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+ -127:sc= 0.181 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -36:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.311 3.949 -4.331 1.00 0.00 N ATOM 2 CA ALA A 1 -9.405 3.649 -2.887 1.00 0.00 C ATOM 3 C ALA A 1 -10.444 2.539 -2.671 1.00 0.00 C ATOM 4 O ALA A 1 -10.782 1.852 -3.635 1.00 0.00 O ATOM 5 CB ALA A 1 -9.712 4.936 -2.105 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.318 3.889 -4.634 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.879 3.261 -4.866 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.670 4.908 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.455 3.278 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.780 4.708 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.915 5.661 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.659 5.353 -2.448 1.00 0.00 H new ATOM 13 N VAL A 2 -10.941 2.375 -1.437 1.00 0.00 N ATOM 14 CA VAL A 2 -12.114 1.592 -1.024 1.00 0.00 C ATOM 15 C VAL A 2 -11.950 0.079 -1.224 1.00 0.00 C ATOM 16 O VAL A 2 -11.934 -0.654 -0.240 1.00 0.00 O ATOM 17 CB VAL A 2 -13.420 2.158 -1.640 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.664 1.446 -1.085 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.578 3.665 -1.365 1.00 0.00 C ATOM 0 H VAL A 2 -10.496 2.824 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.198 1.710 0.056 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.340 1.986 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.559 1.870 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.608 0.382 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.708 1.580 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.505 4.021 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.605 3.838 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.735 4.204 -1.798 1.00 0.00 H new ATOM 29 N GLY A 3 -11.890 -0.393 -2.471 1.00 0.00 N ATOM 30 CA GLY A 3 -11.582 -1.769 -2.814 1.00 0.00 C ATOM 31 C GLY A 3 -10.074 -1.966 -2.824 1.00 0.00 C ATOM 32 O GLY A 3 -9.397 -1.832 -1.807 1.00 0.00 O ATOM 0 H GLY A 3 -12.060 0.194 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.043 -2.446 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.997 -2.013 -3.792 1.00 0.00 H new ATOM 36 N ILE A 4 -9.532 -2.206 -4.021 1.00 0.00 N ATOM 37 CA ILE A 4 -8.122 -2.534 -4.233 1.00 0.00 C ATOM 38 C ILE A 4 -7.214 -1.439 -3.659 1.00 0.00 C ATOM 39 O ILE A 4 -6.164 -1.741 -3.098 1.00 0.00 O ATOM 40 CB ILE A 4 -7.848 -2.789 -5.737 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.796 -3.838 -6.368 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.383 -3.194 -5.984 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.790 -5.221 -5.701 1.00 0.00 C ATOM 0 H ILE A 4 -10.072 -2.177 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.890 -3.454 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.047 -1.838 -6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.813 -3.446 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.528 -3.959 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.227 -3.365 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.723 -2.396 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.160 -4.108 -5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.488 -5.878 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.787 -5.645 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.091 -5.123 -4.658 1.00 0.00 H new ATOM 55 N GLY A 5 -7.637 -0.171 -3.728 1.00 0.00 N ATOM 56 CA GLY A 5 -6.838 0.946 -3.248 1.00 0.00 C ATOM 57 C GLY A 5 -6.744 0.968 -1.724 1.00 0.00 C ATOM 58 O GLY A 5 -5.747 1.449 -1.187 1.00 0.00 O ATOM 0 H GLY A 5 -8.540 0.101 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.836 0.884 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.275 1.881 -3.598 1.00 0.00 H new ATOM 62 N ALA A 6 -7.756 0.436 -1.026 1.00 0.00 N ATOM 63 CA ALA A 6 -7.686 0.257 0.415 1.00 0.00 C ATOM 64 C ALA A 6 -6.655 -0.816 0.766 1.00 0.00 C ATOM 65 O ALA A 6 -5.956 -0.673 1.760 1.00 0.00 O ATOM 66 CB ALA A 6 -9.066 -0.096 0.967 1.00 0.00 C ATOM 0 H ALA A 6 -8.632 0.124 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.366 1.191 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.003 -0.228 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.765 0.709 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.416 -1.021 0.508 1.00 0.00 H new ATOM 72 N LEU A 7 -6.506 -1.863 -0.056 1.00 0.00 N ATOM 73 CA LEU A 7 -5.434 -2.841 0.108 1.00 0.00 C ATOM 74 C LEU A 7 -4.092 -2.189 -0.189 1.00 0.00 C ATOM 75 O LEU A 7 -3.109 -2.439 0.489 1.00 0.00 O ATOM 76 CB LEU A 7 -5.612 -4.073 -0.806 1.00 0.00 C ATOM 77 CG LEU A 7 -7.057 -4.552 -0.998 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.102 -5.729 -1.980 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.722 -4.961 0.324 1.00 0.00 C ATOM 0 H LEU A 7 -7.123 -2.051 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.472 -3.186 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.192 -3.841 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.027 -4.896 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.617 -3.709 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.133 -6.058 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.701 -5.415 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.504 -6.552 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.743 -5.292 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.157 -5.775 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.739 -4.108 1.002 1.00 0.00 H new ATOM 91 N PHE A 8 -4.055 -1.344 -1.207 1.00 0.00 N ATOM 92 CA PHE A 8 -2.815 -0.785 -1.736 1.00 0.00 C ATOM 93 C PHE A 8 -2.133 0.142 -0.738 1.00 0.00 C ATOM 94 O PHE A 8 -0.946 0.027 -0.446 1.00 0.00 O ATOM 95 CB PHE A 8 -3.193 0.049 -2.946 1.00 0.00 C ATOM 96 CG PHE A 8 -2.041 0.299 -3.899 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.148 1.364 -3.671 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.833 -0.566 -4.991 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.052 1.560 -4.529 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.738 -0.366 -5.851 1.00 0.00 C ATOM 101 CZ PHE A 8 0.153 0.696 -5.619 1.00 0.00 C ATOM 0 H PHE A 8 -4.891 -1.022 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.130 -1.601 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.996 -0.453 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.587 1.007 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.305 2.031 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.515 -1.384 -5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.633 2.375 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.582 -1.028 -6.690 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.995 0.848 -6.278 1.00 0.00 H new ATOM 111 N LEU A 9 -2.923 1.064 -0.197 1.00 0.00 N ATOM 112 CA LEU A 9 -2.476 1.953 0.855 1.00 0.00 C ATOM 113 C LEU A 9 -2.366 1.143 2.142 1.00 0.00 C ATOM 114 O LEU A 9 -1.491 1.389 2.967 1.00 0.00 O ATOM 115 CB LEU A 9 -3.507 3.097 0.967 1.00 0.00 C ATOM 116 CG LEU A 9 -3.570 3.788 2.339 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.293 4.581 2.654 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.769 4.745 2.386 1.00 0.00 C ATOM 0 H LEU A 9 -3.892 1.211 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.499 2.390 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.277 3.847 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.494 2.699 0.732 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.674 3.002 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.388 5.050 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.437 3.906 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.146 5.351 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.808 5.232 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.662 5.500 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.689 4.184 2.223 1.00 0.00 H new ATOM 130 N GLY A 10 -3.297 0.210 2.320 1.00 0.00 N ATOM 131 CA GLY A 10 -3.574 -0.342 3.645 1.00 0.00 C ATOM 132 C GLY A 10 -2.836 -1.647 3.884 1.00 0.00 C ATOM 133 O GLY A 10 -1.855 -1.687 4.620 1.00 0.00 O ATOM 0 H GLY A 10 -3.869 -0.178 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.286 0.382 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.646 -0.507 3.752 1.00 0.00 H new ATOM 137 N PHE A 11 -3.324 -2.716 3.260 1.00 0.00 N ATOM 138 CA PHE A 11 -2.804 -4.075 3.385 1.00 0.00 C ATOM 139 C PHE A 11 -1.320 -4.143 2.980 1.00 0.00 C ATOM 140 O PHE A 11 -0.489 -4.659 3.726 1.00 0.00 O ATOM 141 CB PHE A 11 -3.684 -4.990 2.513 1.00 0.00 C ATOM 142 CG PHE A 11 -3.340 -6.464 2.602 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.887 -7.259 3.627 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.471 -7.044 1.657 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.570 -8.627 3.704 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.154 -8.412 1.735 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.705 -9.204 2.757 1.00 0.00 C ATOM 0 H PHE A 11 -4.123 -2.657 2.629 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.845 -4.406 4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.726 -4.855 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.599 -4.672 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.551 -6.818 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.047 -6.437 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.991 -9.235 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.487 -8.854 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.464 -10.255 2.815 1.00 0.00 H new ATOM 157 N LEU A 12 -0.987 -3.573 1.818 1.00 0.00 N ATOM 158 CA LEU A 12 0.363 -3.432 1.288 1.00 0.00 C ATOM 159 C LEU A 12 1.156 -2.436 2.137 1.00 0.00 C ATOM 160 O LEU A 12 2.271 -2.757 2.540 1.00 0.00 O ATOM 161 CB LEU A 12 0.271 -3.033 -0.200 1.00 0.00 C ATOM 162 CG LEU A 12 1.499 -2.318 -0.804 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.739 -3.218 -0.814 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.197 -1.879 -2.245 1.00 0.00 C ATOM 0 H LEU A 12 -1.691 -3.179 1.194 1.00 0.00 H new ATOM 0 HA LEU A 12 0.906 -4.376 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.082 -3.934 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.596 -2.384 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 12 1.706 -1.451 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.579 -2.675 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.984 -3.511 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.537 -4.109 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.069 -1.376 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.959 -2.754 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.348 -1.195 -2.247 1.00 0.00 H new ATOM 176 N GLY A 13 0.602 -1.256 2.444 1.00 0.00 N ATOM 177 CA GLY A 13 1.369 -0.222 3.134 1.00 0.00 C ATOM 178 C GLY A 13 1.697 -0.600 4.580 1.00 0.00 C ATOM 179 O GLY A 13 2.756 -0.217 5.074 1.00 0.00 O ATOM 0 H GLY A 13 -0.361 -1.000 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.296 -0.039 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.805 0.711 3.125 1.00 0.00 H new ATOM 183 N ALA A 14 0.863 -1.416 5.239 1.00 0.00 N ATOM 184 CA ALA A 14 1.184 -2.006 6.534 1.00 0.00 C ATOM 185 C ALA A 14 2.429 -2.897 6.443 1.00 0.00 C ATOM 186 O ALA A 14 3.260 -2.876 7.348 1.00 0.00 O ATOM 187 CB ALA A 14 -0.017 -2.807 7.050 1.00 0.00 C ATOM 0 H ALA A 14 -0.055 -1.683 4.883 1.00 0.00 H new ATOM 0 HA ALA A 14 1.404 -1.202 7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.227 -3.246 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.876 -2.145 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.257 -3.600 6.342 1.00 0.00 H new ATOM 193 N ALA A 15 2.585 -3.651 5.346 1.00 0.00 N ATOM 194 CA ALA A 15 3.802 -4.389 5.016 1.00 0.00 C ATOM 195 C ALA A 15 4.906 -3.532 4.395 1.00 0.00 C ATOM 196 O ALA A 15 5.861 -4.076 3.838 1.00 0.00 O ATOM 197 CB ALA A 15 3.486 -5.572 4.109 1.00 0.00 C ATOM 0 H ALA A 15 1.848 -3.764 4.650 1.00 0.00 H new ATOM 0 HA ALA A 15 4.193 -4.744 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.406 -6.108 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.793 -6.244 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.032 -5.212 3.186 1.00 0.00 H new ATOM 203 N GLY A 16 4.811 -2.207 4.492 1.00 0.00 N ATOM 204 CA GLY A 16 5.718 -1.252 3.865 1.00 0.00 C ATOM 205 C GLY A 16 7.064 -1.173 4.588 1.00 0.00 C ATOM 206 O GLY A 16 7.663 -0.101 4.660 1.00 0.00 O ATOM 0 H GLY A 16 4.072 -1.754 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.882 -1.537 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.254 -0.266 3.855 1.00 0.00 H new ATOM 210 N SER A 17 7.542 -2.308 5.112 1.00 0.00 N ATOM 211 CA SER A 17 8.802 -2.426 5.838 1.00 0.00 C ATOM 212 C SER A 17 9.978 -2.102 4.911 1.00 0.00 C ATOM 213 O SER A 17 10.930 -1.436 5.319 1.00 0.00 O ATOM 214 CB SER A 17 8.929 -3.851 6.391 1.00 0.00 C ATOM 215 OG SER A 17 7.757 -4.218 7.094 1.00 0.00 O ATOM 0 H SER A 17 7.043 -3.195 5.037 1.00 0.00 H new ATOM 0 HA SER A 17 8.817 -1.716 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.103 -4.550 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.792 -3.914 7.054 1.00 0.00 H new ATOM 0 HG SER A 17 7.854 -5.130 7.438 1.00 0.00 H new ATOM 221 N THR A 18 9.892 -2.521 3.644 1.00 0.00 N ATOM 222 CA THR A 18 10.705 -1.977 2.569 1.00 0.00 C ATOM 223 C THR A 18 10.153 -0.583 2.252 1.00 0.00 C ATOM 224 O THR A 18 9.251 -0.447 1.425 1.00 0.00 O ATOM 225 CB THR A 18 10.676 -2.922 1.353 1.00 0.00 C ATOM 226 OG1 THR A 18 10.991 -4.240 1.761 1.00 0.00 O ATOM 227 CG2 THR A 18 11.678 -2.497 0.273 1.00 0.00 C ATOM 0 H THR A 18 9.249 -3.253 3.341 1.00 0.00 H new ATOM 0 HA THR A 18 11.753 -1.890 2.856 1.00 0.00 H new ATOM 0 HB THR A 18 9.671 -2.876 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.969 -4.837 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.624 -3.191 -0.566 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.437 -1.491 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.686 -2.507 0.688 1.00 0.00 H new ATOM 235 N VAL A 19 10.665 0.434 2.954 1.00 0.00 N ATOM 236 CA VAL A 19 10.389 1.846 2.698 1.00 0.00 C ATOM 237 C VAL A 19 10.437 2.131 1.189 1.00 0.00 C ATOM 238 O VAL A 19 11.431 1.834 0.526 1.00 0.00 O ATOM 239 CB VAL A 19 11.312 2.758 3.537 1.00 0.00 C ATOM 240 CG1 VAL A 19 10.966 2.634 5.030 1.00 0.00 C ATOM 241 CG2 VAL A 19 12.816 2.486 3.356 1.00 0.00 C ATOM 0 H VAL A 19 11.301 0.290 3.738 1.00 0.00 H new ATOM 0 HA VAL A 19 9.376 2.082 3.025 1.00 0.00 H new ATOM 0 HB VAL A 19 11.128 3.767 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.623 3.281 5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.930 2.932 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.100 1.601 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.388 3.171 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.038 1.459 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.090 2.635 2.311 1.00 0.00 H new ATOM 251 N GLY A 20 9.335 2.649 0.632 1.00 0.00 N ATOM 252 CA GLY A 20 9.042 2.507 -0.792 1.00 0.00 C ATOM 253 C GLY A 20 9.896 3.362 -1.731 1.00 0.00 C ATOM 254 O GLY A 20 9.840 3.135 -2.936 1.00 0.00 O ATOM 0 H GLY A 20 8.631 3.172 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.168 1.460 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.994 2.756 -0.956 1.00 0.00 H new ATOM 258 N ALA A 21 10.663 4.326 -1.202 1.00 0.00 N ATOM 259 CA ALA A 21 11.652 5.163 -1.894 1.00 0.00 C ATOM 260 C ALA A 21 11.170 5.863 -3.185 1.00 0.00 C ATOM 261 O ALA A 21 11.990 6.328 -3.976 1.00 0.00 O ATOM 262 CB ALA A 21 12.926 4.337 -2.120 1.00 0.00 C ATOM 0 H ALA A 21 10.604 4.557 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 21 11.852 6.008 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.669 4.947 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.324 4.012 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.690 3.464 -2.729 1.00 0.00 H new ATOM 268 N ALA A 22 9.857 5.937 -3.437 1.00 0.00 N ATOM 269 CA ALA A 22 9.305 6.355 -4.724 1.00 0.00 C ATOM 270 C ALA A 22 9.602 7.825 -5.053 1.00 0.00 C ATOM 271 O ALA A 22 9.810 8.164 -6.215 1.00 0.00 O ATOM 272 CB ALA A 22 7.794 6.098 -4.723 1.00 0.00 C ATOM 0 H ALA A 22 9.145 5.706 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 22 9.789 5.767 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.372 6.407 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.606 5.035 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.328 6.669 -3.920 1.00 0.00 H new ATOM 278 N SER A 23 9.598 8.696 -4.039 1.00 0.00 N ATOM 279 CA SER A 23 10.022 10.091 -4.133 1.00 0.00 C ATOM 280 C SER A 23 11.550 10.259 -4.101 1.00 0.00 C ATOM 281 O SER A 23 12.022 11.394 -4.208 1.00 0.00 O ATOM 282 CB SER A 23 9.392 10.895 -2.990 1.00 0.00 C ATOM 283 OG SER A 23 9.665 12.271 -3.169 1.00 0.00 O ATOM 0 H SER A 23 9.289 8.438 -3.102 1.00 0.00 H new ATOM 0 HA SER A 23 9.682 10.464 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.315 10.728 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.789 10.557 -2.033 1.00 0.00 H new ATOM 0 HG SER A 23 10.563 12.380 -3.545 1.00 0.00 H new ATOM 289 N GLY A 24 12.283 9.187 -3.800 1.00 0.00 N ATOM 290 CA GLY A 24 13.442 9.220 -2.929 1.00 0.00 C ATOM 291 C GLY A 24 13.027 8.533 -1.627 1.00 0.00 C ATOM 292 O GLY A 24 11.797 8.394 -1.404 1.00 0.00 O ATOM 0 H GLY A 24 12.078 8.257 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.286 8.705 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.758 10.246 -2.742 1.00 0.00 H new TER 296 GLY A 24