USER MOD reduce.3.24.130724 H: found=0, std=0, add=112, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 117 hydrogens (27 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 NoAdj-H: A 3 CGUHE22 : A 3 CGUOE22 : A 3 CGU CD2 :(short bond) USER MOD NoAdj-H: A 3 CGUHE12 : A 3 CGUOE12 : A 3 CGU CD1 :(short bond) USER MOD NoAdj-H: A 3 CGU HN2 : A 3 CGU N : A 2 GLU C :(H bumps) USER MOD NoAdj-H: A 3 CGU H : A 3 CGU N : A 2 GLU C :(H bumps) USER MOD NoAdj-H: A 4 CGUHE22 : A 4 CGUOE22 : A 4 CGU CD2 :(short bond) USER MOD NoAdj-H: A 4 CGUHE12 : A 4 CGUOE12 : A 4 CGU CD1 :(short bond) USER MOD NoAdj-H: A 4 CGU HN2 : A 4 CGU N : A 3 CGU C :(H bumps) USER MOD NoAdj-H: A 4 CGU H : A 4 CGU N : A 3 CGU C :(H bumps) USER MOD NoAdj-H: A 7 CGUHE22 : A 7 CGUOE22 : A 7 CGU CD2 :(short bond) USER MOD NoAdj-H: A 7 CGUHE12 : A 7 CGUOE12 : A 7 CGU CD1 :(short bond) USER MOD NoAdj-H: A 7 CGU H : A 7 CGU N : A 6 ALA C :(H bumps) USER MOD NoAdj-H: A 10 CGUHE22 : A 10 CGUOE22 : A 10 CGU CD2 :(short bond) USER MOD NoAdj-H: A 10 CGUHE12 : A 10 CGUOE12 : A 10 CGU CD1 :(short bond) USER MOD NoAdj-H: A 10 CGU H : A 10 CGU N : A 9 GLN C :(H bumps) USER MOD NoAdj-H: A 14 CGUHE22 : A 14 CGUOE22 : A 14 CGU CD2 :(short bond) USER MOD NoAdj-H: A 14 CGUHE12 : A 14 CGUOE12 : A 14 CGU CD1 :(short bond) USER MOD NoAdj-H: A 14 CGU HN2 : A 14 CGU N : A 13 ARG C :(H bumps) USER MOD NoAdj-H: A 14 CGU H : A 14 CGU N : A 13 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.7!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.715 -3.206 4.788 1.00 0.00 N ATOM 2 CA GLY A 1 2.193 -2.769 6.130 1.00 0.00 C ATOM 3 C GLY A 1 3.695 -3.034 6.245 1.00 0.00 C ATOM 4 O GLY A 1 4.510 -2.240 5.820 1.00 0.00 O ATOM 0 H1 GLY A 1 0.694 -3.027 4.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.219 -2.674 4.050 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.898 -4.223 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.988 -1.708 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.657 -3.306 6.912 1.00 0.00 H new ATOM 10 N GLU A 2 4.067 -4.146 6.817 1.00 0.00 N ATOM 11 CA GLU A 2 5.515 -4.463 6.959 1.00 0.00 C ATOM 12 C GLU A 2 6.230 -4.193 5.634 1.00 0.00 C ATOM 13 O GLU A 2 7.422 -3.960 5.597 1.00 0.00 O ATOM 14 CB GLU A 2 5.679 -5.937 7.337 1.00 0.00 C ATOM 15 CG GLU A 2 7.168 -6.272 7.456 1.00 0.00 C ATOM 16 CD GLU A 2 7.332 -7.659 8.078 1.00 0.00 C ATOM 17 OE1 GLU A 2 6.323 -8.268 8.392 1.00 0.00 O1- ATOM 18 OE2 GLU A 2 8.464 -8.089 8.230 1.00 0.00 O ATOM 0 H GLU A 2 3.430 -4.849 7.192 1.00 0.00 H new ATOM 0 HA GLU A 2 5.949 -3.837 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.173 -6.140 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.212 -6.571 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.637 -6.245 6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.672 -5.525 8.070 1.00 0.00 H new HETATM 25 N CGU A 3 5.511 -4.221 4.546 1.00 0.00 N HETATM 26 CA CGU A 3 6.148 -3.964 3.224 1.00 0.00 C HETATM 27 C CGU A 3 6.597 -2.503 3.149 1.00 0.00 C HETATM 28 O CGU A 3 7.760 -2.212 2.945 1.00 0.00 O HETATM 29 CB CGU A 3 5.141 -4.248 2.107 1.00 0.00 C HETATM 30 CG CGU A 3 5.699 -3.745 0.775 1.00 0.00 C HETATM 31 CD1 CGU A 3 7.071 -4.374 0.521 1.00 0.00 C HETATM 32 CD2 CGU A 3 4.757 -4.147 -0.361 1.00 0.00 C HETATM 33 OE11 CGU A 3 7.113 -5.555 0.217 1.00 0.00 O HETATM 34 OE12 CGU A 3 8.056 -3.664 0.635 1.00 0.00 O HETATM 35 OE21 CGU A 3 3.568 -4.246 -0.112 1.00 0.00 O HETATM 36 OE22 CGU A 3 5.242 -4.349 -1.463 1.00 0.00 O HETATM 0 HG CGU A 3 5.790 -2.660 0.816 1.00 0.00 H new HETATM 0 HB3 CGU A 3 4.940 -5.318 2.048 1.00 0.00 H new HETATM 0 HB2 CGU A 3 4.193 -3.757 2.325 1.00 0.00 H new HETATM 0 HA CGU A 3 7.013 -4.616 3.105 1.00 0.00 H new HETATM 42 N CGU A 4 5.688 -1.581 3.313 1.00 0.00 N HETATM 43 CA CGU A 4 6.068 -0.141 3.252 1.00 0.00 C HETATM 44 C CGU A 4 7.198 0.128 4.246 1.00 0.00 C HETATM 45 O CGU A 4 8.185 0.758 3.924 1.00 0.00 O HETATM 46 CB CGU A 4 4.857 0.721 3.612 1.00 0.00 C HETATM 47 CG CGU A 4 5.190 2.195 3.374 1.00 0.00 C HETATM 48 CD1 CGU A 4 3.996 3.063 3.774 1.00 0.00 C HETATM 49 CD2 CGU A 4 5.487 2.421 1.891 1.00 0.00 C HETATM 50 OE11 CGU A 4 3.375 3.624 2.886 1.00 0.00 O HETATM 51 OE12 CGU A 4 3.723 3.152 4.959 1.00 0.00 O HETATM 52 OE21 CGU A 4 6.483 3.060 1.596 1.00 0.00 O HETATM 53 OE22 CGU A 4 4.711 1.952 1.074 1.00 0.00 O HETATM 0 HG CGU A 4 6.061 2.464 3.972 1.00 0.00 H new HETATM 0 HB3 CGU A 4 3.998 0.429 3.008 1.00 0.00 H new HETATM 0 HB2 CGU A 4 4.582 0.563 4.655 1.00 0.00 H new HETATM 0 HA CGU A 4 6.403 0.105 2.244 1.00 0.00 H new ATOM 59 N LEU A 5 7.061 -0.345 5.454 1.00 0.00 N ATOM 60 CA LEU A 5 8.124 -0.115 6.470 1.00 0.00 C ATOM 61 C LEU A 5 9.478 -0.535 5.896 1.00 0.00 C ATOM 62 O LEU A 5 10.505 0.016 6.237 1.00 0.00 O ATOM 63 CB LEU A 5 7.826 -0.952 7.714 1.00 0.00 C ATOM 64 CG LEU A 5 8.365 -0.231 8.948 1.00 0.00 C ATOM 65 CD1 LEU A 5 8.096 -1.077 10.194 1.00 0.00 C ATOM 66 CD2 LEU A 5 9.873 -0.016 8.791 1.00 0.00 C ATOM 0 H LEU A 5 6.257 -0.881 5.781 1.00 0.00 H new ATOM 0 HA LEU A 5 8.150 0.942 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.752 -1.110 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.286 -1.936 7.623 1.00 0.00 H new ATOM 0 HG LEU A 5 7.868 0.733 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.481 -0.562 11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.023 -1.231 10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.592 -2.042 10.093 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.261 0.498 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.369 -0.981 8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.064 0.588 7.904 1.00 0.00 H new ATOM 78 N ALA A 6 9.487 -1.512 5.033 1.00 0.00 N ATOM 79 CA ALA A 6 10.775 -1.972 4.446 1.00 0.00 C ATOM 80 C ALA A 6 11.182 -1.039 3.299 1.00 0.00 C ATOM 81 O ALA A 6 12.330 -0.664 3.174 1.00 0.00 O ATOM 82 CB ALA A 6 10.612 -3.398 3.914 1.00 0.00 C ATOM 0 H ALA A 6 8.659 -2.011 4.709 1.00 0.00 H new ATOM 0 HA ALA A 6 11.549 -1.957 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.555 -3.736 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.328 -4.061 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.837 -3.414 3.148 1.00 0.00 H new HETATM 88 N CGU A 7 10.255 -0.649 2.458 1.00 0.00 N HETATM 89 CA CGU A 7 10.620 0.266 1.336 1.00 0.00 C HETATM 90 C CGU A 7 11.485 1.389 1.905 1.00 0.00 C HETATM 91 O CGU A 7 12.331 1.949 1.237 1.00 0.00 O HETATM 92 CB CGU A 7 9.351 0.853 0.714 1.00 0.00 C HETATM 93 CG CGU A 7 8.493 -0.278 0.144 1.00 0.00 C HETATM 94 CD1 CGU A 7 7.241 0.307 -0.510 1.00 0.00 C HETATM 95 CD2 CGU A 7 9.289 -1.043 -0.916 1.00 0.00 C HETATM 96 OE11 CGU A 7 7.376 0.926 -1.552 1.00 0.00 O HETATM 97 OE12 CGU A 7 6.167 0.125 0.041 1.00 0.00 O HETATM 98 OE21 CGU A 7 9.569 -2.209 -0.691 1.00 0.00 O HETATM 99 OE22 CGU A 7 9.608 -0.448 -1.932 1.00 0.00 O HETATM 0 HN2 CGU A 7 9.674 -1.468 2.280 1.00 0.00 H new HETATM 0 HG CGU A 7 8.209 -0.951 0.953 1.00 0.00 H new HETATM 0 HB3 CGU A 7 8.788 1.408 1.465 1.00 0.00 H new HETATM 0 HB2 CGU A 7 9.612 1.559 -0.075 1.00 0.00 H new HETATM 0 HA CGU A 7 11.165 -0.278 0.565 1.00 0.00 H new ATOM 105 N ASN A 8 11.276 1.699 3.150 1.00 0.00 N ATOM 106 CA ASN A 8 12.063 2.758 3.826 1.00 0.00 C ATOM 107 C ASN A 8 13.540 2.624 3.451 1.00 0.00 C ATOM 108 O ASN A 8 14.164 3.563 2.997 1.00 0.00 O ATOM 109 CB ASN A 8 11.916 2.556 5.334 1.00 0.00 C ATOM 110 CG ASN A 8 12.011 3.904 6.049 1.00 0.00 C ATOM 111 OD1 ASN A 8 12.142 4.933 5.419 1.00 0.00 O ATOM 112 ND2 ASN A 8 11.947 3.940 7.352 1.00 0.00 N ATOM 0 H ASN A 8 10.575 1.251 3.740 1.00 0.00 H new ATOM 0 HA ASN A 8 11.706 3.743 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.959 2.083 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.694 1.885 5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.007 4.833 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.837 3.075 7.881 1.00 0.00 H new ATOM 119 N GLN A 9 14.105 1.464 3.642 1.00 0.00 N ATOM 120 CA GLN A 9 15.546 1.277 3.303 1.00 0.00 C ATOM 121 C GLN A 9 15.707 1.114 1.791 1.00 0.00 C ATOM 122 O GLN A 9 16.674 1.565 1.208 1.00 0.00 O ATOM 123 CB GLN A 9 16.087 0.030 4.011 1.00 0.00 C ATOM 124 CG GLN A 9 15.232 -1.185 3.646 1.00 0.00 C ATOM 125 CD GLN A 9 15.908 -2.460 4.155 1.00 0.00 C ATOM 126 OE1 GLN A 9 16.955 -2.840 3.673 1.00 0.00 O ATOM 127 NE2 GLN A 9 15.348 -3.140 5.118 1.00 0.00 N ATOM 0 H GLN A 9 13.635 0.640 4.016 1.00 0.00 H new ATOM 0 HA GLN A 9 16.105 2.153 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 9 17.123 -0.143 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 9 16.079 0.181 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 9 14.239 -1.088 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 9 15.100 -1.238 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.468 -2.821 5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.790 -3.991 5.466 1.00 0.00 H new HETATM 136 N CGU A 10 14.774 0.469 1.148 1.00 0.00 N HETATM 137 CA CGU A 10 14.882 0.275 -0.326 1.00 0.00 C HETATM 138 C CGU A 10 15.173 1.604 -0.998 1.00 0.00 C HETATM 139 O CGU A 10 15.658 1.663 -2.110 1.00 0.00 O HETATM 140 CB CGU A 10 13.569 -0.290 -0.866 1.00 0.00 C HETATM 141 CG CGU A 10 13.717 -0.596 -2.356 1.00 0.00 C HETATM 142 CD1 CGU A 10 12.351 -0.957 -2.944 1.00 0.00 C HETATM 143 CD2 CGU A 10 14.666 -1.781 -2.547 1.00 0.00 C HETATM 144 OE11 CGU A 10 12.063 -2.138 -3.038 1.00 0.00 O HETATM 145 OE12 CGU A 10 11.618 -0.044 -3.288 1.00 0.00 O HETATM 146 OE21 CGU A 10 14.293 -2.880 -2.168 1.00 0.00 O HETATM 147 OE22 CGU A 10 15.748 -1.570 -3.069 1.00 0.00 O HETATM 0 HN2 CGU A 10 14.580 -0.328 1.754 1.00 0.00 H new HETATM 0 HG CGU A 10 14.118 0.283 -2.861 1.00 0.00 H new HETATM 0 HB3 CGU A 10 13.301 -1.196 -0.323 1.00 0.00 H new HETATM 0 HB2 CGU A 10 12.762 0.426 -0.710 1.00 0.00 H new HETATM 0 HA CGU A 10 15.693 -0.422 -0.537 1.00 0.00 H new ATOM 153 N PHE A 11 14.873 2.664 -0.334 1.00 0.00 N ATOM 154 CA PHE A 11 15.112 4.005 -0.913 1.00 0.00 C ATOM 155 C PHE A 11 16.580 4.402 -0.730 1.00 0.00 C ATOM 156 O PHE A 11 17.187 4.992 -1.602 1.00 0.00 O ATOM 157 CB PHE A 11 14.217 4.982 -0.177 1.00 0.00 C ATOM 158 CG PHE A 11 14.340 6.357 -0.785 1.00 0.00 C ATOM 159 CD1 PHE A 11 15.500 7.115 -0.582 1.00 0.00 C ATOM 160 CD2 PHE A 11 13.292 6.875 -1.556 1.00 0.00 C ATOM 161 CE1 PHE A 11 15.611 8.390 -1.148 1.00 0.00 C ATOM 162 CE2 PHE A 11 13.403 8.150 -2.123 1.00 0.00 C ATOM 163 CZ PHE A 11 14.562 8.907 -1.919 1.00 0.00 C ATOM 0 H PHE A 11 14.465 2.665 0.601 1.00 0.00 H new ATOM 0 HA PHE A 11 14.891 4.007 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.181 4.646 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 11 14.492 5.016 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 11 16.309 6.715 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.398 6.290 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.505 8.975 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.595 8.549 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.648 9.891 -2.356 1.00 0.00 H new ATOM 173 N ALA A 12 17.153 4.087 0.398 1.00 0.00 N ATOM 174 CA ALA A 12 18.578 4.451 0.642 1.00 0.00 C ATOM 175 C ALA A 12 19.497 3.533 -0.170 1.00 0.00 C ATOM 176 O ALA A 12 20.547 3.939 -0.624 1.00 0.00 O ATOM 177 CB ALA A 12 18.894 4.295 2.130 1.00 0.00 C ATOM 0 H ALA A 12 16.695 3.592 1.164 1.00 0.00 H new ATOM 0 HA ALA A 12 18.741 5.485 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 12 19.936 4.561 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.246 4.952 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.726 3.261 2.431 1.00 0.00 H new ATOM 183 N ARG A 13 19.116 2.299 -0.350 1.00 0.00 N ATOM 184 CA ARG A 13 19.975 1.358 -1.124 1.00 0.00 C ATOM 185 C ARG A 13 19.696 1.512 -2.622 1.00 0.00 C ATOM 186 O ARG A 13 20.526 1.195 -3.449 1.00 0.00 O ATOM 187 CB ARG A 13 19.675 -0.079 -0.694 1.00 0.00 C ATOM 188 CG ARG A 13 19.773 -0.189 0.831 1.00 0.00 C ATOM 189 CD ARG A 13 21.242 -0.237 1.251 1.00 0.00 C ATOM 190 NE ARG A 13 21.330 -0.336 2.736 1.00 0.00 N ATOM 191 CZ ARG A 13 20.775 0.579 3.484 1.00 0.00 C ATOM 192 NH1 ARG A 13 21.149 1.824 3.378 1.00 0.00 N ATOM 193 NH2 ARG A 13 19.845 0.247 4.337 1.00 0.00 N1+ ATOM 0 H ARG A 13 18.247 1.901 0.005 1.00 0.00 H new ATOM 0 HA ARG A 13 21.023 1.586 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.678 -0.368 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.380 -0.765 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.279 0.662 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.257 -1.086 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 13 21.736 -1.092 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.760 0.657 0.904 1.00 0.00 H new ATOM 0 HE ARG A 13 21.823 -1.118 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.875 2.083 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.715 2.538 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.552 -0.727 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.411 0.961 4.922 1.00 0.00 H new HETATM 207 N CGU A 14 18.541 2.003 -2.981 1.00 0.00 N HETATM 208 CA CGU A 14 18.221 2.181 -4.405 1.00 0.00 C HETATM 209 C CGU A 14 19.344 2.968 -5.079 1.00 0.00 C HETATM 210 O CGU A 14 19.756 2.665 -6.182 1.00 0.00 O HETATM 211 CB CGU A 14 16.914 2.953 -4.482 1.00 0.00 C HETATM 212 CG CGU A 14 15.801 2.025 -4.957 1.00 0.00 C HETATM 213 CD1 CGU A 14 16.138 1.484 -6.348 1.00 0.00 C HETATM 214 CD2 CGU A 14 14.482 2.797 -5.033 1.00 0.00 C HETATM 215 OE11 CGU A 14 16.504 2.277 -7.199 1.00 0.00 O HETATM 216 OE12 CGU A 14 16.023 0.283 -6.538 1.00 0.00 O HETATM 217 OE21 CGU A 14 13.878 3.002 -3.993 1.00 0.00 O HETATM 218 OE22 CGU A 14 14.098 3.170 -6.130 1.00 0.00 O HETATM 0 HG CGU A 14 15.705 1.199 -4.253 1.00 0.00 H new HETATM 0 HB3 CGU A 14 16.665 3.366 -3.504 1.00 0.00 H new HETATM 0 HB2 CGU A 14 17.017 3.795 -5.167 1.00 0.00 H new HETATM 0 HA CGU A 14 18.122 1.221 -4.912 1.00 0.00 H new ATOM 224 N LEU A 15 19.851 3.970 -4.417 1.00 0.00 N ATOM 225 CA LEU A 15 20.957 4.769 -5.010 1.00 0.00 C ATOM 226 C LEU A 15 22.064 3.817 -5.462 1.00 0.00 C ATOM 227 O LEU A 15 22.757 4.062 -6.429 1.00 0.00 O ATOM 228 CB LEU A 15 21.505 5.735 -3.955 1.00 0.00 C ATOM 229 CG LEU A 15 22.110 4.941 -2.792 1.00 0.00 C ATOM 230 CD1 LEU A 15 23.541 4.509 -3.135 1.00 0.00 C ATOM 231 CD2 LEU A 15 22.131 5.818 -1.537 1.00 0.00 C ATOM 0 H LEU A 15 19.547 4.270 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 15 20.592 5.340 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.262 6.382 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 15 20.707 6.381 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 15 21.504 4.053 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.961 3.946 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.528 3.882 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.153 5.392 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 15 22.561 5.256 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 22.734 6.707 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.113 6.116 -1.284 1.00 0.00 H new ATOM 243 N ALA A 16 22.230 2.725 -4.766 1.00 0.00 N ATOM 244 CA ALA A 16 23.283 1.746 -5.147 1.00 0.00 C ATOM 245 C ALA A 16 23.226 1.504 -6.656 1.00 0.00 C ATOM 246 O ALA A 16 24.238 1.461 -7.325 1.00 0.00 O ATOM 247 CB ALA A 16 23.037 0.430 -4.405 1.00 0.00 C ATOM 0 H ALA A 16 21.678 2.470 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 16 24.265 2.136 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.806 -0.292 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.073 0.606 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 16 22.057 0.037 -4.676 1.00 0.00 H new ATOM 253 N ASN A 17 22.046 1.349 -7.195 1.00 0.00 N ATOM 254 CA ASN A 17 21.915 1.112 -8.661 1.00 0.00 C ATOM 255 C ASN A 17 23.112 0.298 -9.159 1.00 0.00 C ATOM 256 O ASN A 17 24.136 0.848 -9.515 1.00 0.00 O ATOM 257 CB ASN A 17 21.870 2.454 -9.394 1.00 0.00 C ATOM 258 CG ASN A 17 21.726 2.211 -10.897 1.00 0.00 C ATOM 259 OD1 ASN A 17 22.566 1.576 -11.504 1.00 0.00 O ATOM 260 ND2 ASN A 17 20.688 2.690 -11.526 1.00 0.00 N ATOM 0 H ASN A 17 21.165 1.377 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 17 20.996 0.560 -8.857 1.00 0.00 H new ATOM 0 HB2 ASN A 17 21.034 3.051 -9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 17 22.779 3.021 -9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 17 20.581 2.532 -12.528 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.984 3.223 -11.016 1.00 0.00 H new HETATM 267 N NH2 A 18 23.026 -1.004 -9.198 1.00 0.00 N TER 270 NH2 A 18