1.00 0.00 O ATOM 0 H GLY A 5 -8.521 0.217 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.799 0.969 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.227 1.973 -3.556 1.00 0.00 H new ATOM 62 N ALA A 6 -7.659 0.461 -1.023 1.00 0.00 N ATOM 63 CA ALA A 6 -7.561 0.233 0.411 1.00 0.00 C ATOM 64 C ALA A 6 -6.564 -0.884 0.716 1.00 0.00 C ATOM 65 O ALA A 6 -5.865 -0.808 1.717 1.00 0.00 O ATOM 66 CB ALA A 6 -8.931 -0.103 0.991 1.00 0.00 C ATOM 0 H ALA A 6 -8.555 0.190 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.200 1.149 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.841 -0.271 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.616 0.725 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.317 -1.004 0.514 1.00 0.00 H new ATOM 72 N LEU A 7 -6.452 -1.904 -0.145 1.00 0.00 N ATOM 73 CA LEU A 7 -5.413 -2.915 -0.003 1.00 0.00 C ATOM 74 C LEU A 7 -4.059 -2.283 -0.257 1.00 0.00 C ATOM 75 O LEU A 7 -3.107 -2.549 0.460 1.00 0.00 O ATOM 76 CB LEU A 7 -5.597 -4.113 -0.959 1.00 0.00 C ATOM 77 CG LEU A 7 -7.047 -4.557 -1.187 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.095 -5.699 -2.210 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.742 -4.997 0.108 1.00 0.00 C ATOM 0 H LEU A 7 -7.070 -2.045 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.483 -3.300 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.157 -3.857 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.033 -4.959 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.586 -3.690 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.129 -6.006 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.673 -5.358 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.517 -6.545 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.765 -5.301 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.201 -5.837 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.754 -4.167 0.814 1.00 0.00 H new ATOM 91 N PHE A 8 -3.978 -1.433 -1.270 1.00 0.00 N ATOM 92 CA PHE A 8 -2.702 -0.872 -1.699 1.00 0.00 C ATOM 93 C PHE A 8 -2.111 0.042 -0.632 1.00 0.00 C ATOM 94 O PHE A 8 -0.952 -0.114 -0.252 1.00 0.00 O ATOM 95 CB PHE A 8 -2.932 -0.014 -2.936 1.00 0.00 C ATOM 96 CG PHE A 8 -2.847 -0.707 -4.289 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.166 -2.073 -4.447 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.415 0.031 -5.409 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.037 -2.691 -5.704 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.297 -0.585 -6.667 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.606 -1.948 -6.815 1.00 0.00 C ATOM 0 H PHE A 8 -4.781 -1.115 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.022 -1.701 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.918 0.443 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.203 0.797 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.511 -2.646 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.173 1.078 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.270 -3.740 -5.815 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.969 -0.010 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.512 -2.423 -7.781 1.00 0.00 H new ATOM 111 N LEU A 9 -2.920 0.976 -0.123 1.00 0.00 N ATOM 112 CA LEU A 9 -2.428 1.887 0.907 1.00 0.00 C ATOM 113 C LEU A 9 -2.432 1.197 2.267 1.00 0.00 C ATOM 114 O LEU A 9 -1.717 1.616 3.174 1.00 0.00 O ATOM 115 CB LEU A 9 -3.236 3.202 0.911 1.00 0.00 C ATOM 116 CG LEU A 9 -4.682 3.118 1.463 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.770 3.413 2.969 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.589 4.126 0.740 1.00 0.00 C ATOM 0 H LEU A 9 -3.892 1.118 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.396 2.155 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.688 3.939 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.281 3.579 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.007 2.092 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.808 3.338 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.165 2.691 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.400 4.419 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.601 4.055 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.208 5.135 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.603 3.903 -0.327 1.00 0.00 H new ATOM 130 N GLY A 10 -3.278 0.174 2.405 1.00 0.00 N ATOM 131 CA GLY A 10 -3.588 -0.438 3.694 1.00 0.00 C ATOM 132 C GLY A 10 -2.852 -1.749 3.892 1.00 0.00 C ATOM 133 O GLY A 10 -1.846 -1.804 4.590 1.00 0.00 O ATOM 0 H GLY A 10 -3.769 -0.254 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.323 0.251 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.662 -0.611 3.764 1.00 0.00 H new ATOM 137 N PHE A 11 -3.382 -2.809 3.283 1.00 0.00 N ATOM 138 CA PHE A 11 -2.898 -4.180 3.407 1.00 0.00 C ATOM 139 C PHE A 11 -1.415 -4.296 3.011 1.00 0.00 C ATOM 140 O PHE A 11 -0.605 -4.833 3.764 1.00 0.00 O ATOM 141 CB PHE A 11 -3.801 -5.070 2.532 1.00 0.00 C ATOM 142 CG PHE A 11 -3.531 -6.554 2.682 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.154 -7.285 3.712 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.644 -7.205 1.802 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.895 -8.659 3.860 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.385 -8.579 1.951 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.010 -9.306 2.980 1.00 0.00 C ATOM 0 H PHE A 11 -4.191 -2.732 2.667 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.950 -4.507 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.843 -4.873 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.668 -4.790 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.833 -6.789 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.162 -6.648 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.376 -9.217 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.706 -9.076 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.810 -10.361 3.094 1.00 0.00 H new ATOM 157 N LEU A 12 -1.059 -3.737 1.851 1.00 0.00 N ATOM 158 CA LEU A 12 0.299 -3.605 1.341 1.00 0.00 C ATOM 159 C LEU A 12 1.068 -2.567 2.160 1.00 0.00 C ATOM 160 O LEU A 12 2.191 -2.843 2.572 1.00 0.00 O ATOM 161 CB LEU A 12 0.224 -3.241 -0.156 1.00 0.00 C ATOM 162 CG LEU A 12 1.482 -2.583 -0.760 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.678 -3.540 -0.755 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.191 -2.136 -2.199 1.00 0.00 C ATOM 0 H LEU A 12 -1.751 -3.345 1.212 1.00 0.00 H new ATOM 0 HA LEU A 12 0.844 -4.544 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.008 -4.149 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.620 -2.567 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 12 1.736 -1.721 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.545 -3.041 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.903 -3.835 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.438 -4.426 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.081 -1.672 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.912 -3.002 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.372 -1.417 -2.198 1.00 0.00 H new ATOM 176 N GLY A 13 0.481 -1.393 2.420 1.00 0.00 N ATOM 177 CA GLY A 13 1.214 -0.286 3.027 1.00 0.00 C ATOM 178 C GLY A 13 1.600 -0.560 4.483 1.00 0.00 C ATOM 179 O GLY A 13 2.662 -0.117 4.917 1.00 0.00 O ATOM 0 H GLY A 13 -0.498 -1.189 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.116 -0.092 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.605 0.617 2.981 1.00 0.00 H new ATOM 183 N ALA A 14 0.817 -1.358 5.218 1.00 0.00 N ATOM 184 CA ALA A 14 1.190 -1.868 6.534 1.00 0.00 C ATOM 185 C ALA A 14 2.453 -2.733 6.449 1.00 0.00 C ATOM 186 O ALA A 14 3.326 -2.630 7.308 1.00 0.00 O ATOM 187 CB ALA A 14 0.022 -2.668 7.123 1.00 0.00 C ATOM 0 H ALA A 14 -0.104 -1.669 4.908 1.00 0.00 H new ATOM 0 HA ALA A 14 1.411 -1.025 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.301 -3.049 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.850 -2.021 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.216 -3.503 6.464 1.00 0.00 H new ATOM 193 N ALA A 15 2.575 -3.553 5.397 1.00 0.00 N ATOM 194 CA ALA A 15 3.788 -4.292 5.057 1.00 0.00 C ATOM 195 C ALA A 15 4.841 -3.450 4.336 1.00 0.00 C ATOM 196 O ALA A 15 5.803 -3.994 3.791 1.00 0.00 O ATOM 197 CB ALA A 15 3.446 -5.535 4.243 1.00 0.00 C ATOM 0 H ALA A 15 1.810 -3.722 4.744 1.00 0.00 H new ATOM 0 HA ALA A 15 4.237 -4.588 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.362 -6.073 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.789 -6.182 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.942 -5.240 3.323 1.00 0.00 H new ATOM 203 N GLY A 16 4.716 -2.124 4.367 1.00 0.00 N ATOM 204 CA GLY A 16 5.602 -1.183 3.691 1.00 0.00 C ATOM 205 C GLY A 16 6.944 -1.047 4.414 1.00 0.00 C ATOM 206 O GLY A 16 7.594 -0.009 4.327 1.00 0.00 O ATOM 0 H GLY A 16 3.968 -1.661 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.773 -1.516 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.120 -0.207 3.633 1.00 0.00 H new ATOM 210 N SER A 17 7.372 -2.104 5.114 1.00 0.00 N ATOM 211 CA SER A 17 8.626 -2.180 5.850 1.00 0.00 C ATOM 212 C SER A 17 9.845 -2.094 4.920 1.00 0.00 C ATOM 213 O SER A 17 10.927 -1.723 5.368 1.00 0.00 O ATOM 214 CB SER A 17 8.655 -3.493 6.643 1.00 0.00 C ATOM 215 OG SER A 17 7.417 -3.731 7.290 1.00 0.00 O ATOM 0 H SER A 17 6.826 -2.963 5.182 1.00 0.00 H new ATOM 0 HA SER A 17 8.681 -1.328 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.882 -4.321 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.454 -3.455 7.384 1.00 0.00 H new ATOM 0 HG SER A 17 7.464 -4.575 7.786 1.00 0.00 H new ATOM 221 N THR A 18 9.673 -2.372 3.620 1.00 0.00 N ATOM 222 CA THR A 18 10.688 -2.180 2.579 1.00 0.00 C ATOM 223 C THR A 18 10.747 -0.686 2.194 1.00 0.00 C ATOM 224 O THR A 18 10.602 -0.317 1.032 1.00 0.00 O ATOM 225 CB THR A 18 10.388 -3.132 1.399 1.00 0.00 C ATOM 226 OG1 THR A 18 10.191 -4.441 1.901 1.00 0.00 O ATOM 227 CG2 THR A 18 11.520 -3.235 0.369 1.00 0.00 C ATOM 0 H THR A 18 8.798 -2.748 3.255 1.00 0.00 H new ATOM 0 HA THR A 18 11.685 -2.440 2.935 1.00 0.00 H new ATOM 0 HB THR A 18 9.510 -2.716 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.998 -5.051 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.228 -3.923 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.715 -2.251 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.422 -3.605 0.856 1.00 0.00 H new ATOM 235 N VAL A 19 10.873 0.187 3.203 1.00 0.00 N ATOM 236 CA VAL A 19 11.111 1.625 3.081 1.00 0.00 C ATOM 237 C VAL A 19 12.179 1.965 2.034 1.00 0.00 C ATOM 238 O VAL A 19 11.953 2.790 1.150 1.00 0.00 O ATOM 239 CB VAL A 19 11.382 2.266 4.460 1.00 0.00 C ATOM 240 CG1 VAL A 19 10.098 2.268 5.304 1.00 0.00 C ATOM 241 CG2 VAL A 19 12.507 1.612 5.285 1.00 0.00 C ATOM 0 H VAL A 19 10.808 -0.111 4.176 1.00 0.00 H new ATOM 0 HA VAL A 19 10.193 2.074 2.701 1.00 0.00 H new ATOM 0 HB VAL A 19 11.721 3.276 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.301 2.722 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.326 2.840 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.755 1.243 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.615 2.138 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.259 0.568 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.444 1.667 4.731 1.00 0.00 H new ATOM 251 N GLY A 20 13.352 1.338 2.161 1.00 0.00 N ATOM 252 CA GLY A 20 14.446 1.416 1.204 1.00 0.00 C ATOM 253 C GLY A 20 14.388 0.239 0.234 1.00 0.00 C ATOM 254 O GLY A 20 13.717 -0.754 0.505 1.00 0.00 O ATOM 0 H GLY A 20 13.568 0.744 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.389 2.354 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.400 1.414 1.731 1.00 0.00 H new ATOM 258 N ALA A 21 15.120 0.349 -0.882 1.00 0.00 N ATOM 259 CA ALA A 21 15.130 -0.604 -1.997 1.00 0.00 C ATOM 260 C ALA A 21 13.756 -0.797 -2.669 1.00 0.00 C ATOM 261 O ALA A 21 13.577 -1.726 -3.454 1.00 0.00 O ATOM 262 CB ALA A 21 15.785 -1.930 -1.580 1.00 0.00 C ATOM 0 H ALA A 21 15.747 1.138 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 21 15.748 -0.161 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.780 -2.620 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.813 -1.746 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.227 -2.367 -0.752 1.00 0.00 H new ATOM 268 N ALA A 22 12.777 0.080 -2.399 1.00 0.00 N ATOM 269 CA ALA A 22 11.427 -0.015 -2.954 1.00 0.00 C ATOM 270 C ALA A 22 11.417 0.086 -4.487 1.00 0.00 C ATOM 271 O ALA A 22 10.578 -0.528 -5.141 1.00 0.00 O ATOM 272 CB ALA A 22 10.560 1.093 -2.346 1.00 0.00 C ATOM 0 H ALA A 22 12.906 0.882 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 22 11.024 -0.995 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.551 1.031 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.522 0.972 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.990 2.065 -2.588 1.00 0.00 H new ATOM 278 N SER A 23 12.344 0.861 -5.059 1.00 0.00 N ATOM 279 CA SER A 23 12.592 0.984 -6.494 1.00 0.00 C ATOM 280 C SER A 23 13.408 -0.180 -7.075 1.00 0.00 C ATOM 281 O SER A 23 13.593 -0.236 -8.291 1.00 0.00 O ATOM 282 CB SER A 23 13.349 2.295 -6.746 1.00 0.00 C ATOM 283 OG SER A 23 12.648 3.395 -6.192 1.00 0.00 O ATOM 0 H SER A 23 12.970 1.446 -4.506 1.00 0.00 H new ATOM 0 HA SER A 23 11.623 0.970 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.345 2.235 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.480 2.444 -7.818 1.00 0.00 H new ATOM 0 HG SER A 23 13.148 4.221 -6.362 1.00 0.00 H new ATOM 289 N GLY A 24 13.964 -1.044 -6.221 1.00 0.00 N ATOM 290 CA GLY A 24 15.306 -1.573 -6.402 1.00 0.00 C ATOM 291 C GLY A 24 16.231 -0.809 -5.458 1.00 0.00 C ATOM 292 O GLY A 24 17.249 -1.408 -5.056 1.00 0.00 O ATOM 0 H GLY A 24 13.491 -1.392 -5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.330 -2.640 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.629 -1.453 -7.436 1.00 0.00 H new TER 296 GLY A 24