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+ -179:sc= 0.787 (180deg=0.785) USER MOD Single : A 17 SER OG : rot -52:sc= 1.29 USER MOD Single : A 18 THR OG1 : rot -109:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.009 4.305 -1.776 1.00 0.00 N ATOM 2 CA ALA A 1 -9.422 4.187 -2.190 1.00 0.00 C ATOM 3 C ALA A 1 -10.133 3.218 -1.240 1.00 0.00 C ATOM 4 O ALA A 1 -9.733 3.167 -0.080 1.00 0.00 O ATOM 5 CB ALA A 1 -9.548 3.821 -3.675 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.518 4.974 -2.403 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.962 4.651 -0.796 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.551 3.373 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.922 5.152 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.602 3.743 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.076 4.594 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.056 2.866 -3.857 1.00 0.00 H new ATOM 13 N VAL A 2 -11.168 2.489 -1.691 1.00 0.00 N ATOM 14 CA VAL A 2 -12.103 1.789 -0.802 1.00 0.00 C ATOM 15 C VAL A 2 -12.088 0.264 -1.006 1.00 0.00 C ATOM 16 O VAL A 2 -12.133 -0.466 -0.021 1.00 0.00 O ATOM 17 CB VAL A 2 -13.525 2.385 -0.960 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.508 1.802 0.067 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.530 3.917 -0.798 1.00 0.00 C ATOM 0 H VAL A 2 -11.377 2.370 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.772 1.947 0.224 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.841 2.119 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.493 2.246 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.574 0.722 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.155 2.023 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.547 4.292 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.160 4.179 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.887 4.365 -1.556 1.00 0.00 H new ATOM 29 N GLY A 3 -12.069 -0.232 -2.252 1.00 0.00 N ATOM 30 CA GLY A 3 -11.935 -1.647 -2.553 1.00 0.00 C ATOM 31 C GLY A 3 -10.469 -2.058 -2.538 1.00 0.00 C ATOM 32 O GLY A 3 -9.756 -1.922 -1.549 1.00 0.00 O ATOM 0 H GLY A 3 -12.148 0.354 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.491 -2.235 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.369 -1.860 -3.530 1.00 0.00 H new ATOM 36 N ILE A 4 -9.988 -2.468 -3.710 1.00 0.00 N ATOM 37 CA ILE A 4 -8.614 -2.945 -3.905 1.00 0.00 C ATOM 38 C ILE A 4 -7.616 -1.820 -3.578 1.00 0.00 C ATOM 39 O ILE A 4 -6.545 -2.046 -3.018 1.00 0.00 O ATOM 40 CB ILE A 4 -8.446 -3.493 -5.345 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.496 -4.567 -5.722 1.00 0.00 C ATOM 42 CG2 ILE A 4 -7.030 -4.048 -5.578 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.564 -5.785 -4.788 1.00 0.00 C ATOM 0 H ILE A 4 -10.546 -2.480 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.404 -3.768 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.610 -2.636 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.479 -4.096 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.284 -4.918 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.950 -4.423 -6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.298 -3.255 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.837 -4.860 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.331 -6.474 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.598 -6.291 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.811 -5.456 -3.779 1.00 0.00 H new ATOM 55 N GLY A 5 -7.999 -0.582 -3.887 1.00 0.00 N ATOM 56 CA GLY A 5 -7.247 0.621 -3.591 1.00 0.00 C ATOM 57 C GLY A 5 -7.227 0.994 -2.108 1.00 0.00 C ATOM 58 O GLY A 5 -6.476 1.899 -1.747 1.00 0.00 O ATOM 0 H GLY A 5 -8.877 -0.390 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.221 0.490 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.670 1.450 -4.158 1.00 0.00 H new ATOM 62 N ALA A 6 -8.084 0.412 -1.255 1.00 0.00 N ATOM 63 CA ALA A 6 -7.843 0.405 0.185 1.00 0.00 C ATOM 64 C ALA A 6 -6.651 -0.494 0.512 1.00 0.00 C ATOM 65 O ALA A 6 -5.793 -0.116 1.303 1.00 0.00 O ATOM 66 CB ALA A 6 -9.090 -0.025 0.960 1.00 0.00 C ATOM 0 H ALA A 6 -8.944 -0.056 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.607 1.422 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.874 -0.019 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.905 0.667 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.380 -1.030 0.654 1.00 0.00 H new ATOM 72 N LEU A 7 -6.576 -1.678 -0.111 1.00 0.00 N ATOM 73 CA LEU A 7 -5.521 -2.659 0.155 1.00 0.00 C ATOM 74 C LEU A 7 -4.175 -2.077 -0.245 1.00 0.00 C ATOM 75 O LEU A 7 -3.180 -2.294 0.433 1.00 0.00 O ATOM 76 CB LEU A 7 -5.732 -3.984 -0.606 1.00 0.00 C ATOM 77 CG LEU A 7 -7.187 -4.454 -0.680 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.295 -5.724 -1.531 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.797 -4.712 0.704 1.00 0.00 C ATOM 0 H LEU A 7 -7.249 -1.981 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.554 -2.879 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.349 -3.870 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.137 -4.761 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.753 -3.645 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.336 -6.046 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.937 -5.518 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.689 -6.513 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.829 -5.043 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.223 -5.484 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.773 -3.793 1.289 1.00 0.00 H new ATOM 91 N PHE A 8 -4.165 -1.311 -1.332 1.00 0.00 N ATOM 92 CA PHE A 8 -2.954 -0.716 -1.890 1.00 0.00 C ATOM 93 C PHE A 8 -2.247 0.187 -0.881 1.00 0.00 C ATOM 94 O PHE A 8 -1.043 0.073 -0.669 1.00 0.00 O ATOM 95 CB PHE A 8 -3.367 0.193 -3.049 1.00 0.00 C ATOM 96 CG PHE A 8 -3.488 -0.423 -4.435 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.709 -1.803 -4.627 1.00 0.00 C ATOM 98 CD2 PHE A 8 -3.348 0.415 -5.560 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.765 -2.336 -5.927 1.00 0.00 C ATOM 100 CE2 PHE A 8 -3.418 -0.117 -6.859 1.00 0.00 C ATOM 101 CZ PHE A 8 -3.624 -1.494 -7.043 1.00 0.00 C ATOM 0 H PHE A 8 -5.009 -1.083 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.290 -1.528 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.329 0.638 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.645 1.007 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.836 -2.452 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.186 1.474 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.917 -3.396 -6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.313 0.533 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.674 -1.905 -8.040 1.00 0.00 H new ATOM 111 N LEU A 9 -3.012 1.090 -0.267 1.00 0.00 N ATOM 112 CA LEU A 9 -2.453 2.025 0.711 1.00 0.00 C ATOM 113 C LEU A 9 -2.377 1.386 2.093 1.00 0.00 C ATOM 114 O LEU A 9 -1.589 1.809 2.934 1.00 0.00 O ATOM 115 CB LEU A 9 -3.220 3.363 0.701 1.00 0.00 C ATOM 116 CG LEU A 9 -4.696 3.323 1.160 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.870 3.499 2.677 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.484 4.445 0.471 1.00 0.00 C ATOM 0 H LEU A 9 -4.014 1.194 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.428 2.260 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.685 4.066 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.190 3.765 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.067 2.335 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.930 3.461 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.344 2.699 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.460 4.462 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.523 4.413 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.050 5.409 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.439 4.311 -0.610 1.00 0.00 H new ATOM 130 N GLY A 10 -3.232 0.388 2.316 1.00 0.00 N ATOM 131 CA GLY A 10 -3.517 -0.164 3.633 1.00 0.00 C ATOM 132 C GLY A 10 -2.789 -1.478 3.859 1.00 0.00 C ATOM 133 O GLY A 10 -1.778 -1.525 4.552 1.00 0.00 O ATOM 0 H GLY A 10 -3.755 -0.066 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.222 0.552 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.591 -0.320 3.738 1.00 0.00 H new ATOM 137 N PHE A 11 -3.326 -2.549 3.278 1.00 0.00 N ATOM 138 CA PHE A 11 -2.851 -3.919 3.434 1.00 0.00 C ATOM 139 C PHE A 11 -1.395 -4.064 2.960 1.00 0.00 C ATOM 140 O PHE A 11 -0.547 -4.581 3.683 1.00 0.00 O ATOM 141 CB PHE A 11 -3.803 -4.821 2.630 1.00 0.00 C ATOM 142 CG PHE A 11 -3.548 -6.306 2.798 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.161 -7.013 3.849 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.695 -6.983 1.904 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.925 -8.390 4.005 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.458 -8.360 2.062 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.073 -9.064 3.112 1.00 0.00 C ATOM 0 H PHE A 11 -4.136 -2.482 2.662 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.853 -4.209 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.829 -4.604 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.719 -4.567 1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.814 -6.497 4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.223 -6.444 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.398 -8.931 4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.803 -8.877 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.891 -10.122 3.233 1.00 0.00 H new ATOM 157 N LEU A 12 -1.102 -3.556 1.758 1.00 0.00 N ATOM 158 CA LEU A 12 0.229 -3.488 1.169 1.00 0.00 C ATOM 159 C LEU A 12 1.100 -2.505 1.955 1.00 0.00 C ATOM 160 O LEU A 12 2.235 -2.837 2.284 1.00 0.00 O ATOM 161 CB LEU A 12 0.085 -3.109 -0.319 1.00 0.00 C ATOM 162 CG LEU A 12 1.341 -2.515 -0.985 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.506 -3.512 -1.019 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.016 -2.093 -2.425 1.00 0.00 C ATOM 0 H LEU A 12 -1.820 -3.166 1.148 1.00 0.00 H new ATOM 0 HA LEU A 12 0.732 -4.454 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.211 -3.999 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.728 -2.389 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 12 1.643 -1.655 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.368 -3.048 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.768 -3.801 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.211 -4.397 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.908 -1.674 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.684 -2.962 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.225 -1.343 -2.415 1.00 0.00 H new ATOM 176 N GLY A 13 0.573 -1.326 2.303 1.00 0.00 N ATOM 177 CA GLY A 13 1.369 -0.294 2.959 1.00 0.00 C ATOM 178 C GLY A 13 1.772 -0.694 4.382 1.00 0.00 C ATOM 179 O GLY A 13 2.872 -0.353 4.813 1.00 0.00 O ATOM 0 H GLY A 13 -0.400 -1.067 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.265 -0.099 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.801 0.636 2.991 1.00 0.00 H new ATOM 183 N ALA A 14 0.953 -1.487 5.086 1.00 0.00 N ATOM 184 CA ALA A 14 1.322 -2.101 6.357 1.00 0.00 C ATOM 185 C ALA A 14 2.515 -3.053 6.196 1.00 0.00 C ATOM 186 O ALA A 14 3.378 -3.099 7.068 1.00 0.00 O ATOM 187 CB ALA A 14 0.114 -2.843 6.939 1.00 0.00 C ATOM 0 H ALA A 14 0.008 -1.719 4.781 1.00 0.00 H new ATOM 0 HA ALA A 14 1.626 -1.312 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.391 -3.301 7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.702 -2.139 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.207 -3.617 6.243 1.00 0.00 H new ATOM 193 N ALA A 15 2.594 -3.782 5.075 1.00 0.00 N ATOM 194 CA ALA A 15 3.758 -4.575 4.681 1.00 0.00 C ATOM 195 C ALA A 15 4.882 -3.756 4.049 1.00 0.00 C ATOM 196 O ALA A 15 5.763 -4.326 3.402 1.00 0.00 O ATOM 197 CB ALA A 15 3.359 -5.711 3.746 1.00 0.00 C ATOM 0 H ALA A 15 1.829 -3.836 4.402 1.00 0.00 H new ATOM 0 HA ALA A 15 4.153 -4.984 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.245 -6.283 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.647 -6.365 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.899 -5.299 2.848 1.00 0.00 H new ATOM 203 N GLY A 16 4.861 -2.432 4.199 1.00 0.00 N ATOM 204 CA GLY A 16 5.826 -1.512 3.614 1.00 0.00 C ATOM 205 C GLY A 16 7.155 -1.560 4.366 1.00 0.00 C ATOM 206 O GLY A 16 7.682 -0.523 4.763 1.00 0.00 O ATOM 0 H GLY A 16 4.146 -1.958 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.988 -1.767 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.427 -0.498 3.638 1.00 0.00 H new ATOM 210 N SER A 17 7.691 -2.771 4.554 1.00 0.00 N ATOM 211 CA SER A 17 8.957 -3.040 5.219 1.00 0.00 C ATOM 212 C SER A 17 10.130 -2.433 4.444 1.00 0.00 C ATOM 213 O SER A 17 10.715 -3.059 3.560 1.00 0.00 O ATOM 214 CB SER A 17 9.123 -4.551 5.407 1.00 0.00 C ATOM 215 OG SER A 17 8.253 -4.991 6.430 1.00 0.00 O ATOM 0 H SER A 17 7.230 -3.622 4.231 1.00 0.00 H new ATOM 0 HA SER A 17 8.952 -2.567 6.201 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.901 -5.072 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.156 -4.786 5.665 1.00 0.00 H new ATOM 0 HG SER A 17 8.387 -4.443 7.232 1.00 0.00 H new ATOM 221 N THR A 18 10.485 -1.201 4.809 1.00 0.00 N ATOM 222 CA THR A 18 11.647 -0.481 4.312 1.00 0.00 C ATOM 223 C THR A 18 12.914 -1.176 4.830 1.00 0.00 C ATOM 224 O THR A 18 12.985 -1.566 5.992 1.00 0.00 O ATOM 225 CB THR A 18 11.560 1.022 4.706 1.00 0.00 C ATOM 226 OG1 THR A 18 12.831 1.572 4.989 1.00 0.00 O ATOM 227 CG2 THR A 18 10.647 1.361 5.897 1.00 0.00 C ATOM 0 H THR A 18 9.947 -0.660 5.486 1.00 0.00 H new ATOM 0 HA THR A 18 11.681 -0.502 3.223 1.00 0.00 H new ATOM 0 HB THR A 18 11.113 1.462 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.910 1.734 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.667 2.436 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.627 1.050 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.999 0.838 6.786 1.00 0.00 H new ATOM 235 N VAL A 19 13.932 -1.314 3.968 1.00 0.00 N ATOM 236 CA VAL A 19 15.296 -1.718 4.332 1.00 0.00 C ATOM 237 C VAL A 19 15.772 -0.989 5.600 1.00 0.00 C ATOM 238 O VAL A 19 16.331 -1.609 6.505 1.00 0.00 O ATOM 239 CB VAL A 19 16.245 -1.510 3.129 1.00 0.00 C ATOM 240 CG1 VAL A 19 17.693 -1.911 3.457 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.784 -2.323 1.906 1.00 0.00 C ATOM 0 H VAL A 19 13.825 -1.142 2.968 1.00 0.00 H new ATOM 0 HA VAL A 19 15.303 -2.781 4.574 1.00 0.00 H new ATOM 0 HB VAL A 19 16.212 -0.444 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.323 -1.748 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.059 -1.306 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.725 -2.964 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.472 -2.155 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.771 -3.383 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.782 -2.007 1.616 1.00 0.00 H new ATOM 251 N GLY A 20 15.518 0.322 5.679 1.00 0.00 N ATOM 252 CA GLY A 20 15.658 1.083 6.906 1.00 0.00 C ATOM 253 C GLY A 20 14.453 0.772 7.785 1.00 0.00 C ATOM 254 O GLY A 20 13.381 1.313 7.518 1.00 0.00 O ATOM 0 H GLY A 20 15.208 0.880 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.583 0.817 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.709 2.150 6.690 1.00 0.00 H new ATOM 258 N ALA A 21 14.649 -0.092 8.789 1.00 0.00 N ATOM 259 CA ALA A 21 13.667 -0.556 9.770 1.00 0.00 C ATOM 260 C ALA A 21 12.476 -1.295 9.137 1.00 0.00 C ATOM 261 O ALA A 21 11.376 -0.760 9.007 1.00 0.00 O ATOM 262 CB ALA A 21 13.256 0.586 10.709 1.00 0.00 C ATOM 0 H ALA A 21 15.564 -0.514 8.946 1.00 0.00 H new ATOM 0 HA ALA A 21 14.152 -1.315 10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.526 0.219 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.134 0.956 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.816 1.395 10.127 1.00 0.00 H new ATOM 268 N ALA A 22 12.686 -2.579 8.816 1.00 0.00 N ATOM 269 CA ALA A 22 11.693 -3.441 8.171 1.00 0.00 C ATOM 270 C ALA A 22 10.424 -3.635 9.013 1.00 0.00 C ATOM 271 O ALA A 22 9.348 -3.864 8.455 1.00 0.00 O ATOM 272 CB ALA A 22 12.339 -4.795 7.856 1.00 0.00 C ATOM 0 H ALA A 22 13.569 -3.054 9.002 1.00 0.00 H new ATOM 0 HA ALA A 22 11.373 -2.948 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.607 -5.444 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.187 -4.647 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.683 -5.258 8.781 1.00 0.00 H new ATOM 278 N SER A 23 10.548 -3.555 10.340 1.00 0.00 N ATOM 279 CA SER A 23 9.446 -3.630 11.293 1.00 0.00 C ATOM 280 C SER A 23 8.649 -2.321 11.404 1.00 0.00 C ATOM 281 O SER A 23 7.603 -2.318 12.054 1.00 0.00 O ATOM 282 CB SER A 23 10.023 -3.959 12.675 1.00 0.00 C ATOM 283 OG SER A 23 10.871 -5.094 12.618 1.00 0.00 O ATOM 0 H SER A 23 11.453 -3.432 10.794 1.00 0.00 H new ATOM 0 HA SER A 23 8.761 -4.399 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.582 -3.103 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.210 -4.144 13.377 1.00 0.00 H new ATOM 0 HG SER A 23 11.227 -5.281 13.512 1.00 0.00 H new ATOM 289 N GLY A 24 9.144 -1.220 10.823 1.00 0.00 N ATOM 290 CA GLY A 24 8.897 0.113 11.356 1.00 0.00 C ATOM 291 C GLY A 24 9.902 0.430 12.463 1.00 0.00 C ATOM 292 O GLY A 24 10.576 -0.513 12.942 1.00 0.00 O ATOM 0 H GLY A 24 9.719 -1.234 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.977 0.852 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.882 0.174 11.747 1.00 0.00 H new TER 296 GLY A 24