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+ -121:sc= 0.163 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00228 USER MOD Single : A 18 THR OG1 : rot -49:sc= 0.103 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00425 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.248 3.235 -5.456 1.00 0.00 N ATOM 2 CA ALA A 1 -10.154 3.675 -4.376 1.00 0.00 C ATOM 3 C ALA A 1 -10.407 2.523 -3.391 1.00 0.00 C ATOM 4 O ALA A 1 -9.808 1.464 -3.540 1.00 0.00 O ATOM 5 CB ALA A 1 -11.453 4.242 -4.969 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.399 3.835 -5.463 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.972 2.245 -5.296 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.735 3.314 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.684 4.480 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.112 4.563 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.220 5.094 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.950 3.472 -5.559 1.00 0.00 H new ATOM 13 N VAL A 2 -11.298 2.743 -2.420 1.00 0.00 N ATOM 14 CA VAL A 2 -11.672 2.045 -1.172 1.00 0.00 C ATOM 15 C VAL A 2 -11.732 0.503 -1.217 1.00 0.00 C ATOM 16 O VAL A 2 -11.732 -0.147 -0.178 1.00 0.00 O ATOM 17 CB VAL A 2 -13.048 2.611 -0.727 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.440 2.224 0.711 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.125 4.153 -0.809 1.00 0.00 C ATOM 0 H VAL A 2 -11.885 3.572 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.864 2.240 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.741 2.156 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.412 2.655 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.494 1.138 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.692 2.605 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.111 4.486 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.364 4.590 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.954 4.472 -1.837 1.00 0.00 H new ATOM 29 N GLY A 3 -11.777 -0.087 -2.404 1.00 0.00 N ATOM 30 CA GLY A 3 -11.531 -1.501 -2.635 1.00 0.00 C ATOM 31 C GLY A 3 -10.032 -1.756 -2.727 1.00 0.00 C ATOM 32 O GLY A 3 -9.318 -1.737 -1.728 1.00 0.00 O ATOM 0 H GLY A 3 -11.993 0.424 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.960 -2.091 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.020 -1.819 -3.556 1.00 0.00 H new ATOM 36 N ILE A 4 -9.542 -1.944 -3.955 1.00 0.00 N ATOM 37 CA ILE A 4 -8.158 -2.315 -4.240 1.00 0.00 C ATOM 38 C ILE A 4 -7.179 -1.306 -3.631 1.00 0.00 C ATOM 39 O ILE A 4 -6.135 -1.703 -3.116 1.00 0.00 O ATOM 40 CB ILE A 4 -7.956 -2.455 -5.769 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.958 -3.427 -6.439 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.514 -2.867 -6.118 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.948 -4.862 -5.893 1.00 0.00 C ATOM 0 H ILE A 4 -10.111 -1.840 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.949 -3.279 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.152 -1.462 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.963 -3.020 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.746 -3.461 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.412 -2.955 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.820 -2.112 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.287 -3.826 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.685 -5.460 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.958 -5.297 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.194 -4.849 -4.831 1.00 0.00 H new ATOM 55 N GLY A 5 -7.517 -0.011 -3.638 1.00 0.00 N ATOM 56 CA GLY A 5 -6.628 1.022 -3.128 1.00 0.00 C ATOM 57 C GLY A 5 -6.493 0.929 -1.614 1.00 0.00 C ATOM 58 O GLY A 5 -5.422 1.214 -1.083 1.00 0.00 O ATOM 0 H GLY A 5 -8.406 0.341 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.646 0.922 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.012 2.005 -3.403 1.00 0.00 H new ATOM 62 N ALA A 6 -7.555 0.491 -0.927 1.00 0.00 N ATOM 63 CA ALA A 6 -7.520 0.257 0.507 1.00 0.00 C ATOM 64 C ALA A 6 -6.622 -0.933 0.851 1.00 0.00 C ATOM 65 O ALA A 6 -5.979 -0.916 1.893 1.00 0.00 O ATOM 66 CB ALA A 6 -8.940 0.049 1.021 1.00 0.00 C ATOM 0 H ALA A 6 -8.458 0.291 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.093 1.130 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.916 -0.127 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.536 0.937 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.385 -0.812 0.523 1.00 0.00 H new ATOM 72 N LEU A 7 -6.514 -1.946 -0.017 1.00 0.00 N ATOM 73 CA LEU A 7 -5.498 -2.982 0.129 1.00 0.00 C ATOM 74 C LEU A 7 -4.123 -2.383 -0.107 1.00 0.00 C ATOM 75 O LEU A 7 -3.179 -2.681 0.607 1.00 0.00 O ATOM 76 CB LEU A 7 -5.701 -4.165 -0.842 1.00 0.00 C ATOM 77 CG LEU A 7 -7.157 -4.574 -1.101 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.211 -5.697 -2.144 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.879 -5.020 0.178 1.00 0.00 C ATOM 0 H LEU A 7 -7.121 -2.066 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.587 -3.370 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.240 -3.911 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.165 -5.029 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.674 -3.691 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.249 -5.980 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.766 -5.349 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.657 -6.561 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.905 -5.298 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.361 -5.878 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.884 -4.201 0.897 1.00 0.00 H new ATOM 91 N PHE A 8 -4.010 -1.537 -1.119 1.00 0.00 N ATOM 92 CA PHE A 8 -2.719 -1.087 -1.620 1.00 0.00 C ATOM 93 C PHE A 8 -1.993 -0.213 -0.605 1.00 0.00 C ATOM 94 O PHE A 8 -0.837 -0.459 -0.269 1.00 0.00 O ATOM 95 CB PHE A 8 -2.981 -0.253 -2.861 1.00 0.00 C ATOM 96 CG PHE A 8 -1.774 -0.119 -3.768 1.00 0.00 C ATOM 97 CD1 PHE A 8 -0.845 0.920 -3.566 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.556 -1.062 -4.792 1.00 0.00 C ATOM 99 CE1 PHE A 8 0.293 1.017 -4.386 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.418 -0.963 -5.612 1.00 0.00 C ATOM 101 CZ PHE A 8 0.506 0.077 -5.409 1.00 0.00 C ATOM 0 H PHE A 8 -4.809 -1.143 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.096 -1.957 -1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.800 -0.701 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.309 0.741 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.007 1.643 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.264 -1.862 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.004 1.815 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.254 -1.686 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.380 0.154 -6.039 1.00 0.00 H new ATOM 111 N LEU A 9 -2.708 0.784 -0.080 1.00 0.00 N ATOM 112 CA LEU A 9 -2.164 1.650 0.956 1.00 0.00 C ATOM 113 C LEU A 9 -2.321 0.997 2.323 1.00 0.00 C ATOM 114 O LEU A 9 -1.652 1.405 3.269 1.00 0.00 O ATOM 115 CB LEU A 9 -2.815 3.046 0.891 1.00 0.00 C ATOM 116 CG LEU A 9 -4.297 3.126 1.335 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.455 3.522 2.810 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.050 4.153 0.477 1.00 0.00 C ATOM 0 H LEU A 9 -3.664 1.008 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.097 1.790 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.233 3.726 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.743 3.411 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.712 2.127 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.514 3.562 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.958 2.784 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.005 4.501 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.091 4.201 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.588 5.133 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.006 3.854 -0.570 1.00 0.00 H new ATOM 130 N GLY A 10 -3.222 0.012 2.426 1.00 0.00 N ATOM 131 CA GLY A 10 -3.583 -0.560 3.723 1.00 0.00 C ATOM 132 C GLY A 10 -2.909 -1.898 3.964 1.00 0.00 C ATOM 133 O GLY A 10 -1.899 -1.980 4.655 1.00 0.00 O ATOM 0 H GLY A 10 -3.710 -0.401 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.303 0.134 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.665 -0.685 3.775 1.00 0.00 H new ATOM 137 N PHE A 11 -3.492 -2.950 3.393 1.00 0.00 N ATOM 138 CA PHE A 11 -3.065 -4.338 3.538 1.00 0.00 C ATOM 139 C PHE A 11 -1.587 -4.526 3.147 1.00 0.00 C ATOM 140 O PHE A 11 -0.808 -5.098 3.907 1.00 0.00 O ATOM 141 CB PHE A 11 -4.002 -5.202 2.674 1.00 0.00 C ATOM 142 CG PHE A 11 -3.779 -6.693 2.823 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.369 -7.391 3.894 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.971 -7.384 1.899 1.00 0.00 C ATOM 145 CE1 PHE A 11 -4.157 -8.774 4.037 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.759 -8.767 2.043 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.353 -9.462 3.111 1.00 0.00 C ATOM 0 H PHE A 11 -4.310 -2.853 2.791 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.132 -4.644 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.035 -4.972 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.869 -4.928 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.985 -6.864 4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.514 -6.851 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.612 -9.308 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.140 -9.295 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.192 -10.524 3.220 1.00 0.00 H new ATOM 157 N LEU A 12 -1.200 -4.002 1.982 1.00 0.00 N ATOM 158 CA LEU A 12 0.165 -3.939 1.475 1.00 0.00 C ATOM 159 C LEU A 12 0.953 -2.867 2.226 1.00 0.00 C ATOM 160 O LEU A 12 2.064 -3.147 2.665 1.00 0.00 O ATOM 161 CB LEU A 12 0.108 -3.662 -0.042 1.00 0.00 C ATOM 162 CG LEU A 12 1.399 -3.104 -0.679 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.548 -4.115 -0.606 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.137 -2.732 -2.144 1.00 0.00 C ATOM 0 H LEU A 12 -1.871 -3.588 1.334 1.00 0.00 H new ATOM 0 HA LEU A 12 0.682 -4.885 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.152 -4.590 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.701 -2.957 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 12 1.692 -2.218 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.439 -3.686 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.756 -4.355 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.267 -5.024 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.051 -2.339 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.818 -3.618 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.355 -1.974 -2.193 1.00 0.00 H new ATOM 176 N GLY A 13 0.402 -1.660 2.395 1.00 0.00 N ATOM 177 CA GLY A 13 1.176 -0.538 2.921 1.00 0.00 C ATOM 178 C GLY A 13 1.558 -0.720 4.393 1.00 0.00 C ATOM 179 O GLY A 13 2.606 -0.228 4.804 1.00 0.00 O ATOM 0 H GLY A 13 -0.569 -1.439 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.082 -0.417 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.598 0.380 2.811 1.00 0.00 H new ATOM 183 N ALA A 14 0.795 -1.500 5.168 1.00 0.00 N ATOM 184 CA ALA A 14 1.194 -1.941 6.501 1.00 0.00 C ATOM 185 C ALA A 14 2.474 -2.784 6.445 1.00 0.00 C ATOM 186 O ALA A 14 3.346 -2.625 7.295 1.00 0.00 O ATOM 187 CB ALA A 14 0.050 -2.735 7.140 1.00 0.00 C ATOM 0 H ALA A 14 -0.122 -1.843 4.882 1.00 0.00 H new ATOM 0 HA ALA A 14 1.407 -1.063 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.347 -3.065 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.834 -2.102 7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.178 -3.604 6.523 1.00 0.00 H new ATOM 193 N ALA A 15 2.607 -3.660 5.440 1.00 0.00 N ATOM 194 CA ALA A 15 3.843 -4.369 5.114 1.00 0.00 C ATOM 195 C ALA A 15 4.844 -3.537 4.313 1.00 0.00 C ATOM 196 O ALA A 15 5.803 -4.087 3.768 1.00 0.00 O ATOM 197 CB ALA A 15 3.532 -5.661 4.364 1.00 0.00 C ATOM 0 H ALA A 15 1.835 -3.899 4.817 1.00 0.00 H new ATOM 0 HA ALA A 15 4.319 -4.589 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.462 -6.178 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.909 -6.302 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.003 -5.427 3.440 1.00 0.00 H new ATOM 203 N GLY A 16 4.661 -2.221 4.250 1.00 0.00 N ATOM 204 CA GLY A 16 5.483 -1.299 3.477 1.00 0.00 C ATOM 205 C GLY A 16 6.833 -1.052 4.145 1.00 0.00 C ATOM 206 O GLY A 16 7.369 0.047 4.049 1.00 0.00 O ATOM 0 H GLY A 16 3.909 -1.752 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.640 -1.702 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.956 -0.352 3.360 1.00 0.00 H new ATOM 210 N SER A 17 7.383 -2.062 4.829 1.00 0.00 N ATOM 211 CA SER A 17 8.551 -1.937 5.695 1.00 0.00 C ATOM 212 C SER A 17 9.809 -1.535 4.915 1.00 0.00 C ATOM 213 O SER A 17 10.691 -0.874 5.458 1.00 0.00 O ATOM 214 CB SER A 17 8.784 -3.277 6.402 1.00 0.00 C ATOM 215 OG SER A 17 7.575 -3.771 6.949 1.00 0.00 O ATOM 0 H SER A 17 7.015 -3.012 4.791 1.00 0.00 H new ATOM 0 HA SER A 17 8.356 -1.147 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.192 -4.000 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.523 -3.153 7.193 1.00 0.00 H new ATOM 0 HG SER A 17 7.743 -4.627 7.395 1.00 0.00 H new ATOM 221 N THR A 18 9.880 -1.894 3.629 1.00 0.00 N ATOM 222 CA THR A 18 10.957 -1.547 2.706 1.00 0.00 C ATOM 223 C THR A 18 10.741 -0.128 2.135 1.00 0.00 C ATOM 224 O THR A 18 10.815 0.081 0.926 1.00 0.00 O ATOM 225 CB THR A 18 11.107 -2.699 1.680 1.00 0.00 C ATOM 226 OG1 THR A 18 12.195 -2.520 0.795 1.00 0.00 O ATOM 227 CG2 THR A 18 9.850 -2.979 0.843 1.00 0.00 C ATOM 0 H THR A 18 9.155 -2.459 3.187 1.00 0.00 H new ATOM 0 HA THR A 18 11.925 -1.470 3.201 1.00 0.00 H new ATOM 0 HB THR A 18 11.290 -3.563 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.163 -1.617 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.047 -3.800 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.026 -3.250 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.583 -2.086 0.278 1.00 0.00 H new ATOM 235 N VAL A 19 10.440 0.838 3.014 1.00 0.00 N ATOM 236 CA VAL A 19 10.371 2.267 2.700 1.00 0.00 C ATOM 237 C VAL A 19 11.542 2.740 1.823 1.00 0.00 C ATOM 238 O VAL A 19 12.671 2.269 1.978 1.00 0.00 O ATOM 239 CB VAL A 19 10.229 3.129 3.975 1.00 0.00 C ATOM 240 CG1 VAL A 19 8.893 2.869 4.685 1.00 0.00 C ATOM 241 CG2 VAL A 19 11.376 2.928 4.982 1.00 0.00 C ATOM 0 H VAL A 19 10.232 0.638 3.992 1.00 0.00 H new ATOM 0 HA VAL A 19 9.466 2.406 2.108 1.00 0.00 H new ATOM 0 HB VAL A 19 10.269 4.160 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.828 3.492 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.070 3.111 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.831 1.819 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.212 3.564 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.406 1.884 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.323 3.194 4.512 1.00 0.00 H new ATOM 251 N GLY A 20 11.281 3.717 0.951 1.00 0.00 N ATOM 252 CA GLY A 20 12.280 4.355 0.106 1.00 0.00 C ATOM 253 C GLY A 20 12.911 5.547 0.819 1.00 0.00 C ATOM 254 O GLY A 20 14.130 5.606 0.979 1.00 0.00 O ATOM 0 H GLY A 20 10.343 4.092 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.053 3.634 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.819 4.685 -0.825 1.00 0.00 H new ATOM 258 N ALA A 21 12.081 6.505 1.235 1.00 0.00 N ATOM 259 CA ALA A 21 12.464 7.726 1.931 1.00 0.00 C ATOM 260 C ALA A 21 11.359 8.120 2.924 1.00 0.00 C ATOM 261 O ALA A 21 10.400 7.379 3.134 1.00 0.00 O ATOM 262 CB ALA A 21 12.721 8.826 0.888 1.00 0.00 C ATOM 0 H ALA A 21 11.074 6.443 1.086 1.00 0.00 H new ATOM 0 HA ALA A 21 13.379 7.576 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.009 9.747 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.523 8.513 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.813 8.998 0.310 1.00 0.00 H new ATOM 268 N ALA A 22 11.459 9.320 3.510 1.00 0.00 N ATOM 269 CA ALA A 22 10.432 9.857 4.404 1.00 0.00 C ATOM 270 C ALA A 22 9.086 10.019 3.679 1.00 0.00 C ATOM 271 O ALA A 22 8.036 9.936 4.309 1.00 0.00 O ATOM 272 CB ALA A 22 10.903 11.198 4.976 1.00 0.00 C ATOM 0 H ALA A 22 12.255 9.944 3.376 1.00 0.00 H new ATOM 0 HA ALA A 22 10.278 9.151 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.138 11.598 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.828 11.051 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.078 11.900 4.161 1.00 0.00 H new ATOM 278 N SER A 23 9.121 10.239 2.360 1.00 0.00 N ATOM 279 CA SER A 23 7.965 10.296 1.475 1.00 0.00 C ATOM 280 C SER A 23 7.212 8.962 1.346 1.00 0.00 C ATOM 281 O SER A 23 6.094 8.962 0.831 1.00 0.00 O ATOM 282 CB SER A 23 8.451 10.709 0.079 1.00 0.00 C ATOM 283 OG SER A 23 9.389 11.771 0.150 1.00 0.00 O ATOM 0 H SER A 23 9.999 10.388 1.863 1.00 0.00 H new ATOM 0 HA SER A 23 7.268 11.013 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.906 9.852 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.599 11.014 -0.529 1.00 0.00 H new ATOM 0 HG SER A 23 9.681 12.010 -0.754 1.00 0.00 H new ATOM 289 N GLY A 24 7.816 7.841 1.760 1.00 0.00 N ATOM 290 CA GLY A 24 7.393 6.491 1.415 1.00 0.00 C ATOM 291 C GLY A 24 8.597 5.709 0.912 1.00 0.00 C ATOM 292 O GLY A 24 8.637 4.489 1.160 1.00 0.00 O ATOM 0 H GLY A 24 8.638 7.856 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.960 5.998 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.618 6.523 0.649 1.00 0.00 H new TER 296 GLY A 24