USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 126 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 23 GLN : amide:sc= -8.88! C(o=-8.9!,f=-25!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 2.449 18.502 10.582 1.00 0.00 N ATOM 81 CA LEU A 7 2.847 17.318 9.838 1.00 0.00 C ATOM 82 C LEU A 7 1.646 16.380 9.702 1.00 0.00 C ATOM 83 O LEU A 7 1.774 15.172 9.896 1.00 0.00 O ATOM 84 CB LEU A 7 4.068 16.663 10.487 1.00 0.00 C ATOM 85 CG LEU A 7 5.387 17.428 10.356 1.00 0.00 C ATOM 86 CD1 LEU A 7 6.037 17.172 8.994 1.00 0.00 C ATOM 87 CD2 LEU A 7 5.185 18.921 10.623 1.00 0.00 C ATOM 0 HA LEU A 7 3.158 17.588 8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.858 16.519 11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.200 15.673 10.050 1.00 0.00 H new ATOM 0 HG LEU A 7 6.074 17.056 11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.973 17.727 8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.239 16.107 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.363 17.499 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.138 19.441 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.474 19.326 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.799 19.061 11.633 1.00 0.00 H new ATOM 98 N THR A 8 0.508 16.970 9.368 1.00 0.00 N ATOM 99 CA THR A 8 -0.714 16.203 9.204 1.00 0.00 C ATOM 100 C THR A 8 -0.917 15.833 7.733 1.00 0.00 C ATOM 101 O THR A 8 -1.317 14.712 7.420 1.00 0.00 O ATOM 102 CB THR A 8 -1.867 17.018 9.790 1.00 0.00 C ATOM 103 OG1 THR A 8 -1.741 16.837 11.198 1.00 0.00 O ATOM 104 CG2 THR A 8 -3.236 16.419 9.460 1.00 0.00 C ATOM 0 H THR A 8 0.407 17.972 9.206 1.00 0.00 H new ATOM 0 HA THR A 8 -0.662 15.256 9.741 1.00 0.00 H new ATOM 0 HB THR A 8 -1.817 18.039 9.412 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.450 17.334 11.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.019 17.037 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.367 16.384 8.378 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.299 15.409 9.866 1.00 0.00 H new ATOM 132 N HIS A 10 0.999 14.987 5.735 1.00 0.00 N ATOM 133 CA HIS A 10 1.790 13.807 5.428 1.00 0.00 C ATOM 134 C HIS A 10 1.005 12.550 5.809 1.00 0.00 C ATOM 135 O HIS A 10 1.285 11.463 5.306 1.00 0.00 O ATOM 136 CB HIS A 10 3.159 13.879 6.107 1.00 0.00 C ATOM 137 CG HIS A 10 4.184 14.678 5.339 1.00 0.00 C ATOM 138 ND1 HIS A 10 3.954 15.973 4.907 1.00 0.00 N ATOM 139 CD2 HIS A 10 5.445 14.354 4.931 1.00 0.00 C ATOM 140 CE1 HIS A 10 5.035 16.398 4.268 1.00 0.00 C ATOM 141 NE2 HIS A 10 5.957 15.394 4.284 1.00 0.00 N ATOM 0 HA HIS A 10 1.983 13.763 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.039 14.318 7.098 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.536 12.866 6.250 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.942 13.411 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.163 17.370 3.814 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.887 15.435 3.867 1.00 0.00 H new ATOM 149 N LEU A 11 0.037 12.741 6.693 1.00 0.00 N ATOM 150 CA LEU A 11 -0.790 11.636 7.146 1.00 0.00 C ATOM 151 C LEU A 11 -1.693 11.177 6.000 1.00 0.00 C ATOM 152 O LEU A 11 -2.350 10.142 6.099 1.00 0.00 O ATOM 153 CB LEU A 11 -1.556 12.024 8.414 1.00 0.00 C ATOM 154 CG LEU A 11 -0.701 12.455 9.608 1.00 0.00 C ATOM 155 CD1 LEU A 11 -1.576 12.978 10.748 1.00 0.00 C ATOM 156 CD2 LEU A 11 0.215 11.316 10.064 1.00 0.00 C ATOM 0 H LEU A 11 -0.193 13.644 7.107 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.168 10.785 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.238 12.838 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.169 11.176 8.719 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.060 13.278 9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.944 13.277 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.150 13.837 10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.259 12.193 11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.812 11.647 10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.390 10.458 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.876 11.030 9.245 1.00 0.00 H new ATOM 167 N LEU A 12 -1.697 11.969 4.938 1.00 0.00 N ATOM 168 CA LEU A 12 -2.508 11.656 3.774 1.00 0.00 C ATOM 169 C LEU A 12 -1.712 10.755 2.829 1.00 0.00 C ATOM 170 O LEU A 12 -2.208 9.722 2.384 1.00 0.00 O ATOM 171 CB LEU A 12 -3.018 12.940 3.115 1.00 0.00 C ATOM 172 CG LEU A 12 -2.236 13.421 1.892 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.402 12.453 0.719 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.633 14.851 1.515 1.00 0.00 C ATOM 0 H LEU A 12 -1.151 12.827 4.859 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.398 11.101 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.056 12.786 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.013 13.735 3.861 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.177 13.437 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.836 12.819 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.032 11.468 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.457 12.381 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.062 15.169 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.698 14.884 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.422 15.519 2.350 1.00 0.00 H new ATOM 185 N ARG A 13 -0.488 11.180 2.550 1.00 0.00 N ATOM 186 CA ARG A 13 0.384 10.423 1.666 1.00 0.00 C ATOM 187 C ARG A 13 0.906 9.174 2.377 1.00 0.00 C ATOM 188 O ARG A 13 1.098 8.134 1.750 1.00 0.00 O ATOM 189 CB ARG A 13 1.570 11.273 1.204 1.00 0.00 C ATOM 190 CG ARG A 13 2.195 12.027 2.379 1.00 0.00 C ATOM 191 CD ARG A 13 3.643 12.419 2.072 1.00 0.00 C ATOM 192 NE ARG A 13 4.564 11.362 2.546 1.00 0.00 N ATOM 193 CZ ARG A 13 5.802 11.174 2.068 1.00 0.00 C ATOM 194 NH1 ARG A 13 6.273 11.972 1.098 1.00 0.00 N ATOM 195 NH2 ARG A 13 6.568 10.190 2.558 1.00 0.00 N ATOM 0 H ARG A 13 -0.079 12.038 2.920 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.200 10.130 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.320 10.634 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.240 11.983 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.610 12.921 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.165 11.404 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.769 12.568 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.883 13.366 2.556 1.00 0.00 H new ATOM 0 HE ARG A 13 4.236 10.737 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.689 12.721 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.215 11.830 0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.209 9.583 3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.510 10.048 2.194 1.00 0.00 H new ATOM 206 N GLU A 14 1.121 9.317 3.677 1.00 0.00 N ATOM 207 CA GLU A 14 1.617 8.213 4.479 1.00 0.00 C ATOM 208 C GLU A 14 0.543 7.130 4.615 1.00 0.00 C ATOM 209 O GLU A 14 0.827 5.945 4.445 1.00 0.00 O ATOM 210 CB GLU A 14 2.081 8.698 5.854 1.00 0.00 C ATOM 211 CG GLU A 14 3.423 9.426 5.754 1.00 0.00 C ATOM 212 CD GLU A 14 3.993 9.719 7.143 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.748 8.888 8.045 1.00 0.00 O ATOM 214 OE2 GLU A 14 4.661 10.767 7.273 1.00 0.00 O ATOM 0 H GLU A 14 0.960 10.181 4.194 1.00 0.00 H new ATOM 0 HA GLU A 14 2.480 7.781 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.332 9.365 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.173 7.849 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.129 8.818 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.295 10.359 5.206 1.00 0.00 H new ATOM 219 N VAL A 15 -0.667 7.576 4.917 1.00 0.00 N ATOM 220 CA VAL A 15 -1.783 6.660 5.076 1.00 0.00 C ATOM 221 C VAL A 15 -2.180 6.103 3.708 1.00 0.00 C ATOM 222 O VAL A 15 -2.407 4.903 3.564 1.00 0.00 O ATOM 223 CB VAL A 15 -2.938 7.363 5.792 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.200 6.497 5.780 1.00 0.00 C ATOM 225 CG2 VAL A 15 -2.547 7.743 7.222 1.00 0.00 C ATOM 0 H VAL A 15 -0.899 8.560 5.056 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.496 5.814 5.701 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.158 8.282 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.005 7.020 6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.496 6.300 4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.998 5.553 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.386 8.241 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.287 6.843 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.690 8.416 7.198 1.00 0.00 H new ATOM 235 N LEU A 16 -2.250 7.001 2.736 1.00 0.00 N ATOM 236 CA LEU A 16 -2.615 6.614 1.384 1.00 0.00 C ATOM 237 C LEU A 16 -1.929 5.292 1.034 1.00 0.00 C ATOM 238 O LEU A 16 -2.549 4.401 0.455 1.00 0.00 O ATOM 239 CB LEU A 16 -2.307 7.745 0.401 1.00 0.00 C ATOM 240 CG LEU A 16 -3.461 8.702 0.096 1.00 0.00 C ATOM 241 CD1 LEU A 16 -2.970 9.927 -0.677 1.00 0.00 C ATOM 242 CD2 LEU A 16 -4.594 7.979 -0.636 1.00 0.00 C ATOM 0 H LEU A 16 -2.060 7.996 2.858 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.690 6.445 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.474 8.326 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.970 7.303 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.865 9.060 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.811 10.590 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.225 10.457 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.524 9.608 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.402 8.682 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.219 7.573 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.969 7.167 -0.014 1.00 0.00 H new ATOM 253 N GLU A 17 -0.658 5.206 1.401 1.00 0.00 N ATOM 254 CA GLU A 17 0.119 4.008 1.132 1.00 0.00 C ATOM 255 C GLU A 17 -0.682 2.760 1.515 1.00 0.00 C ATOM 256 O GLU A 17 -0.733 1.795 0.755 1.00 0.00 O ATOM 257 CB GLU A 17 1.458 4.047 1.870 1.00 0.00 C ATOM 258 CG GLU A 17 2.514 4.791 1.048 1.00 0.00 C ATOM 259 CD GLU A 17 3.846 4.858 1.799 1.00 0.00 C ATOM 260 OE1 GLU A 17 4.180 3.846 2.452 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.499 5.919 1.701 1.00 0.00 O ATOM 0 H GLU A 17 -0.148 5.946 1.882 1.00 0.00 H new ATOM 0 HA GLU A 17 0.331 3.967 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.331 4.537 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.797 3.031 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.656 4.288 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.165 5.800 0.829 1.00 0.00 H new ATOM 285 N ALA A 19 -4.301 0.814 2.922 1.00 0.00 N ATOM 286 CA ALA A 19 -5.727 0.858 2.645 1.00 0.00 C ATOM 287 C ALA A 19 -5.952 0.760 1.135 1.00 0.00 C ATOM 288 O ALA A 19 -7.085 0.599 0.683 1.00 0.00 O ATOM 289 CB ALA A 19 -6.323 2.134 3.243 1.00 0.00 C ATOM 0 HA ALA A 19 -6.235 0.013 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.393 2.168 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.162 2.140 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.840 3.004 2.799 1.00 0.00 H new ATOM 295 N ARG A 20 -4.856 0.863 0.398 1.00 0.00 N ATOM 296 CA ARG A 20 -4.920 0.787 -1.052 1.00 0.00 C ATOM 297 C ARG A 20 -3.827 -0.140 -1.584 1.00 0.00 C ATOM 298 O ARG A 20 -3.304 0.074 -2.676 1.00 0.00 O ATOM 299 CB ARG A 20 -4.757 2.172 -1.683 1.00 0.00 C ATOM 300 CG ARG A 20 -5.355 3.257 -0.785 1.00 0.00 C ATOM 301 CD ARG A 20 -6.041 4.342 -1.619 1.00 0.00 C ATOM 302 NE ARG A 20 -7.458 4.472 -1.212 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.266 5.462 -1.614 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.803 6.414 -2.435 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.538 5.501 -1.195 1.00 0.00 N ATOM 0 H ARG A 20 -3.919 0.998 0.777 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.899 0.390 -1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.700 2.377 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.245 2.191 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.075 2.811 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.569 3.704 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.527 5.294 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.980 4.092 -2.678 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.843 3.764 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.835 6.385 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.419 7.167 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.891 4.777 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.153 6.255 -1.501 1.00 0.00 H new ATOM 316 N ALA A 21 -3.512 -1.151 -0.786 1.00 0.00 N ATOM 317 CA ALA A 21 -2.490 -2.112 -1.163 1.00 0.00 C ATOM 318 C ALA A 21 -2.427 -3.221 -0.113 1.00 0.00 C ATOM 319 O ALA A 21 -2.205 -4.385 -0.446 1.00 0.00 O ATOM 320 CB ALA A 21 -1.150 -1.393 -1.333 1.00 0.00 C ATOM 0 H ALA A 21 -3.947 -1.325 0.120 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.734 -2.576 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.383 -2.114 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.240 -0.635 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.871 -0.917 -0.393 1.00 0.00 H new ATOM 326 N GLU A 22 -2.626 -2.824 1.135 1.00 0.00 N ATOM 327 CA GLU A 22 -2.596 -3.770 2.236 1.00 0.00 C ATOM 328 C GLU A 22 -3.719 -4.798 2.085 1.00 0.00 C ATOM 329 O GLU A 22 -3.735 -5.813 2.780 1.00 0.00 O ATOM 330 CB GLU A 22 -2.691 -3.049 3.582 1.00 0.00 C ATOM 331 CG GLU A 22 -4.147 -2.905 4.026 1.00 0.00 C ATOM 332 CD GLU A 22 -4.253 -2.060 5.297 1.00 0.00 C ATOM 333 OE1 GLU A 22 -4.064 -0.830 5.178 1.00 0.00 O ATOM 334 OE2 GLU A 22 -4.520 -2.663 6.359 1.00 0.00 O ATOM 0 H GLU A 22 -2.809 -1.858 1.408 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.642 -4.297 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.131 -3.603 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.232 -2.063 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.730 -2.443 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.576 -3.891 4.204 1.00 0.00 H new ATOM 339 N GLN A 23 -4.632 -4.499 1.173 1.00 0.00 N ATOM 340 CA GLN A 23 -5.757 -5.385 0.921 1.00 0.00 C ATOM 341 C GLN A 23 -5.547 -6.151 -0.385 1.00 0.00 C ATOM 342 O GLN A 23 -6.506 -6.445 -1.098 1.00 0.00 O ATOM 343 CB GLN A 23 -7.074 -4.605 0.894 1.00 0.00 C ATOM 344 CG GLN A 23 -7.084 -3.587 -0.248 1.00 0.00 C ATOM 345 CD GLN A 23 -6.815 -2.174 0.275 1.00 0.00 C ATOM 346 OE1 GLN A 23 -5.894 -1.494 -0.146 1.00 0.00 O ATOM 347 NE2 GLN A 23 -7.667 -1.773 1.215 1.00 0.00 N ATOM 0 H GLN A 23 -4.616 -3.656 0.599 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.816 -6.106 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.908 -5.297 0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.217 -4.092 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.328 -3.856 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.048 -3.614 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.417 -2.393 1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.571 -0.846 1.629 1.00 0.00 H new ATOM 354 N LEU A 24 -4.287 -6.454 -0.662 1.00 0.00 N ATOM 355 CA LEU A 24 -3.939 -7.181 -1.870 1.00 0.00 C ATOM 356 C LEU A 24 -2.422 -7.140 -2.065 1.00 0.00 C ATOM 357 O LEU A 24 -1.941 -6.943 -3.180 1.00 0.00 O ATOM 358 CB LEU A 24 -4.727 -6.642 -3.066 1.00 0.00 C ATOM 359 CG LEU A 24 -4.891 -5.122 -3.130 1.00 0.00 C ATOM 360 CD1 LEU A 24 -3.906 -4.506 -4.125 1.00 0.00 C ATOM 361 CD2 LEU A 24 -6.338 -4.740 -3.445 1.00 0.00 C ATOM 0 H LEU A 24 -3.494 -6.209 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.221 -8.230 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.234 -6.973 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.719 -7.095 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.656 -4.711 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.044 -3.425 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.886 -4.735 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.086 -4.919 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.427 -3.654 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.625 -5.163 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.995 -5.130 -2.667 1.00 0.00 H new ATOM 372 N ALA A 25 -1.711 -7.332 -0.965 1.00 0.00 N ATOM 373 CA ALA A 25 -0.257 -7.320 -1.000 1.00 0.00 C ATOM 374 C ALA A 25 0.286 -7.613 0.400 1.00 0.00 C ATOM 375 O ALA A 25 1.291 -7.038 0.812 1.00 0.00 O ATOM 376 CB ALA A 25 0.229 -5.976 -1.545 1.00 0.00 C ATOM 0 H ALA A 25 -2.114 -7.497 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 25 0.117 -8.097 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.319 -5.967 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.160 -5.830 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.125 -5.172 -0.900 1.00 0.00 H new