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+ -143:sc= 0.0997 (180deg=0) USER MOD Single : A 17 SER OG : rot -25:sc= 0.835 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 -9.423 4.191 -3.794 1.00 0.00 N ATOM 2 CA ALA A 1 -9.365 3.609 -2.437 1.00 0.00 C ATOM 3 C ALA A 1 -10.390 2.468 -2.344 1.00 0.00 C ATOM 4 O ALA A 1 -10.728 1.897 -3.380 1.00 0.00 O ATOM 5 CB ALA A 1 -9.556 4.711 -1.383 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.464 4.454 -4.100 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.818 3.492 -4.455 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.027 5.038 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.386 3.175 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.512 4.273 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.766 5.455 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.525 5.188 -1.527 1.00 0.00 H new ATOM 13 N VAL A 2 -10.879 2.155 -1.138 1.00 0.00 N ATOM 14 CA VAL A 2 -12.054 1.332 -0.820 1.00 0.00 C ATOM 15 C VAL A 2 -11.876 -0.151 -1.171 1.00 0.00 C ATOM 16 O VAL A 2 -11.856 -0.977 -0.264 1.00 0.00 O ATOM 17 CB VAL A 2 -13.357 1.952 -1.389 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.599 1.179 -0.918 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.525 3.422 -0.964 1.00 0.00 C ATOM 0 H VAL A 2 -10.427 2.498 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.155 1.341 0.265 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.269 1.892 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.494 1.640 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.533 0.144 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.652 1.203 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.450 3.819 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.564 3.484 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.681 4.006 -1.331 1.00 0.00 H new ATOM 29 N GLY A 3 -11.801 -0.498 -2.459 1.00 0.00 N ATOM 30 CA GLY A 3 -11.480 -1.835 -2.923 1.00 0.00 C ATOM 31 C GLY A 3 -9.969 -2.018 -2.934 1.00 0.00 C ATOM 32 O GLY A 3 -9.301 -1.960 -1.904 1.00 0.00 O ATOM 0 H GLY A 3 -11.967 0.163 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.942 -2.578 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.883 -1.991 -3.923 1.00 0.00 H new ATOM 36 N ILE A 4 -9.417 -2.153 -4.140 1.00 0.00 N ATOM 37 CA ILE A 4 -7.997 -2.429 -4.360 1.00 0.00 C ATOM 38 C ILE A 4 -7.125 -1.341 -3.719 1.00 0.00 C ATOM 39 O ILE A 4 -6.063 -1.637 -3.176 1.00 0.00 O ATOM 40 CB ILE A 4 -7.712 -2.588 -5.874 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.621 -3.636 -6.564 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.233 -2.924 -6.141 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.578 -5.048 -5.960 1.00 0.00 C ATOM 0 H ILE A 4 -9.952 -2.072 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.739 -3.370 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.944 -1.618 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.650 -3.277 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.339 -3.700 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.071 -3.028 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.603 -2.123 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.977 -3.859 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.249 -5.702 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.562 -5.437 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.893 -5.007 -4.917 1.00 0.00 H new ATOM 55 N GLY A 5 -7.593 -0.087 -3.710 1.00 0.00 N ATOM 56 CA GLY A 5 -6.840 1.024 -3.155 1.00 0.00 C ATOM 57 C GLY A 5 -6.756 0.954 -1.631 1.00 0.00 C ATOM 58 O GLY A 5 -5.794 1.461 -1.059 1.00 0.00 O ATOM 0 H GLY A 5 -8.503 0.177 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.834 1.025 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.309 1.963 -3.450 1.00 0.00 H new ATOM 62 N ALA A 6 -7.736 0.321 -0.971 1.00 0.00 N ATOM 63 CA ALA A 6 -7.644 0.041 0.453 1.00 0.00 C ATOM 64 C ALA A 6 -6.562 -1.002 0.724 1.00 0.00 C ATOM 65 O ALA A 6 -5.883 -0.910 1.737 1.00 0.00 O ATOM 66 CB ALA A 6 -8.996 -0.423 0.991 1.00 0.00 C ATOM 0 H ALA A 6 -8.598 -0.003 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.367 0.958 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.912 -0.629 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.739 0.358 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.303 -1.330 0.470 1.00 0.00 H new ATOM 72 N LEU A 7 -6.349 -1.970 -0.177 1.00 0.00 N ATOM 73 CA LEU A 7 -5.221 -2.891 -0.076 1.00 0.00 C ATOM 74 C LEU A 7 -3.919 -2.141 -0.313 1.00 0.00 C ATOM 75 O LEU A 7 -2.925 -2.387 0.349 1.00 0.00 O ATOM 76 CB LEU A 7 -5.318 -4.063 -1.076 1.00 0.00 C ATOM 77 CG LEU A 7 -6.731 -4.608 -1.325 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.698 -5.691 -2.409 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.376 -5.171 -0.051 1.00 0.00 C ATOM 0 H LEU A 7 -6.949 -2.132 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.244 -3.311 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.900 -3.739 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.692 -4.879 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.341 -3.768 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.706 -6.069 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.311 -5.267 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.053 -6.508 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.374 -5.543 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.765 -5.987 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.448 -4.383 0.699 1.00 0.00 H new ATOM 91 N PHE A 8 -3.931 -1.220 -1.263 1.00 0.00 N ATOM 92 CA PHE A 8 -2.731 -0.541 -1.741 1.00 0.00 C ATOM 93 C PHE A 8 -2.118 0.364 -0.678 1.00 0.00 C ATOM 94 O PHE A 8 -0.928 0.312 -0.383 1.00 0.00 O ATOM 95 CB PHE A 8 -3.171 0.338 -2.897 1.00 0.00 C ATOM 96 CG PHE A 8 -2.051 0.745 -3.831 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.295 1.905 -3.573 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.745 -0.054 -4.949 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.242 2.266 -4.432 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.692 0.308 -5.808 1.00 0.00 C ATOM 101 CZ PHE A 8 0.059 1.468 -5.550 1.00 0.00 C ATOM 0 H PHE A 8 -4.785 -0.917 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.984 -1.285 -2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.933 -0.190 -3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.640 1.237 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.524 2.518 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.320 -0.946 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.336 3.156 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.460 -0.305 -6.666 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.867 1.746 -6.210 1.00 0.00 H new ATOM 111 N LEU A 9 -2.970 1.194 -0.084 1.00 0.00 N ATOM 112 CA LEU A 9 -2.599 2.044 1.027 1.00 0.00 C ATOM 113 C LEU A 9 -2.462 1.169 2.267 1.00 0.00 C ATOM 114 O LEU A 9 -1.622 1.426 3.124 1.00 0.00 O ATOM 115 CB LEU A 9 -3.704 3.112 1.182 1.00 0.00 C ATOM 116 CG LEU A 9 -3.853 3.713 2.589 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.643 4.567 2.993 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.114 4.586 2.647 1.00 0.00 C ATOM 0 H LEU A 9 -3.945 1.291 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.647 2.551 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.503 3.921 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.657 2.668 0.893 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.925 2.879 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.799 4.968 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.744 3.951 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.526 5.389 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.217 5.011 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.033 5.391 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.989 3.977 2.420 1.00 0.00 H new ATOM 130 N GLY A 10 -3.330 0.166 2.372 1.00 0.00 N ATOM 131 CA GLY A 10 -3.593 -0.474 3.660 1.00 0.00 C ATOM 132 C GLY A 10 -2.806 -1.761 3.833 1.00 0.00 C ATOM 133 O GLY A 10 -1.858 -1.810 4.609 1.00 0.00 O ATOM 0 H GLY A 10 -3.859 -0.219 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.339 0.216 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.658 -0.687 3.747 1.00 0.00 H new ATOM 137 N PHE A 11 -3.210 -2.808 3.117 1.00 0.00 N ATOM 138 CA PHE A 11 -2.612 -4.138 3.189 1.00 0.00 C ATOM 139 C PHE A 11 -1.117 -4.101 2.822 1.00 0.00 C ATOM 140 O PHE A 11 -0.276 -4.606 3.563 1.00 0.00 O ATOM 141 CB PHE A 11 -3.416 -5.070 2.263 1.00 0.00 C ATOM 142 CG PHE A 11 -3.053 -6.535 2.408 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.699 -7.328 3.376 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.063 -7.106 1.585 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.357 -8.684 3.520 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.720 -8.461 1.732 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.367 -9.251 2.698 1.00 0.00 C ATOM 0 H PHE A 11 -3.983 -2.753 2.453 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.657 -4.517 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.479 -4.946 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.256 -4.766 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.459 -6.894 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.567 -6.502 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.855 -9.290 4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.958 -8.896 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.104 -10.293 2.809 1.00 0.00 H new ATOM 157 N LEU A 12 -0.787 -3.454 1.700 1.00 0.00 N ATOM 158 CA LEU A 12 0.567 -3.183 1.232 1.00 0.00 C ATOM 159 C LEU A 12 1.263 -2.200 2.176 1.00 0.00 C ATOM 160 O LEU A 12 2.390 -2.468 2.586 1.00 0.00 O ATOM 161 CB LEU A 12 0.492 -2.684 -0.227 1.00 0.00 C ATOM 162 CG LEU A 12 1.694 -1.863 -0.739 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.985 -2.691 -0.766 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.413 -1.347 -2.158 1.00 0.00 C ATOM 0 H LEU A 12 -1.496 -3.088 1.065 1.00 0.00 H new ATOM 0 HA LEU A 12 1.174 -4.088 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.369 -3.550 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.406 -2.076 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 12 1.830 -1.030 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.805 -2.074 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.215 -3.039 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.853 -3.549 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.267 -0.769 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.246 -2.192 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.526 -0.713 -2.146 1.00 0.00 H new ATOM 176 N GLY A 13 0.614 -1.093 2.559 1.00 0.00 N ATOM 177 CA GLY A 13 1.278 -0.082 3.382 1.00 0.00 C ATOM 178 C GLY A 13 1.569 -0.565 4.806 1.00 0.00 C ATOM 179 O GLY A 13 2.551 -0.121 5.397 1.00 0.00 O ATOM 0 H GLY A 13 -0.353 -0.879 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.214 0.209 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.652 0.809 3.428 1.00 0.00 H new ATOM 183 N ALA A 14 0.803 -1.526 5.337 1.00 0.00 N ATOM 184 CA ALA A 14 1.130 -2.214 6.582 1.00 0.00 C ATOM 185 C ALA A 14 2.464 -2.961 6.464 1.00 0.00 C ATOM 186 O ALA A 14 3.250 -2.965 7.408 1.00 0.00 O ATOM 187 CB ALA A 14 0.000 -3.179 6.955 1.00 0.00 C ATOM 0 H ALA A 14 -0.065 -1.847 4.909 1.00 0.00 H new ATOM 0 HA ALA A 14 1.236 -1.471 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.250 -3.690 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.927 -2.621 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.128 -3.914 6.160 1.00 0.00 H new ATOM 193 N ALA A 15 2.750 -3.550 5.295 1.00 0.00 N ATOM 194 CA ALA A 15 4.056 -4.103 4.948 1.00 0.00 C ATOM 195 C ALA A 15 5.072 -3.057 4.500 1.00 0.00 C ATOM 196 O ALA A 15 6.113 -3.407 3.941 1.00 0.00 O ATOM 197 CB ALA A 15 3.932 -5.187 3.887 1.00 0.00 C ATOM 0 H ALA A 15 2.060 -3.655 4.551 1.00 0.00 H new ATOM 0 HA ALA A 15 4.437 -4.536 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.921 -5.579 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.302 -5.994 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.483 -4.766 2.987 1.00 0.00 H new ATOM 203 N GLY A 16 4.823 -1.775 4.754 1.00 0.00 N ATOM 204 CA GLY A 16 5.589 -0.660 4.211 1.00 0.00 C ATOM 205 C GLY A 16 6.953 -0.497 4.886 1.00 0.00 C ATOM 206 O GLY A 16 7.530 0.583 4.830 1.00 0.00 O ATOM 0 H GLY A 16 4.060 -1.476 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.733 -0.810 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.017 0.260 4.329 1.00 0.00 H new ATOM 210 N SER A 17 7.468 -1.571 5.498 1.00 0.00 N ATOM 211 CA SER A 17 8.896 -1.760 5.738 1.00 0.00 C ATOM 212 C SER A 17 9.596 -2.412 4.531 1.00 0.00 C ATOM 213 O SER A 17 10.802 -2.646 4.611 1.00 0.00 O ATOM 214 CB SER A 17 9.093 -2.607 7.002 1.00 0.00 C ATOM 215 OG SER A 17 10.468 -2.731 7.303 1.00 0.00 O ATOM 0 H SER A 17 6.894 -2.340 5.843 1.00 0.00 H new ATOM 0 HA SER A 17 9.353 -0.781 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.571 -2.147 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.655 -3.595 6.857 1.00 0.00 H new ATOM 0 HG SER A 17 10.994 -2.612 6.485 1.00 0.00 H new ATOM 221 N THR A 18 8.862 -2.797 3.474 1.00 0.00 N ATOM 222 CA THR A 18 9.431 -3.411 2.281 1.00 0.00 C ATOM 223 C THR A 18 10.240 -2.367 1.497 1.00 0.00 C ATOM 224 O THR A 18 11.438 -2.551 1.289 1.00 0.00 O ATOM 225 CB THR A 18 8.325 -4.146 1.488 1.00 0.00 C ATOM 226 OG1 THR A 18 8.891 -4.949 0.476 1.00 0.00 O ATOM 227 CG2 THR A 18 7.249 -3.261 0.840 1.00 0.00 C ATOM 0 H THR A 18 7.849 -2.686 3.431 1.00 0.00 H new ATOM 0 HA THR A 18 10.151 -4.189 2.535 1.00 0.00 H new ATOM 0 HB THR A 18 7.817 -4.734 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.178 -5.408 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.530 -3.889 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.734 -2.690 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.718 -2.576 0.134 1.00 0.00 H new ATOM 235 N VAL A 19 9.608 -1.269 1.064 1.00 0.00 N ATOM 236 CA VAL A 19 10.269 0.018 0.875 1.00 0.00 C ATOM 237 C VAL A 19 11.190 0.325 2.065 1.00 0.00 C ATOM 238 O VAL A 19 10.735 0.264 3.204 1.00 0.00 O ATOM 239 CB VAL A 19 9.249 1.144 0.587 1.00 0.00 C ATOM 240 CG1 VAL A 19 8.596 0.940 -0.789 1.00 0.00 C ATOM 241 CG2 VAL A 19 8.136 1.289 1.639 1.00 0.00 C ATOM 0 H VAL A 19 8.614 -1.254 0.834 1.00 0.00 H new ATOM 0 HA VAL A 19 10.902 -0.039 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 19 9.835 2.063 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.881 1.742 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.364 0.953 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.079 -0.019 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.469 2.102 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.570 0.360 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.580 1.508 2.610 1.00 0.00 H new ATOM 251 N GLY A 20 12.444 0.707 1.804 1.00 0.00 N ATOM 252 CA GLY A 20 13.288 1.347 2.806 1.00 0.00 C ATOM 253 C GLY A 20 12.787 2.777 2.984 1.00 0.00 C ATOM 254 O GLY A 20 12.849 3.562 2.035 1.00 0.00 O ATOM 0 H GLY A 20 12.896 0.581 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.241 0.804 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.331 1.343 2.488 1.00 0.00 H new ATOM 258 N ALA A 21 12.234 3.098 4.154 1.00 0.00 N ATOM 259 CA ALA A 21 11.511 4.330 4.442 1.00 0.00 C ATOM 260 C ALA A 21 11.936 4.906 5.801 1.00 0.00 C ATOM 261 O ALA A 21 12.835 4.391 6.461 1.00 0.00 O ATOM 262 CB ALA A 21 10.006 4.022 4.389 1.00 0.00 C ATOM 0 H ALA A 21 12.282 2.476 4.961 1.00 0.00 H new ATOM 0 HA ALA A 21 11.746 5.093 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.441 4.930 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.744 3.656 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.764 3.262 5.132 1.00 0.00 H new ATOM 268 N ALA A 22 11.268 5.978 6.250 1.00 0.00 N ATOM 269 CA ALA A 22 11.551 6.605 7.542 1.00 0.00 C ATOM 270 C ALA A 22 11.316 5.637 8.712 1.00 0.00 C ATOM 271 O ALA A 22 11.948 5.774 9.756 1.00 0.00 O ATOM 272 CB ALA A 22 10.691 7.862 7.707 1.00 0.00 C ATOM 0 H ALA A 22 10.519 6.431 5.727 1.00 0.00 H new ATOM 0 HA ALA A 22 12.605 6.881 7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.905 8.325 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.919 8.566 6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.636 7.590 7.662 1.00 0.00 H new ATOM 278 N SER A 23 10.404 4.673 8.545 1.00 0.00 N ATOM 279 CA SER A 23 10.130 3.616 9.511 1.00 0.00 C ATOM 280 C SER A 23 11.228 2.543 9.583 1.00 0.00 C ATOM 281 O SER A 23 11.200 1.739 10.515 1.00 0.00 O ATOM 282 CB SER A 23 8.798 2.953 9.140 1.00 0.00 C ATOM 283 OG SER A 23 7.788 3.931 8.966 1.00 0.00 O ATOM 0 H SER A 23 9.823 4.609 7.709 1.00 0.00 H new ATOM 0 HA SER A 23 10.091 4.082 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.915 2.376 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.503 2.253 9.922 1.00 0.00 H new ATOM 0 HG SER A 23 6.945 3.492 8.728 1.00 0.00 H new ATOM 289 N GLY A 24 12.166 2.504 8.628 1.00 0.00 N ATOM 290 CA GLY A 24 13.105 1.407 8.430 1.00 0.00 C ATOM 291 C GLY A 24 13.296 1.187 6.936 1.00 0.00 C ATOM 292 O GLY A 24 14.450 0.943 6.530 1.00 0.00 O ATOM 0 H GLY A 24 12.291 3.260 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.060 1.638 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.728 0.499 8.900 1.00 0.00 H new TER 296 GLY A 24