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+ -167:sc= 1.24 (180deg=1.14) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 18 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 23 SER OG : rot -32:sc= 0.741 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.533 4.199 -0.639 1.00 0.00 N ATOM 2 CA ALA A 1 -8.914 4.296 -1.154 1.00 0.00 C ATOM 3 C ALA A 1 -9.770 3.225 -0.471 1.00 0.00 C ATOM 4 O ALA A 1 -9.540 3.008 0.715 1.00 0.00 O ATOM 5 CB ALA A 1 -8.949 4.274 -2.688 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.998 5.045 -0.920 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.553 4.131 0.399 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.074 3.353 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.352 5.261 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.982 4.347 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.378 5.117 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.513 3.342 -3.049 1.00 0.00 H new ATOM 13 N VAL A 2 -10.743 2.595 -1.155 1.00 0.00 N ATOM 14 CA VAL A 2 -11.853 1.897 -0.490 1.00 0.00 C ATOM 15 C VAL A 2 -11.939 0.402 -0.843 1.00 0.00 C ATOM 16 O VAL A 2 -12.075 -0.410 0.068 1.00 0.00 O ATOM 17 CB VAL A 2 -13.183 2.643 -0.765 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.354 2.035 0.024 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.090 4.136 -0.397 1.00 0.00 C ATOM 0 H VAL A 2 -10.780 2.557 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.654 1.916 0.582 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.364 2.537 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.267 2.587 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.483 0.991 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.143 2.095 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.043 4.622 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.856 4.236 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.305 4.608 -0.988 1.00 0.00 H new ATOM 29 N GLY A 3 -11.932 0.019 -2.128 1.00 0.00 N ATOM 30 CA GLY A 3 -11.931 -1.374 -2.549 1.00 0.00 C ATOM 31 C GLY A 3 -10.514 -1.932 -2.535 1.00 0.00 C ATOM 32 O GLY A 3 -9.817 -1.936 -1.526 1.00 0.00 O ATOM 0 H GLY A 3 -11.927 0.680 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.566 -1.961 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.352 -1.458 -3.551 1.00 0.00 H new ATOM 36 N ILE A 4 -10.038 -2.292 -3.727 1.00 0.00 N ATOM 37 CA ILE A 4 -8.679 -2.810 -3.933 1.00 0.00 C ATOM 38 C ILE A 4 -7.652 -1.730 -3.549 1.00 0.00 C ATOM 39 O ILE A 4 -6.581 -2.016 -3.020 1.00 0.00 O ATOM 40 CB ILE A 4 -8.505 -3.293 -5.394 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.589 -4.299 -5.850 1.00 0.00 C ATOM 42 CG2 ILE A 4 -7.109 -3.897 -5.621 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.701 -5.578 -5.008 1.00 0.00 C ATOM 0 H ILE A 4 -10.586 -2.233 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.510 -3.673 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.621 -2.399 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.555 -3.794 -5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.386 -4.582 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.019 -4.226 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.349 -3.144 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.969 -4.749 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.489 -6.212 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.753 -6.115 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.940 -5.315 -3.978 1.00 0.00 H new ATOM 55 N GLY A 5 -8.027 -0.467 -3.750 1.00 0.00 N ATOM 56 CA GLY A 5 -7.258 0.709 -3.401 1.00 0.00 C ATOM 57 C GLY A 5 -7.186 0.959 -1.894 1.00 0.00 C ATOM 58 O GLY A 5 -6.364 1.771 -1.467 1.00 0.00 O ATOM 0 H GLY A 5 -8.921 -0.234 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.247 0.603 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.699 1.580 -3.886 1.00 0.00 H new ATOM 62 N ALA A 6 -8.044 0.331 -1.077 1.00 0.00 N ATOM 63 CA ALA A 6 -7.785 0.220 0.352 1.00 0.00 C ATOM 64 C ALA A 6 -6.604 -0.712 0.586 1.00 0.00 C ATOM 65 O ALA A 6 -5.720 -0.387 1.370 1.00 0.00 O ATOM 66 CB ALA A 6 -9.013 -0.284 1.105 1.00 0.00 C ATOM 0 H ALA A 6 -8.915 -0.102 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.548 1.213 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.784 -0.355 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.841 0.410 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.293 -1.268 0.728 1.00 0.00 H new ATOM 72 N LEU A 7 -6.570 -1.858 -0.103 1.00 0.00 N ATOM 73 CA LEU A 7 -5.537 -2.873 0.096 1.00 0.00 C ATOM 74 C LEU A 7 -4.192 -2.323 -0.345 1.00 0.00 C ATOM 75 O LEU A 7 -3.189 -2.527 0.322 1.00 0.00 O ATOM 76 CB LEU A 7 -5.830 -4.176 -0.679 1.00 0.00 C ATOM 77 CG LEU A 7 -7.304 -4.603 -0.700 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.485 -5.852 -1.571 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.858 -4.871 0.706 1.00 0.00 C ATOM 0 H LEU A 7 -7.259 -2.105 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.525 -3.116 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.488 -4.054 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.241 -4.981 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.867 -3.771 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.535 -6.143 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.164 -5.635 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.885 -6.667 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.904 -5.170 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.284 -5.669 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.780 -3.965 1.307 1.00 0.00 H new ATOM 91 N PHE A 8 -4.193 -1.584 -1.446 1.00 0.00 N ATOM 92 CA PHE A 8 -2.994 -0.971 -2.011 1.00 0.00 C ATOM 93 C PHE A 8 -2.297 -0.040 -1.024 1.00 0.00 C ATOM 94 O PHE A 8 -1.089 -0.103 -0.818 1.00 0.00 O ATOM 95 CB PHE A 8 -3.448 -0.069 -3.154 1.00 0.00 C ATOM 96 CG PHE A 8 -3.746 -0.694 -4.510 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.569 -2.072 -4.766 1.00 0.00 C ATOM 98 CD2 PHE A 8 -4.175 0.147 -5.556 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.801 -2.589 -6.052 1.00 0.00 C ATOM 100 CE2 PHE A 8 -4.427 -0.376 -6.837 1.00 0.00 C ATOM 101 CZ PHE A 8 -4.235 -1.745 -7.088 1.00 0.00 C ATOM 0 H PHE A 8 -5.039 -1.389 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.316 -1.773 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.348 0.451 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.678 0.688 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.254 -2.731 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.312 1.202 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.645 -3.640 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.768 0.275 -7.628 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.420 -2.147 -8.073 1.00 0.00 H new ATOM 111 N LEU A 9 -3.084 0.849 -0.428 1.00 0.00 N ATOM 112 CA LEU A 9 -2.566 1.846 0.493 1.00 0.00 C ATOM 113 C LEU A 9 -2.304 1.183 1.842 1.00 0.00 C ATOM 114 O LEU A 9 -1.368 1.528 2.555 1.00 0.00 O ATOM 115 CB LEU A 9 -3.623 2.966 0.588 1.00 0.00 C ATOM 116 CG LEU A 9 -3.537 3.842 1.849 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.247 4.674 1.897 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.744 4.789 1.896 1.00 0.00 C ATOM 0 H LEU A 9 -4.093 0.897 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.622 2.274 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.529 3.608 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.614 2.513 0.546 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.534 3.173 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.235 5.275 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.384 4.008 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.205 5.331 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.684 5.411 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.742 5.425 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.664 4.205 1.921 1.00 0.00 H new ATOM 130 N GLY A 10 -3.189 0.258 2.185 1.00 0.00 N ATOM 131 CA GLY A 10 -3.380 -0.223 3.546 1.00 0.00 C ATOM 132 C GLY A 10 -2.698 -1.561 3.773 1.00 0.00 C ATOM 133 O GLY A 10 -1.696 -1.636 4.476 1.00 0.00 O ATOM 0 H GLY A 10 -3.808 -0.189 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.985 0.510 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.446 -0.319 3.751 1.00 0.00 H new ATOM 137 N PHE A 11 -3.254 -2.622 3.188 1.00 0.00 N ATOM 138 CA PHE A 11 -2.786 -3.995 3.352 1.00 0.00 C ATOM 139 C PHE A 11 -1.335 -4.146 2.863 1.00 0.00 C ATOM 140 O PHE A 11 -0.479 -4.654 3.584 1.00 0.00 O ATOM 141 CB PHE A 11 -3.756 -4.917 2.591 1.00 0.00 C ATOM 142 CG PHE A 11 -3.536 -6.395 2.844 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.155 -7.021 3.943 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.717 -7.148 1.980 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.958 -8.393 4.176 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.520 -8.520 2.214 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.141 -9.144 3.311 1.00 0.00 C ATOM 0 H PHE A 11 -4.063 -2.547 2.571 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.777 -4.273 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.778 -4.660 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.660 -4.724 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.782 -6.446 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.240 -6.671 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.434 -8.871 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.891 -9.096 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.991 -10.199 3.489 1.00 0.00 H new ATOM 157 N LEU A 12 -1.054 -3.646 1.656 1.00 0.00 N ATOM 158 CA LEU A 12 0.273 -3.545 1.063 1.00 0.00 C ATOM 159 C LEU A 12 1.121 -2.541 1.844 1.00 0.00 C ATOM 160 O LEU A 12 2.253 -2.864 2.191 1.00 0.00 O ATOM 161 CB LEU A 12 0.124 -3.180 -0.429 1.00 0.00 C ATOM 162 CG LEU A 12 1.346 -2.514 -1.099 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.562 -3.446 -1.131 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.002 -2.110 -2.540 1.00 0.00 C ATOM 0 H LEU A 12 -1.783 -3.285 1.041 1.00 0.00 H new ATOM 0 HA LEU A 12 0.797 -4.499 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.115 -4.089 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.730 -2.510 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 12 1.597 -1.636 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.398 -2.937 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.839 -3.718 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.315 -4.347 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.870 -1.641 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.721 -2.996 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.170 -1.405 -2.532 1.00 0.00 H new ATOM 176 N GLY A 13 0.595 -1.351 2.159 1.00 0.00 N ATOM 177 CA GLY A 13 1.407 -0.305 2.775 1.00 0.00 C ATOM 178 C GLY A 13 1.825 -0.654 4.205 1.00 0.00 C ATOM 179 O GLY A 13 2.909 -0.258 4.623 1.00 0.00 O ATOM 0 H GLY A 13 -0.379 -1.094 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.298 -0.138 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.846 0.630 2.782 1.00 0.00 H new ATOM 183 N ALA A 14 1.049 -1.468 4.930 1.00 0.00 N ATOM 184 CA ALA A 14 1.472 -2.038 6.204 1.00 0.00 C ATOM 185 C ALA A 14 2.718 -2.916 6.025 1.00 0.00 C ATOM 186 O ALA A 14 3.629 -2.856 6.849 1.00 0.00 O ATOM 187 CB ALA A 14 0.321 -2.839 6.819 1.00 0.00 C ATOM 0 H ALA A 14 0.110 -1.747 4.645 1.00 0.00 H new ATOM 0 HA ALA A 14 1.737 -1.227 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.641 -3.263 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.533 -2.182 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.034 -3.643 6.141 1.00 0.00 H new ATOM 193 N ALA A 15 2.787 -3.697 4.938 1.00 0.00 N ATOM 194 CA ALA A 15 3.991 -4.410 4.517 1.00 0.00 C ATOM 195 C ALA A 15 5.008 -3.541 3.771 1.00 0.00 C ATOM 196 O ALA A 15 5.974 -4.059 3.213 1.00 0.00 O ATOM 197 CB ALA A 15 3.616 -5.641 3.694 1.00 0.00 C ATOM 0 H ALA A 15 1.991 -3.851 4.319 1.00 0.00 H new ATOM 0 HA ALA A 15 4.494 -4.720 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.522 -6.163 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.000 -6.308 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.058 -5.332 2.810 1.00 0.00 H new ATOM 203 N GLY A 16 4.859 -2.220 3.822 1.00 0.00 N ATOM 204 CA GLY A 16 5.847 -1.248 3.374 1.00 0.00 C ATOM 205 C GLY A 16 6.985 -1.137 4.389 1.00 0.00 C ATOM 206 O GLY A 16 7.447 -0.037 4.677 1.00 0.00 O ATOM 0 H GLY A 16 4.014 -1.783 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.245 -1.545 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.374 -0.275 3.240 1.00 0.00 H new ATOM 210 N SER A 17 7.392 -2.262 4.983 1.00 0.00 N ATOM 211 CA SER A 17 8.356 -2.383 6.069 1.00 0.00 C ATOM 212 C SER A 17 9.813 -2.456 5.571 1.00 0.00 C ATOM 213 O SER A 17 10.627 -3.198 6.122 1.00 0.00 O ATOM 214 CB SER A 17 7.923 -3.571 6.944 1.00 0.00 C ATOM 215 OG SER A 17 7.493 -4.678 6.168 1.00 0.00 O ATOM 0 H SER A 17 7.030 -3.171 4.695 1.00 0.00 H new ATOM 0 HA SER A 17 8.354 -1.481 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.755 -3.875 7.579 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.116 -3.258 7.606 1.00 0.00 H new ATOM 0 HG SER A 17 7.228 -5.411 6.762 1.00 0.00 H new ATOM 221 N THR A 18 10.157 -1.696 4.526 1.00 0.00 N ATOM 222 CA THR A 18 11.533 -1.532 4.059 1.00 0.00 C ATOM 223 C THR A 18 12.372 -0.744 5.085 1.00 0.00 C ATOM 224 O THR A 18 11.832 -0.184 6.037 1.00 0.00 O ATOM 225 CB THR A 18 11.504 -0.854 2.673 1.00 0.00 C ATOM 226 OG1 THR A 18 10.503 0.143 2.604 1.00 0.00 O ATOM 227 CG2 THR A 18 11.206 -1.872 1.567 1.00 0.00 C ATOM 0 H THR A 18 9.477 -1.172 3.975 1.00 0.00 H new ATOM 0 HA THR A 18 12.015 -2.504 3.959 1.00 0.00 H new ATOM 0 HB THR A 18 12.489 -0.409 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.636 0.790 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.192 -1.366 0.601 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.978 -2.641 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.236 -2.334 1.749 1.00 0.00 H new ATOM 235 N VAL A 19 13.704 -0.722 4.905 1.00 0.00 N ATOM 236 CA VAL A 19 14.670 -0.012 5.756 1.00 0.00 C ATOM 237 C VAL A 19 14.230 1.408 6.144 1.00 0.00 C ATOM 238 O VAL A 19 14.218 1.742 7.326 1.00 0.00 O ATOM 239 CB VAL A 19 16.094 -0.056 5.158 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.656 -1.484 5.238 1.00 0.00 C ATOM 241 CG2 VAL A 19 16.205 0.437 3.704 1.00 0.00 C ATOM 0 H VAL A 19 14.152 -1.217 4.134 1.00 0.00 H new ATOM 0 HA VAL A 19 14.699 -0.558 6.699 1.00 0.00 H new ATOM 0 HB VAL A 19 16.674 0.640 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.660 -1.504 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.696 -1.802 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.011 -2.161 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.242 0.368 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.578 -0.181 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.874 1.474 3.645 1.00 0.00 H new ATOM 251 N GLY A 20 13.853 2.216 5.150 1.00 0.00 N ATOM 252 CA GLY A 20 12.911 3.314 5.313 1.00 0.00 C ATOM 253 C GLY A 20 11.549 2.755 4.921 1.00 0.00 C ATOM 254 O GLY A 20 11.453 2.063 3.900 1.00 0.00 O ATOM 0 H GLY A 20 14.202 2.120 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.904 3.674 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.183 4.160 4.681 1.00 0.00 H new ATOM 258 N ALA A 21 10.528 2.985 5.741 1.00 0.00 N ATOM 259 CA ALA A 21 9.271 2.251 5.734 1.00 0.00 C ATOM 260 C ALA A 21 8.105 3.171 5.350 1.00 0.00 C ATOM 261 O ALA A 21 8.299 4.306 4.919 1.00 0.00 O ATOM 262 CB ALA A 21 9.085 1.603 7.118 1.00 0.00 C ATOM 0 H ALA A 21 10.556 3.714 6.454 1.00 0.00 H new ATOM 0 HA ALA A 21 9.291 1.464 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.148 1.047 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.914 0.924 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.061 2.379 7.883 1.00 0.00 H new ATOM 268 N ALA A 22 6.869 2.708 5.561 1.00 0.00 N ATOM 269 CA ALA A 22 5.655 3.466 5.270 1.00 0.00 C ATOM 270 C ALA A 22 5.574 4.768 6.084 1.00 0.00 C ATOM 271 O ALA A 22 4.951 5.726 5.635 1.00 0.00 O ATOM 272 CB ALA A 22 4.441 2.579 5.560 1.00 0.00 C ATOM 0 H ALA A 22 6.684 1.781 5.945 1.00 0.00 H new ATOM 0 HA ALA A 22 5.671 3.754 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.527 3.133 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.482 1.690 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.449 2.282 6.609 1.00 0.00 H new ATOM 278 N SER A 23 6.189 4.806 7.274 1.00 0.00 N ATOM 279 CA SER A 23 6.318 6.014 8.084 1.00 0.00 C ATOM 280 C SER A 23 7.431 6.965 7.603 1.00 0.00 C ATOM 281 O SER A 23 7.534 8.054 8.176 1.00 0.00 O ATOM 282 CB SER A 23 6.573 5.624 9.546 1.00 0.00 C ATOM 283 OG SER A 23 6.515 6.777 10.362 1.00 0.00 O ATOM 0 H SER A 23 6.615 3.984 7.702 1.00 0.00 H new ATOM 0 HA SER A 23 5.379 6.559 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.830 4.897 9.874 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.549 5.148 9.641 1.00 0.00 H new ATOM 0 HG SER A 23 6.831 7.553 9.854 1.00 0.00 H new ATOM 289 N GLY A 24 8.292 6.557 6.663 1.00 0.00 N ATOM 290 CA GLY A 24 9.585 7.174 6.391 1.00 0.00 C ATOM 291 C GLY A 24 10.673 6.110 6.476 1.00 0.00 C ATOM 292 O GLY A 24 10.541 5.211 7.340 1.00 0.00 O ATOM 0 H GLY A 24 8.097 5.762 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.583 7.631 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.780 7.970 7.110 1.00 0.00 H new TER 296 GLY A 24