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+ 135:sc= 0.0669 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 23 SER OG : rot -32:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.822 5.665 -0.544 1.00 0.00 N ATOM 2 CA ALA A 1 -9.415 4.269 -0.793 1.00 0.00 C ATOM 3 C ALA A 1 -10.561 3.355 -0.364 1.00 0.00 C ATOM 4 O ALA A 1 -11.142 3.625 0.683 1.00 0.00 O ATOM 5 CB ALA A 1 -8.130 3.956 -0.019 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.040 6.179 -0.090 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.060 6.123 -1.447 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.653 5.678 0.081 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.207 4.110 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.834 2.924 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.335 4.626 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.305 4.095 1.048 1.00 0.00 H new ATOM 13 N VAL A 2 -10.929 2.347 -1.174 1.00 0.00 N ATOM 14 CA VAL A 2 -12.128 1.532 -0.931 1.00 0.00 C ATOM 15 C VAL A 2 -11.858 0.039 -1.186 1.00 0.00 C ATOM 16 O VAL A 2 -11.826 -0.733 -0.235 1.00 0.00 O ATOM 17 CB VAL A 2 -13.345 2.062 -1.739 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.633 1.314 -1.357 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.597 3.567 -1.537 1.00 0.00 C ATOM 0 H VAL A 2 -10.408 2.077 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.386 1.625 0.124 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.091 1.887 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.468 1.706 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.512 0.251 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.833 1.454 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.460 3.874 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.790 3.765 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.720 4.129 -1.857 1.00 0.00 H new ATOM 29 N GLY A 3 -11.756 -0.385 -2.453 1.00 0.00 N ATOM 30 CA GLY A 3 -11.483 -1.754 -2.857 1.00 0.00 C ATOM 31 C GLY A 3 -9.990 -2.045 -2.834 1.00 0.00 C ATOM 32 O GLY A 3 -9.326 -1.983 -1.803 1.00 0.00 O ATOM 0 H GLY A 3 -11.867 0.246 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.001 -2.443 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.875 -1.925 -3.860 1.00 0.00 H new ATOM 36 N ILE A 4 -9.443 -2.271 -4.030 1.00 0.00 N ATOM 37 CA ILE A 4 -8.032 -2.606 -4.235 1.00 0.00 C ATOM 38 C ILE A 4 -7.133 -1.496 -3.674 1.00 0.00 C ATOM 39 O ILE A 4 -6.077 -1.776 -3.113 1.00 0.00 O ATOM 40 CB ILE A 4 -7.751 -2.887 -5.733 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.696 -3.951 -6.345 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.284 -3.293 -5.970 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.706 -5.314 -5.638 1.00 0.00 C ATOM 0 H ILE A 4 -9.977 -2.226 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.799 -3.520 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.948 -1.945 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.711 -3.554 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.415 -4.104 -7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.126 -3.482 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.626 -2.488 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.061 -4.197 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.400 -5.983 -6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.705 -5.744 -5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.020 -5.184 -4.602 1.00 0.00 H new ATOM 55 N GLY A 5 -7.586 -0.241 -3.743 1.00 0.00 N ATOM 56 CA GLY A 5 -6.857 0.912 -3.234 1.00 0.00 C ATOM 57 C GLY A 5 -6.727 0.872 -1.713 1.00 0.00 C ATOM 58 O GLY A 5 -5.736 1.358 -1.171 1.00 0.00 O ATOM 0 H GLY A 5 -8.484 0.001 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.864 0.942 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.370 1.827 -3.531 1.00 0.00 H new ATOM 62 N ALA A 6 -7.715 0.298 -1.015 1.00 0.00 N ATOM 63 CA ALA A 6 -7.627 0.074 0.418 1.00 0.00 C ATOM 64 C ALA A 6 -6.584 -0.991 0.745 1.00 0.00 C ATOM 65 O ALA A 6 -5.927 -0.885 1.773 1.00 0.00 O ATOM 66 CB ALA A 6 -9.001 -0.295 0.967 1.00 0.00 C ATOM 0 H ALA A 6 -8.590 -0.020 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.301 0.995 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.930 -0.462 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.701 0.517 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.355 -1.204 0.481 1.00 0.00 H new ATOM 72 N LEU A 7 -6.376 -1.989 -0.121 1.00 0.00 N ATOM 73 CA LEU A 7 -5.250 -2.906 0.018 1.00 0.00 C ATOM 74 C LEU A 7 -3.953 -2.158 -0.245 1.00 0.00 C ATOM 75 O LEU A 7 -2.970 -2.348 0.451 1.00 0.00 O ATOM 76 CB LEU A 7 -5.342 -4.116 -0.937 1.00 0.00 C ATOM 77 CG LEU A 7 -6.752 -4.682 -1.154 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.717 -5.788 -2.216 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.371 -5.228 0.140 1.00 0.00 C ATOM 0 H LEU A 7 -6.975 -2.178 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.275 -3.293 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.934 -3.825 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.706 -4.912 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.379 -3.858 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.722 -6.183 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.347 -5.378 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.057 -6.590 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.368 -5.616 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.745 -6.029 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.441 -4.427 0.876 1.00 0.00 H new ATOM 91 N PHE A 8 -3.957 -1.299 -1.251 1.00 0.00 N ATOM 92 CA PHE A 8 -2.757 -0.641 -1.761 1.00 0.00 C ATOM 93 C PHE A 8 -2.136 0.299 -0.734 1.00 0.00 C ATOM 94 O PHE A 8 -0.944 0.263 -0.448 1.00 0.00 O ATOM 95 CB PHE A 8 -3.190 0.200 -2.949 1.00 0.00 C ATOM 96 CG PHE A 8 -2.086 0.479 -3.950 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.158 1.513 -3.713 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.967 -0.314 -5.107 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.118 1.750 -4.629 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.928 -0.073 -6.025 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.003 0.958 -5.785 1.00 0.00 C ATOM 0 H PHE A 8 -4.807 -1.032 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.018 -1.401 -2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.008 -0.308 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.582 1.149 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.246 2.124 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.675 -1.109 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.593 2.541 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.841 -0.680 -6.914 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.796 1.142 -6.488 1.00 0.00 H new ATOM 111 N LEU A 9 -2.987 1.147 -0.167 1.00 0.00 N ATOM 112 CA LEU A 9 -2.621 2.035 0.911 1.00 0.00 C ATOM 113 C LEU A 9 -2.451 1.192 2.168 1.00 0.00 C ATOM 114 O LEU A 9 -1.574 1.449 2.984 1.00 0.00 O ATOM 115 CB LEU A 9 -3.757 3.068 1.067 1.00 0.00 C ATOM 116 CG LEU A 9 -3.797 3.763 2.437 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.561 4.644 2.667 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.060 4.625 2.557 1.00 0.00 C ATOM 0 H LEU A 9 -3.962 1.232 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.688 2.565 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.652 3.826 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.711 2.569 0.898 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.806 2.981 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.629 5.117 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.662 4.029 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.513 5.413 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.077 5.112 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.060 5.382 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.943 3.994 2.451 1.00 0.00 H new ATOM 130 N GLY A 10 -3.351 0.227 2.334 1.00 0.00 N ATOM 131 CA GLY A 10 -3.622 -0.331 3.658 1.00 0.00 C ATOM 132 C GLY A 10 -2.852 -1.616 3.906 1.00 0.00 C ATOM 133 O GLY A 10 -1.926 -1.638 4.709 1.00 0.00 O ATOM 0 H GLY A 10 -3.900 -0.182 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.358 0.402 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.690 -0.524 3.758 1.00 0.00 H new ATOM 137 N PHE A 11 -3.244 -2.690 3.225 1.00 0.00 N ATOM 138 CA PHE A 11 -2.643 -4.013 3.351 1.00 0.00 C ATOM 139 C PHE A 11 -1.151 -3.988 2.968 1.00 0.00 C ATOM 140 O PHE A 11 -0.295 -4.441 3.729 1.00 0.00 O ATOM 141 CB PHE A 11 -3.450 -4.972 2.455 1.00 0.00 C ATOM 142 CG PHE A 11 -3.024 -6.422 2.558 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.544 -7.241 3.578 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.097 -6.952 1.639 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.141 -8.585 3.677 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.694 -8.295 1.740 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.216 -9.112 2.759 1.00 0.00 C ATOM 0 H PHE A 11 -4.010 -2.662 2.552 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.680 -4.353 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.505 -4.895 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.355 -4.650 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.253 -6.837 4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.696 -6.326 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.543 -9.213 4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.983 -8.700 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.906 -10.144 2.836 1.00 0.00 H new ATOM 157 N LEU A 12 -0.840 -3.394 1.812 1.00 0.00 N ATOM 158 CA LEU A 12 0.502 -3.166 1.296 1.00 0.00 C ATOM 159 C LEU A 12 1.236 -2.160 2.183 1.00 0.00 C ATOM 160 O LEU A 12 2.372 -2.432 2.557 1.00 0.00 O ATOM 161 CB LEU A 12 0.408 -2.735 -0.183 1.00 0.00 C ATOM 162 CG LEU A 12 1.599 -1.931 -0.748 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.899 -2.744 -0.757 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.302 -1.489 -2.189 1.00 0.00 C ATOM 0 H LEU A 12 -1.561 -3.042 1.181 1.00 0.00 H new ATOM 0 HA LEU A 12 1.092 -4.082 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.283 -3.631 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.495 -2.137 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 12 1.731 -1.068 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.706 -2.135 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.148 -3.044 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.768 -3.632 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.148 -0.923 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.136 -2.368 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.410 -0.862 -2.201 1.00 0.00 H new ATOM 176 N GLY A 13 0.608 -1.039 2.566 1.00 0.00 N ATOM 177 CA GLY A 13 1.306 -0.035 3.367 1.00 0.00 C ATOM 178 C GLY A 13 1.610 -0.525 4.785 1.00 0.00 C ATOM 179 O GLY A 13 2.672 -0.202 5.313 1.00 0.00 O ATOM 0 H GLY A 13 -0.360 -0.811 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.238 0.236 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.699 0.869 3.421 1.00 0.00 H new ATOM 183 N ALA A 14 0.754 -1.366 5.382 1.00 0.00 N ATOM 184 CA ALA A 14 1.050 -2.038 6.645 1.00 0.00 C ATOM 185 C ALA A 14 2.281 -2.940 6.505 1.00 0.00 C ATOM 186 O ALA A 14 3.135 -2.951 7.387 1.00 0.00 O ATOM 187 CB ALA A 14 -0.166 -2.845 7.112 1.00 0.00 C ATOM 0 H ALA A 14 -0.163 -1.597 4.999 1.00 0.00 H new ATOM 0 HA ALA A 14 1.273 -1.281 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.067 -3.341 8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.014 -2.175 7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.417 -3.593 6.360 1.00 0.00 H new ATOM 193 N ALA A 15 2.399 -3.664 5.384 1.00 0.00 N ATOM 194 CA ALA A 15 3.605 -4.400 5.009 1.00 0.00 C ATOM 195 C ALA A 15 4.702 -3.536 4.391 1.00 0.00 C ATOM 196 O ALA A 15 5.636 -4.070 3.788 1.00 0.00 O ATOM 197 CB ALA A 15 3.262 -5.544 4.064 1.00 0.00 C ATOM 0 H ALA A 15 1.644 -3.754 4.704 1.00 0.00 H new ATOM 0 HA ALA A 15 4.009 -4.787 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.172 -6.080 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.570 -6.227 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.798 -5.144 3.162 1.00 0.00 H new ATOM 203 N GLY A 16 4.622 -2.214 4.529 1.00 0.00 N ATOM 204 CA GLY A 16 5.475 -1.252 3.843 1.00 0.00 C ATOM 205 C GLY A 16 6.879 -1.196 4.441 1.00 0.00 C ATOM 206 O GLY A 16 7.529 -0.158 4.374 1.00 0.00 O ATOM 0 H GLY A 16 3.938 -1.771 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.542 -1.516 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.020 -0.263 3.896 1.00 0.00 H new ATOM 210 N SER A 17 7.351 -2.304 5.019 1.00 0.00 N ATOM 211 CA SER A 17 8.626 -2.408 5.722 1.00 0.00 C ATOM 212 C SER A 17 9.836 -2.236 4.792 1.00 0.00 C ATOM 213 O SER A 17 10.939 -1.979 5.270 1.00 0.00 O ATOM 214 CB SER A 17 8.694 -3.778 6.409 1.00 0.00 C ATOM 215 OG SER A 17 7.499 -4.050 7.120 1.00 0.00 O ATOM 0 H SER A 17 6.834 -3.183 5.008 1.00 0.00 H new ATOM 0 HA SER A 17 8.673 -1.599 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.862 -4.555 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.542 -3.804 7.093 1.00 0.00 H new ATOM 0 HG SER A 17 7.566 -4.929 7.548 1.00 0.00 H new ATOM 221 N THR A 18 9.648 -2.422 3.482 1.00 0.00 N ATOM 222 CA THR A 18 10.677 -2.358 2.452 1.00 0.00 C ATOM 223 C THR A 18 10.816 -0.934 1.902 1.00 0.00 C ATOM 224 O THR A 18 11.891 -0.343 1.974 1.00 0.00 O ATOM 225 CB THR A 18 10.308 -3.360 1.340 1.00 0.00 C ATOM 226 OG1 THR A 18 8.929 -3.239 1.016 1.00 0.00 O ATOM 227 CG2 THR A 18 10.575 -4.806 1.775 1.00 0.00 C ATOM 0 H THR A 18 8.727 -2.631 3.097 1.00 0.00 H new ATOM 0 HA THR A 18 11.646 -2.624 2.875 1.00 0.00 H new ATOM 0 HB THR A 18 10.928 -3.128 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.702 -3.877 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.304 -5.485 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.633 -4.926 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.979 -5.036 2.658 1.00 0.00 H new ATOM 235 N VAL A 19 9.748 -0.435 1.268 1.00 0.00 N ATOM 236 CA VAL A 19 9.614 0.905 0.703 1.00 0.00 C ATOM 237 C VAL A 19 10.147 2.012 1.624 1.00 0.00 C ATOM 238 O VAL A 19 10.004 1.952 2.847 1.00 0.00 O ATOM 239 CB VAL A 19 8.159 1.166 0.250 1.00 0.00 C ATOM 240 CG1 VAL A 19 7.758 0.217 -0.891 1.00 0.00 C ATOM 241 CG2 VAL A 19 7.127 1.038 1.380 1.00 0.00 C ATOM 0 H VAL A 19 8.906 -0.993 1.130 1.00 0.00 H new ATOM 0 HA VAL A 19 10.253 0.940 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 19 8.149 2.201 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.730 0.422 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.421 0.371 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.838 -0.815 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.130 1.235 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.162 0.029 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.356 1.759 2.165 1.00 0.00 H new ATOM 251 N GLY A 20 10.613 3.116 1.026 1.00 0.00 N ATOM 252 CA GLY A 20 10.983 4.349 1.722 1.00 0.00 C ATOM 253 C GLY A 20 9.769 5.145 2.215 1.00 0.00 C ATOM 254 O GLY A 20 9.792 6.370 2.171 1.00 0.00 O ATOM 0 H GLY A 20 10.746 3.175 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.619 4.103 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.573 4.975 1.053 1.00 0.00 H new ATOM 258 N ALA A 21 8.715 4.446 2.646 1.00 0.00 N ATOM 259 CA ALA A 21 7.451 4.975 3.142 1.00 0.00 C ATOM 260 C ALA A 21 6.960 4.155 4.350 1.00 0.00 C ATOM 261 O ALA A 21 5.771 4.142 4.660 1.00 0.00 O ATOM 262 CB ALA A 21 6.427 4.995 1.999 1.00 0.00 C ATOM 0 H ALA A 21 8.728 3.426 2.656 1.00 0.00 H new ATOM 0 HA ALA A 21 7.589 5.998 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.480 5.390 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.796 5.627 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.277 3.982 1.627 1.00 0.00 H new ATOM 268 N ALA A 22 7.865 3.436 5.032 1.00 0.00 N ATOM 269 CA ALA A 22 7.536 2.579 6.170 1.00 0.00 C ATOM 270 C ALA A 22 6.932 3.366 7.344 1.00 0.00 C ATOM 271 O ALA A 22 6.165 2.812 8.128 1.00 0.00 O ATOM 272 CB ALA A 22 8.799 1.830 6.612 1.00 0.00 C ATOM 0 H ALA A 22 8.859 3.437 4.801 1.00 0.00 H new ATOM 0 HA ALA A 22 6.773 1.869 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.563 1.188 7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.168 1.220 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.565 2.549 6.903 1.00 0.00 H new ATOM 278 N SER A 23 7.290 4.649 7.478 1.00 0.00 N ATOM 279 CA SER A 23 6.713 5.583 8.442 1.00 0.00 C ATOM 280 C SER A 23 5.348 6.138 8.001 1.00 0.00 C ATOM 281 O SER A 23 4.753 6.904 8.765 1.00 0.00 O ATOM 282 CB SER A 23 7.690 6.746 8.661 1.00 0.00 C ATOM 283 OG SER A 23 7.229 7.568 9.716 1.00 0.00 O ATOM 0 H SER A 23 8.013 5.075 6.898 1.00 0.00 H new ATOM 0 HA SER A 23 6.547 5.031 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.682 6.360 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.784 7.331 7.746 1.00 0.00 H new ATOM 0 HG SER A 23 6.249 7.565 9.729 1.00 0.00 H new ATOM 289 N GLY A 24 4.935 5.887 6.756 1.00 0.00 N ATOM 290 CA GLY A 24 4.271 6.877 5.925 1.00 0.00 C ATOM 291 C GLY A 24 5.307 7.432 4.950 1.00 0.00 C ATOM 292 O GLY A 24 6.519 7.295 5.248 1.00 0.00 O ATOM 0 H GLY A 24 5.056 4.983 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.439 6.427 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.856 7.676 6.539 1.00 0.00 H new TER 296 GLY A 24