USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 263 hydrogens (37 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 26 LYS HZ1 : A 26 LYS NZ : A1038 D6M C07 :(NH2R) USER MOD NoAdj-H: A 26 LYS HZ2 : A 26 LYS NZ : A1038 D6M C07 :(NH2R) USER MOD Single : A 7 HIS : no HD1:sc=-0.00546 X(o=-0.0055,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -51:sc= 0.0761 USER MOD Single : A 18 SER OG : rot 59:sc= 0.692 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.554 K(o=-0.55,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -1.44 (180deg=-1.44) USER MOD Single : A1038 D6M O11 : rot -80:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -29.176 5.706 0.104 1.00 0.00 N ATOM 2 CA HIS A 7 -28.109 4.912 -0.559 1.00 0.00 C ATOM 3 C HIS A 7 -27.026 4.506 0.434 1.00 0.00 C ATOM 4 O HIS A 7 -26.736 5.234 1.384 1.00 0.00 O ATOM 5 CB HIS A 7 -27.505 5.753 -1.685 1.00 0.00 C ATOM 6 CG HIS A 7 -28.528 6.366 -2.590 1.00 0.00 C ATOM 7 ND1 HIS A 7 -28.989 5.748 -3.734 1.00 0.00 N ATOM 8 CD2 HIS A 7 -29.182 7.549 -2.515 1.00 0.00 C ATOM 9 CE1 HIS A 7 -29.880 6.525 -4.323 1.00 0.00 C ATOM 10 NE2 HIS A 7 -30.016 7.623 -3.603 1.00 0.00 N ATOM 0 HA HIS A 7 -28.542 3.997 -0.963 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -26.896 6.545 -1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -26.837 5.127 -2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -29.069 8.296 -1.743 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -30.408 6.300 -5.238 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -30.640 8.400 -3.820 1.00 0.00 H new ATOM 21 N ALA A 8 -26.430 3.340 0.209 1.00 0.00 N ATOM 22 CA ALA A 8 -25.379 2.837 1.085 1.00 0.00 C ATOM 23 C ALA A 8 -24.645 1.664 0.444 1.00 0.00 C ATOM 24 O ALA A 8 -25.198 0.573 0.307 1.00 0.00 O ATOM 25 CB ALA A 8 -25.962 2.427 2.428 1.00 0.00 C ATOM 0 H ALA A 8 -26.657 2.726 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 8 -24.659 3.639 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -25.166 2.053 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -26.434 3.290 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -26.705 1.644 2.278 1.00 0.00 H new ATOM 31 N GLU A 9 -23.396 1.896 0.054 1.00 0.00 N ATOM 32 CA GLU A 9 -22.585 0.857 -0.572 1.00 0.00 C ATOM 33 C GLU A 9 -21.972 -0.061 0.479 1.00 0.00 C ATOM 34 O GLU A 9 -21.156 0.369 1.295 1.00 0.00 O ATOM 35 CB GLU A 9 -21.481 1.487 -1.424 1.00 0.00 C ATOM 36 CG GLU A 9 -20.636 0.469 -2.172 1.00 0.00 C ATOM 37 CD GLU A 9 -21.267 0.038 -3.482 1.00 0.00 C ATOM 38 OE1 GLU A 9 -22.278 -0.695 -3.440 1.00 0.00 O ATOM 39 OE2 GLU A 9 -20.752 0.433 -4.548 1.00 0.00 O ATOM 0 H GLU A 9 -22.923 2.794 0.160 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.234 0.261 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -21.933 2.170 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.833 2.083 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.652 0.894 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.484 -0.406 -1.540 1.00 0.00 H new ATOM 46 N GLY A 10 -22.369 -1.329 0.455 1.00 0.00 N ATOM 47 CA GLY A 10 -21.848 -2.289 1.411 1.00 0.00 C ATOM 48 C GLY A 10 -20.461 -2.779 1.044 1.00 0.00 C ATOM 49 O GLY A 10 -20.308 -3.623 0.160 1.00 0.00 O ATOM 0 H GLY A 10 -23.043 -1.709 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.819 -1.832 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.526 -3.140 1.473 1.00 0.00 H new ATOM 53 N THR A 11 -19.449 -2.250 1.724 1.00 0.00 N ATOM 54 CA THR A 11 -18.068 -2.639 1.465 1.00 0.00 C ATOM 55 C THR A 11 -17.163 -2.232 2.624 1.00 0.00 C ATOM 56 O THR A 11 -17.573 -1.486 3.513 1.00 0.00 O ATOM 57 CB THR A 11 -17.571 -2.006 0.163 1.00 0.00 C ATOM 58 OG1 THR A 11 -18.402 -0.924 -0.219 1.00 0.00 O ATOM 59 CG2 THR A 11 -17.523 -2.979 -0.995 1.00 0.00 C ATOM 0 H THR A 11 -19.560 -1.551 2.458 1.00 0.00 H new ATOM 0 HA THR A 11 -18.034 -3.724 1.366 1.00 0.00 H new ATOM 0 HB THR A 11 -16.557 -1.668 0.375 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.067 -0.532 -1.052 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.162 -2.466 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.850 -3.801 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.522 -3.372 -1.182 1.00 0.00 H new ATOM 67 N PHE A 12 -15.929 -2.726 2.607 1.00 0.00 N ATOM 68 CA PHE A 12 -14.966 -2.414 3.656 1.00 0.00 C ATOM 69 C PHE A 12 -13.552 -2.796 3.229 1.00 0.00 C ATOM 70 O PHE A 12 -12.627 -1.990 3.318 1.00 0.00 O ATOM 71 CB PHE A 12 -15.335 -3.142 4.949 1.00 0.00 C ATOM 72 CG PHE A 12 -14.420 -2.826 6.098 1.00 0.00 C ATOM 73 CD1 PHE A 12 -14.049 -1.519 6.367 1.00 0.00 C ATOM 74 CD2 PHE A 12 -13.932 -3.838 6.910 1.00 0.00 C ATOM 75 CE1 PHE A 12 -13.208 -1.226 7.423 1.00 0.00 C ATOM 76 CE2 PHE A 12 -13.090 -3.551 7.968 1.00 0.00 C ATOM 77 CZ PHE A 12 -12.728 -2.243 8.225 1.00 0.00 C ATOM 0 H PHE A 12 -15.573 -3.344 1.878 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.994 -1.339 3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.356 -2.879 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.320 -4.217 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.422 -0.719 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.213 -4.862 6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.926 -0.203 7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.716 -4.348 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.071 -2.016 9.051 1.00 0.00 H new ATOM 87 N THR A 13 -13.394 -4.032 2.765 1.00 0.00 N ATOM 88 CA THR A 13 -12.093 -4.522 2.325 1.00 0.00 C ATOM 89 C THR A 13 -11.759 -4.003 0.930 1.00 0.00 C ATOM 90 O THR A 13 -10.595 -3.770 0.605 1.00 0.00 O ATOM 91 CB THR A 13 -12.072 -6.051 2.331 1.00 0.00 C ATOM 92 OG1 THR A 13 -10.838 -6.537 1.833 1.00 0.00 O ATOM 93 CG2 THR A 13 -13.177 -6.668 1.501 1.00 0.00 C ATOM 0 H THR A 13 -14.150 -4.712 2.684 1.00 0.00 H new ATOM 0 HA THR A 13 -11.340 -4.152 3.021 1.00 0.00 H new ATOM 0 HB THR A 13 -12.219 -6.338 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.843 -7.517 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.104 -7.755 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.145 -6.352 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.079 -6.343 0.465 1.00 0.00 H new ATOM 101 N SER A 14 -12.789 -3.824 0.108 1.00 0.00 N ATOM 102 CA SER A 14 -12.605 -3.332 -1.252 1.00 0.00 C ATOM 103 C SER A 14 -12.615 -1.807 -1.286 1.00 0.00 C ATOM 104 O SER A 14 -11.957 -1.191 -2.124 1.00 0.00 O ATOM 105 CB SER A 14 -13.700 -3.882 -2.168 1.00 0.00 C ATOM 106 OG SER A 14 -13.873 -5.275 -1.978 1.00 0.00 O ATOM 0 H SER A 14 -13.759 -4.012 0.361 1.00 0.00 H new ATOM 0 HA SER A 14 -11.635 -3.678 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.639 -3.365 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.442 -3.683 -3.208 1.00 0.00 H new ATOM 0 HG SER A 14 -14.579 -5.601 -2.574 1.00 0.00 H new ATOM 112 N ASP A 15 -13.367 -1.205 -0.370 1.00 0.00 N ATOM 113 CA ASP A 15 -13.464 0.248 -0.296 1.00 0.00 C ATOM 114 C ASP A 15 -12.198 0.849 0.306 1.00 0.00 C ATOM 115 O ASP A 15 -11.763 1.930 -0.092 1.00 0.00 O ATOM 116 CB ASP A 15 -14.681 0.657 0.535 1.00 0.00 C ATOM 117 CG ASP A 15 -14.990 2.137 0.420 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.655 2.530 -0.561 1.00 0.00 O ATOM 119 OD2 ASP A 15 -14.566 2.902 1.312 1.00 0.00 O ATOM 0 H ASP A 15 -13.918 -1.701 0.331 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.579 0.631 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.548 0.082 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.504 0.406 1.581 1.00 0.00 H new ATOM 124 N VAL A 16 -11.611 0.143 1.267 1.00 0.00 N ATOM 125 CA VAL A 16 -10.396 0.609 1.924 1.00 0.00 C ATOM 126 C VAL A 16 -9.190 0.494 0.996 1.00 0.00 C ATOM 127 O VAL A 16 -8.395 1.425 0.879 1.00 0.00 O ATOM 128 CB VAL A 16 -10.119 -0.179 3.220 1.00 0.00 C ATOM 129 CG1 VAL A 16 -9.903 -1.655 2.920 1.00 0.00 C ATOM 130 CG2 VAL A 16 -8.921 0.403 3.955 1.00 0.00 C ATOM 0 H VAL A 16 -11.957 -0.754 1.608 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.554 1.658 2.177 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.992 -0.090 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.709 -2.191 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.795 -2.064 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.050 -1.769 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.742 -0.167 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.040 0.350 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.121 1.443 4.211 1.00 0.00 H new ATOM 140 N SER A 17 -9.062 -0.652 0.336 1.00 0.00 N ATOM 141 CA SER A 17 -7.952 -0.885 -0.583 1.00 0.00 C ATOM 142 C SER A 17 -7.923 0.163 -1.695 1.00 0.00 C ATOM 143 O SER A 17 -6.897 0.361 -2.345 1.00 0.00 O ATOM 144 CB SER A 17 -8.057 -2.285 -1.193 1.00 0.00 C ATOM 145 OG SER A 17 -8.979 -2.306 -2.269 1.00 0.00 O ATOM 0 H SER A 17 -9.712 -1.434 0.420 1.00 0.00 H new ATOM 0 HA SER A 17 -7.025 -0.806 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.076 -2.606 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.370 -2.996 -0.428 1.00 0.00 H new ATOM 0 HG SER A 17 -9.827 -1.909 -1.981 1.00 0.00 H new ATOM 151 N SER A 18 -9.056 0.823 -1.915 1.00 0.00 N ATOM 152 CA SER A 18 -9.162 1.840 -2.955 1.00 0.00 C ATOM 153 C SER A 18 -8.224 3.018 -2.695 1.00 0.00 C ATOM 154 O SER A 18 -7.776 3.677 -3.634 1.00 0.00 O ATOM 155 CB SER A 18 -10.604 2.341 -3.056 1.00 0.00 C ATOM 156 OG SER A 18 -11.494 1.277 -3.350 1.00 0.00 O ATOM 0 H SER A 18 -9.915 0.671 -1.386 1.00 0.00 H new ATOM 0 HA SER A 18 -8.867 1.378 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.895 2.814 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.674 3.103 -3.832 1.00 0.00 H new ATOM 0 HG SER A 18 -11.431 0.595 -2.649 1.00 0.00 H new ATOM 162 N TYR A 19 -7.934 3.291 -1.425 1.00 0.00 N ATOM 163 CA TYR A 19 -7.055 4.403 -1.075 1.00 0.00 C ATOM 164 C TYR A 19 -5.583 3.997 -1.152 1.00 0.00 C ATOM 165 O TYR A 19 -4.766 4.708 -1.736 1.00 0.00 O ATOM 166 CB TYR A 19 -7.408 4.955 0.318 1.00 0.00 C ATOM 167 CG TYR A 19 -6.669 4.307 1.474 1.00 0.00 C ATOM 168 CD1 TYR A 19 -5.323 4.569 1.701 1.00 0.00 C ATOM 169 CD2 TYR A 19 -7.324 3.444 2.343 1.00 0.00 C ATOM 170 CE1 TYR A 19 -4.651 3.986 2.758 1.00 0.00 C ATOM 171 CE2 TYR A 19 -6.659 2.859 3.404 1.00 0.00 C ATOM 172 CZ TYR A 19 -5.323 3.132 3.606 1.00 0.00 C ATOM 173 OH TYR A 19 -4.658 2.551 4.661 1.00 0.00 O ATOM 0 H TYR A 19 -8.291 2.763 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.211 5.197 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.203 6.025 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.479 4.834 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.794 5.239 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.370 3.226 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.604 4.198 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.183 2.191 4.071 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.276 1.978 5.161 1.00 0.00 H new ATOM 183 N LEU A 20 -5.249 2.854 -0.561 1.00 0.00 N ATOM 184 CA LEU A 20 -3.872 2.369 -0.572 1.00 0.00 C ATOM 185 C LEU A 20 -3.477 1.883 -1.963 1.00 0.00 C ATOM 186 O LEU A 20 -4.327 1.465 -2.750 1.00 0.00 O ATOM 187 CB LEU A 20 -3.690 1.239 0.445 1.00 0.00 C ATOM 188 CG LEU A 20 -4.808 0.193 0.462 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.229 -1.213 0.407 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.677 0.363 1.699 1.00 0.00 C ATOM 0 H LEU A 20 -5.908 2.249 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.223 3.200 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.746 0.735 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.608 1.677 1.440 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.430 0.342 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.040 -1.941 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.649 -1.332 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.583 -1.374 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.467 -0.388 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.065 0.242 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.123 1.358 1.697 1.00 0.00 H new ATOM 202 N GLU A 21 -2.183 1.943 -2.260 1.00 0.00 N ATOM 203 CA GLU A 21 -1.675 1.510 -3.557 1.00 0.00 C ATOM 204 C GLU A 21 -1.980 0.034 -3.796 1.00 0.00 C ATOM 205 O GLU A 21 -2.919 -0.307 -4.516 1.00 0.00 O ATOM 206 CB GLU A 21 -0.167 1.753 -3.645 1.00 0.00 C ATOM 207 CG GLU A 21 0.199 3.156 -4.100 1.00 0.00 C ATOM 208 CD GLU A 21 0.688 3.195 -5.535 1.00 0.00 C ATOM 209 OE1 GLU A 21 1.468 2.299 -5.920 1.00 0.00 O ATOM 210 OE2 GLU A 21 0.291 4.121 -6.273 1.00 0.00 O ATOM 0 H GLU A 21 -1.467 2.287 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.175 2.095 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.280 1.569 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.269 1.031 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.671 3.805 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.973 3.556 -3.445 1.00 0.00 H new ATOM 217 N GLY A 22 -1.181 -0.838 -3.189 1.00 0.00 N ATOM 218 CA GLY A 22 -1.383 -2.266 -3.350 1.00 0.00 C ATOM 219 C GLY A 22 -0.320 -3.085 -2.643 1.00 0.00 C ATOM 220 O GLY A 22 0.145 -2.714 -1.566 1.00 0.00 O ATOM 0 H GLY A 22 -0.397 -0.581 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.365 -2.537 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.381 -2.513 -4.412 1.00 0.00 H new ATOM 224 N GLN A 23 0.064 -4.203 -3.252 1.00 0.00 N ATOM 225 CA GLN A 23 1.078 -5.078 -2.674 1.00 0.00 C ATOM 226 C GLN A 23 2.415 -4.353 -2.543 1.00 0.00 C ATOM 227 O GLN A 23 3.117 -4.503 -1.543 1.00 0.00 O ATOM 228 CB GLN A 23 1.244 -6.334 -3.532 1.00 0.00 C ATOM 229 CG GLN A 23 0.461 -7.530 -3.015 1.00 0.00 C ATOM 230 CD GLN A 23 1.293 -8.431 -2.123 1.00 0.00 C ATOM 231 OE1 GLN A 23 1.209 -9.656 -2.207 1.00 0.00 O ATOM 232 NE2 GLN A 23 2.103 -7.826 -1.262 1.00 0.00 N ATOM 0 H GLN A 23 -0.311 -4.524 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 23 0.747 -5.369 -1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.924 -6.113 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.301 -6.595 -3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.408 -7.178 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.087 -8.107 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.141 -6.807 -1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.688 -8.380 -0.636 1.00 0.00 H new ATOM 241 N ALA A 24 2.759 -3.568 -3.558 1.00 0.00 N ATOM 242 CA ALA A 24 4.011 -2.819 -3.556 1.00 0.00 C ATOM 243 C ALA A 24 4.096 -1.881 -2.354 1.00 0.00 C ATOM 244 O ALA A 24 5.183 -1.453 -1.965 1.00 0.00 O ATOM 245 CB ALA A 24 4.157 -2.034 -4.851 1.00 0.00 C ATOM 0 H ALA A 24 2.189 -3.434 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 24 4.830 -3.534 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.095 -1.480 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.155 -2.723 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.325 -1.337 -4.950 1.00 0.00 H new ATOM 251 N ALA A 25 2.944 -1.564 -1.769 1.00 0.00 N ATOM 252 CA ALA A 25 2.888 -0.678 -0.612 1.00 0.00 C ATOM 253 C ALA A 25 3.745 -1.202 0.539 1.00 0.00 C ATOM 254 O ALA A 25 4.120 -0.446 1.435 1.00 0.00 O ATOM 255 CB ALA A 25 1.446 -0.498 -0.162 1.00 0.00 C ATOM 0 H ALA A 25 2.035 -1.909 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 25 3.293 0.289 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.415 0.165 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.863 -0.063 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.026 -1.467 0.108 1.00 0.00 H new ATOM 261 N LYS A 26 4.056 -2.497 0.515 1.00 0.00 N ATOM 262 CA LYS A 26 4.872 -3.100 1.563 1.00 0.00 C ATOM 263 C LYS A 26 6.355 -2.884 1.282 1.00 0.00 C ATOM 264 O LYS A 26 7.081 -2.367 2.132 1.00 0.00 O ATOM 265 CB LYS A 26 4.551 -4.592 1.700 1.00 0.00 C ATOM 266 CG LYS A 26 4.270 -5.053 3.132 1.00 0.00 C ATOM 267 CD LYS A 26 3.511 -4.014 3.960 1.00 0.00 C ATOM 268 CE LYS A 26 2.293 -3.468 3.225 1.00 0.00 C ATOM 269 NZ LYS A 26 2.347 -2.013 3.068 1.00 0.00 N ATOM 0 H LYS A 26 3.757 -3.144 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 26 4.635 -2.613 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.684 -4.822 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.387 -5.168 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.693 -5.977 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.215 -5.282 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.194 -4.464 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.181 -3.191 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.224 -3.935 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.390 -3.739 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.499 -1.687 2.563 1.00 0.00 H new ATOM 281 N GLU A 27 6.803 -3.246 0.080 1.00 0.00 N ATOM 282 CA GLU A 27 8.203 -3.042 -0.292 1.00 0.00 C ATOM 283 C GLU A 27 8.585 -1.589 -0.025 1.00 0.00 C ATOM 284 O GLU A 27 9.730 -1.272 0.298 1.00 0.00 O ATOM 285 CB GLU A 27 8.424 -3.387 -1.766 1.00 0.00 C ATOM 286 CG GLU A 27 8.190 -4.854 -2.089 1.00 0.00 C ATOM 287 CD GLU A 27 9.270 -5.434 -2.981 1.00 0.00 C ATOM 288 OE1 GLU A 27 9.820 -4.683 -3.813 1.00 0.00 O ATOM 289 OE2 GLU A 27 9.565 -6.641 -2.848 1.00 0.00 O ATOM 0 H GLU A 27 6.227 -3.676 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 27 8.833 -3.700 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.758 -2.778 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.444 -3.120 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.146 -5.424 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.222 -4.965 -2.578 1.00 0.00 H new ATOM 296 N PHE A 28 7.584 -0.721 -0.138 1.00 0.00 N ATOM 297 CA PHE A 28 7.733 0.707 0.109 1.00 0.00 C ATOM 298 C PHE A 28 8.333 0.944 1.481 1.00 0.00 C ATOM 299 O PHE A 28 9.483 1.346 1.612 1.00 0.00 O ATOM 300 CB PHE A 28 6.351 1.345 0.059 1.00 0.00 C ATOM 301 CG PHE A 28 6.284 2.822 0.271 1.00 0.00 C ATOM 302 CD1 PHE A 28 7.207 3.709 -0.264 1.00 0.00 C ATOM 303 CD2 PHE A 28 5.246 3.318 1.018 1.00 0.00 C ATOM 304 CE1 PHE A 28 7.072 5.068 -0.049 1.00 0.00 C ATOM 305 CE2 PHE A 28 5.101 4.659 1.235 1.00 0.00 C ATOM 306 CZ PHE A 28 6.013 5.546 0.701 1.00 0.00 C ATOM 0 H PHE A 28 6.638 -0.993 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 28 8.391 1.141 -0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.908 1.120 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.727 0.865 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.034 3.337 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.528 2.633 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.793 5.756 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.273 5.025 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.901 6.607 0.868 1.00 0.00 H new ATOM 316 N ILE A 29 7.526 0.687 2.502 1.00 0.00 N ATOM 317 CA ILE A 29 7.933 0.872 3.882 1.00 0.00 C ATOM 318 C ILE A 29 9.328 0.294 4.167 1.00 0.00 C ATOM 319 O ILE A 29 9.971 0.668 5.145 1.00 0.00 O ATOM 320 CB ILE A 29 6.872 0.298 4.844 1.00 0.00 C ATOM 321 CG1 ILE A 29 6.676 1.253 6.027 1.00 0.00 C ATOM 322 CG2 ILE A 29 7.242 -1.104 5.318 1.00 0.00 C ATOM 323 CD1 ILE A 29 5.835 0.678 7.149 1.00 0.00 C ATOM 0 H ILE A 29 6.571 0.345 2.393 1.00 0.00 H new ATOM 0 HA ILE A 29 8.007 1.945 4.057 1.00 0.00 H new ATOM 0 HB ILE A 29 5.929 0.209 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.653 1.529 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.207 2.169 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.471 -1.475 5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.322 -1.769 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.198 -1.071 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.743 1.413 7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.844 0.428 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.312 -0.222 7.537 1.00 0.00 H new ATOM 335 N ALA A 30 9.799 -0.606 3.308 1.00 0.00 N ATOM 336 CA ALA A 30 11.123 -1.196 3.480 1.00 0.00 C ATOM 337 C ALA A 30 12.211 -0.266 2.928 1.00 0.00 C ATOM 338 O ALA A 30 13.382 -0.381 3.288 1.00 0.00 O ATOM 339 CB ALA A 30 11.189 -2.554 2.796 1.00 0.00 C ATOM 0 H ALA A 30 9.288 -0.941 2.491 1.00 0.00 H new ATOM 0 HA ALA A 30 11.301 -1.332 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.182 -2.982 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.444 -3.218 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.988 -2.435 1.731 1.00 0.00 H new ATOM 345 N TRP A 31 11.808 0.653 2.049 1.00 0.00 N ATOM 346 CA TRP A 31 12.729 1.610 1.433 1.00 0.00 C ATOM 347 C TRP A 31 13.138 2.702 2.418 1.00 0.00 C ATOM 348 O TRP A 31 14.320 3.007 2.579 1.00 0.00 O ATOM 349 CB TRP A 31 12.069 2.250 0.191 1.00 0.00 C ATOM 350 CG TRP A 31 11.889 3.750 0.275 1.00 0.00 C ATOM 351 CD1 TRP A 31 12.754 4.706 -0.180 1.00 0.00 C ATOM 352 CD2 TRP A 31 10.782 4.463 0.854 1.00 0.00 C ATOM 353 NE1 TRP A 31 12.256 5.963 0.084 1.00 0.00 N ATOM 354 CE2 TRP A 31 11.047 5.839 0.716 1.00 0.00 C ATOM 355 CE3 TRP A 31 9.593 4.075 1.477 1.00 0.00 C ATOM 356 CZ2 TRP A 31 10.163 6.819 1.180 1.00 0.00 C ATOM 357 CZ3 TRP A 31 8.725 5.045 1.935 1.00 0.00 C ATOM 358 CH2 TRP A 31 9.013 6.402 1.783 1.00 0.00 C ATOM 0 H TRP A 31 10.840 0.755 1.745 1.00 0.00 H new ATOM 0 HA TRP A 31 13.626 1.068 1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.674 2.019 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.094 1.788 0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 31 13.693 4.505 -0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.713 6.843 -0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.356 3.028 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.384 7.870 1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.806 4.749 2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.311 7.136 2.150 1.00 0.00 H new ATOM 369 N LEU A 32 12.138 3.310 3.036 1.00 0.00 N ATOM 370 CA LEU A 32 12.353 4.403 3.971 1.00 0.00 C ATOM 371 C LEU A 32 12.854 3.925 5.333 1.00 0.00 C ATOM 372 O LEU A 32 13.414 4.708 6.099 1.00 0.00 O ATOM 373 CB LEU A 32 11.072 5.241 4.097 1.00 0.00 C ATOM 374 CG LEU A 32 9.958 4.676 4.984 1.00 0.00 C ATOM 375 CD1 LEU A 32 9.674 3.228 4.643 1.00 0.00 C ATOM 376 CD2 LEU A 32 10.305 4.829 6.457 1.00 0.00 C ATOM 0 H LEU A 32 11.158 3.061 2.904 1.00 0.00 H new ATOM 0 HA LEU A 32 13.147 5.033 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.346 6.224 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.666 5.392 3.097 1.00 0.00 H new ATOM 0 HG LEU A 32 9.052 5.250 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.879 2.852 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.362 3.154 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.576 2.635 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.498 4.420 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.229 4.291 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.437 5.885 6.692 1.00 0.00 H new ATOM 388 N VAL A 33 12.664 2.646 5.636 1.00 0.00 N ATOM 389 CA VAL A 33 13.117 2.101 6.910 1.00 0.00 C ATOM 390 C VAL A 33 14.587 1.687 6.837 1.00 0.00 C ATOM 391 O VAL A 33 15.262 1.583 7.861 1.00 0.00 O ATOM 392 CB VAL A 33 12.261 0.893 7.348 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.850 0.225 8.584 1.00 0.00 C ATOM 394 CG2 VAL A 33 10.827 1.326 7.609 1.00 0.00 C ATOM 0 H VAL A 33 12.204 1.973 5.023 1.00 0.00 H new ATOM 0 HA VAL A 33 13.005 2.891 7.652 1.00 0.00 H new ATOM 0 HB VAL A 33 12.263 0.164 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.228 -0.623 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.859 -0.124 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.886 0.943 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.237 0.463 7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.812 2.077 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.403 1.749 6.698 1.00 0.00 H new ATOM 404 N ARG A 34 15.078 1.455 5.622 1.00 0.00 N ATOM 405 CA ARG A 34 16.466 1.057 5.425 1.00 0.00 C ATOM 406 C ARG A 34 17.368 2.280 5.293 1.00 0.00 C ATOM 407 O ARG A 34 18.378 2.397 5.987 1.00 0.00 O ATOM 408 CB ARG A 34 16.596 0.178 4.179 1.00 0.00 C ATOM 409 CG ARG A 34 17.957 -0.485 4.042 1.00 0.00 C ATOM 410 CD ARG A 34 18.653 -0.077 2.753 1.00 0.00 C ATOM 411 NE ARG A 34 19.956 -0.723 2.605 1.00 0.00 N ATOM 412 CZ ARG A 34 21.061 -0.313 3.223 1.00 0.00 C ATOM 413 NH1 ARG A 34 21.027 0.739 4.032 1.00 0.00 N ATOM 414 NH2 ARG A 34 22.204 -0.957 3.033 1.00 0.00 N ATOM 0 H ARG A 34 14.535 1.536 4.762 1.00 0.00 H new ATOM 0 HA ARG A 34 16.781 0.486 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.826 -0.593 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 34 16.406 0.786 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 34 18.581 -0.215 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.838 -1.568 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 34 18.022 -0.336 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 34 18.781 1.005 2.737 1.00 0.00 H new ATOM 0 HE ARG A 34 20.022 -1.536 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.150 1.238 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.877 1.048 4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 34 22.236 -1.766 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.051 -0.643 3.507 1.00 0.00 H new ATOM 428 N GLY A 35 16.996 3.189 4.398 1.00 0.00 N ATOM 429 CA GLY A 35 17.782 4.391 4.190 1.00 0.00 C ATOM 430 C GLY A 35 16.921 5.621 3.974 1.00 0.00 C ATOM 431 O GLY A 35 17.203 6.687 4.521 1.00 0.00 O ATOM 0 H GLY A 35 16.164 3.115 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.429 4.552 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.432 4.251 3.326 1.00 0.00 H new ATOM 435 N ARG A 36 15.869 5.471 3.172 1.00 0.00 N ATOM 436 CA ARG A 36 14.959 6.575 2.879 1.00 0.00 C ATOM 437 C ARG A 36 15.662 7.668 2.078 1.00 0.00 C ATOM 438 O ARG A 36 15.422 7.824 0.881 1.00 0.00 O ATOM 439 CB ARG A 36 14.387 7.159 4.173 1.00 0.00 C ATOM 440 CG ARG A 36 13.378 8.272 3.943 1.00 0.00 C ATOM 441 CD ARG A 36 12.395 8.377 5.097 1.00 0.00 C ATOM 442 NE ARG A 36 11.045 8.701 4.643 1.00 0.00 N ATOM 443 CZ ARG A 36 10.638 9.932 4.342 1.00 0.00 C ATOM 444 NH1 ARG A 36 11.477 10.956 4.431 1.00 0.00 N ATOM 445 NH2 ARG A 36 9.389 10.139 3.948 1.00 0.00 N ATOM 0 H ARG A 36 15.626 4.593 2.713 1.00 0.00 H new ATOM 0 HA ARG A 36 14.140 6.181 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.912 6.361 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.206 7.542 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.902 9.220 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.835 8.087 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.376 7.434 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.736 9.143 5.794 1.00 0.00 H new ATOM 0 HE ARG A 36 10.374 7.938 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.440 10.802 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.159 11.897 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.740 9.355 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.077 11.082 3.717 1.00 0.00 H new ATOM 459 N GLY A 37 16.528 8.422 2.745 1.00 0.00 N ATOM 460 CA GLY A 37 17.249 9.490 2.078 1.00 0.00 C ATOM 461 C GLY A 37 17.524 10.666 2.994 1.00 0.00 C ATOM 462 O GLY A 37 18.268 11.579 2.581 1.00 0.00 O ATOM 463 OXT GLY A 37 16.994 10.673 4.125 1.00 0.00 O ATOM 0 H GLY A 37 16.744 8.313 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 18.194 9.103 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.673 9.831 1.218 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 4.115 2.697 5.622 1.00 0.00 O HETATM 469 C02 D6M A1038 4.211 3.124 4.471 1.00 0.00 C HETATM 470 N03 D6M A1038 3.169 3.068 3.645 1.00 0.00 N HETATM 471 C04 D6M A1038 1.885 2.500 4.054 1.00 0.00 C HETATM 472 C05 D6M A1038 1.982 0.974 4.122 1.00 0.00 C HETATM 473 C06 D6M A1038 1.392 0.276 2.906 1.00 0.00 C HETATM 474 C07 D6M A1038 1.275 -1.228 3.081 1.00 0.00 C HETATM 475 O08 D6M A1038 0.152 -1.711 3.230 1.00 0.00 O HETATM 476 C09 D6M A1038 1.435 3.060 5.401 1.00 0.00 C HETATM 477 O10 D6M A1038 0.541 2.451 6.025 1.00 0.00 O HETATM 478 O11 D6M A1038 1.979 4.103 5.819 1.00 0.00 O HETATM 479 C12 D6M A1038 5.574 3.581 3.985 1.00 0.00 C HETATM 480 C13 D6M A1038 6.145 4.731 4.804 1.00 0.00 C HETATM 481 C14 D6M A1038 5.769 6.083 4.207 1.00 0.00 C HETATM 482 C15 D6M A1038 6.938 7.058 4.213 1.00 0.00 C HETATM 483 C16 D6M A1038 6.852 8.029 5.380 1.00 0.00 C HETATM 484 C17 D6M A1038 7.883 7.710 6.450 1.00 0.00 C HETATM 485 C18 D6M A1038 7.353 8.018 7.841 1.00 0.00 C HETATM 486 C19 D6M A1038 6.292 7.015 8.268 1.00 0.00 C HETATM 487 C20 D6M A1038 6.896 5.646 8.537 1.00 0.00 C HETATM 488 C21 D6M A1038 6.992 5.361 10.027 1.00 0.00 C HETATM 489 C22 D6M A1038 7.106 3.871 10.303 1.00 0.00 C HETATM 490 C23 D6M A1038 8.409 3.302 9.765 1.00 0.00 C HETATM 491 C24 D6M A1038 8.722 1.949 10.381 1.00 0.00 C HETATM 492 C25 D6M A1038 8.002 0.825 9.653 1.00 0.00 C HETATM 493 C26 D6M A1038 7.747 -0.357 10.563 1.00 0.00 C HETATM 0 H263 D6M A1038 8.697 -0.742 10.934 1.00 0.00 H new HETATM 0 H262 D6M A1038 7.129 -0.042 11.404 1.00 0.00 H new HETATM 0 H261 D6M A1038 7.231 -1.140 10.007 1.00 0.00 H new HETATM 0 H252 D6M A1038 7.054 1.194 9.261 1.00 0.00 H new HETATM 0 H251 D6M A1038 8.598 0.505 8.798 1.00 0.00 H new HETATM 0 H242 D6M A1038 9.797 1.774 10.350 1.00 0.00 H new HETATM 0 H241 D6M A1038 8.430 1.950 11.431 1.00 0.00 H new HETATM 0 H232 D6M A1038 8.344 3.203 8.681 1.00 0.00 H new HETATM 0 H231 D6M A1038 9.224 3.995 9.974 1.00 0.00 H new HETATM 0 H222 D6M A1038 7.046 3.693 11.377 1.00 0.00 H new HETATM 0 H221 D6M A1038 6.264 3.350 9.846 1.00 0.00 H new HETATM 0 H212 D6M A1038 7.858 5.876 10.442 1.00 0.00 H new HETATM 0 H211 D6M A1038 6.112 5.759 10.532 1.00 0.00 H new HETATM 0 H202 D6M A1038 6.288 4.879 8.057 1.00 0.00 H new HETATM 0 H201 D6M A1038 7.889 5.591 8.091 1.00 0.00 H new HETATM 0 H192 D6M A1038 5.790 7.375 9.166 1.00 0.00 H new HETATM 0 H191 D6M A1038 5.533 6.933 7.490 1.00 0.00 H new HETATM 0 H182 D6M A1038 8.176 8.006 8.556 1.00 0.00 H new HETATM 0 H181 D6M A1038 6.932 9.023 7.857 1.00 0.00 H new HETATM 0 H172 D6M A1038 8.159 6.657 6.389 1.00 0.00 H new HETATM 0 H171 D6M A1038 8.789 8.288 6.268 1.00 0.00 H new HETATM 0 H162 D6M A1038 7.004 9.046 5.020 1.00 0.00 H new HETATM 0 H161 D6M A1038 5.853 7.990 5.814 1.00 0.00 H new HETATM 0 H152 D6M A1038 7.875 6.503 4.269 1.00 0.00 H new HETATM 0 H151 D6M A1038 6.953 7.615 3.276 1.00 0.00 H new HETATM 0 H142 D6M A1038 5.420 5.942 3.184 1.00 0.00 H new HETATM 0 H141 D6M A1038 4.939 6.509 4.771 1.00 0.00 H new HETATM 0 H132 D6M A1038 5.776 4.669 5.828 1.00 0.00 H new HETATM 0 H131 D6M A1038 7.230 4.642 4.851 1.00 0.00 H new HETATM 0 H122 D6M A1038 6.266 2.740 4.019 1.00 0.00 H new HETATM 0 H121 D6M A1038 5.497 3.889 2.942 1.00 0.00 H new HETATM 0 H062 D6M A1038 0.405 0.690 2.700 1.00 0.00 H new HETATM 0 H061 D6M A1038 2.014 0.487 2.036 1.00 0.00 H new HETATM 0 H052 D6M A1038 3.029 0.688 4.223 1.00 0.00 H new HETATM 0 H051 D6M A1038 1.468 0.624 5.017 1.00 0.00 H new HETATM 0 H11 D6M A1038 2.843 3.881 6.224 1.00 0.00 H new HETATM 0 H04 D6M A1038 1.140 2.779 3.309 1.00 0.00 H new HETATM 0 H03 D6M A1038 3.269 3.432 2.698 1.00 0.00 H new