USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=8 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 :FLIP no HD1:sc= -0.0982 F(o=-0.76,f=-0.098) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.0497 (180deg=-0.0497) USER MOD Single : A1038 D6M O11 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -32.254 -5.103 -0.376 1.00 0.00 N ATOM 2 CA HIS A 7 -30.771 -5.039 -0.436 1.00 0.00 C ATOM 3 C HIS A 7 -30.256 -3.706 0.098 1.00 0.00 C ATOM 4 O HIS A 7 -31.034 -2.791 0.367 1.00 0.00 O ATOM 5 CB HIS A 7 -30.333 -5.231 -1.889 1.00 0.00 C ATOM 6 CG HIS A 7 -31.053 -4.340 -2.854 1.00 0.00 C ATOM 7 ND1 HIS A 7 -31.552 -3.090 -2.704 1.00 0.00 N flip ATOM 8 CD2 HIS A 7 -31.333 -4.708 -4.153 1.00 0.00 C flip ATOM 9 CE1 HIS A 7 -32.117 -2.731 -3.903 1.00 0.00 C flip ATOM 10 NE2 HIS A 7 -31.971 -3.724 -4.760 1.00 0.00 N flip ATOM 0 HA HIS A 7 -30.352 -5.827 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -29.262 -5.044 -1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -30.497 -6.270 -2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -31.071 -5.654 -4.604 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -32.602 -1.789 -4.111 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -32.296 -3.730 -5.727 1.00 0.00 H new ATOM 21 N ALA A 8 -28.939 -3.604 0.248 1.00 0.00 N ATOM 22 CA ALA A 8 -28.321 -2.383 0.749 1.00 0.00 C ATOM 23 C ALA A 8 -27.570 -1.653 -0.360 1.00 0.00 C ATOM 24 O ALA A 8 -27.605 -2.062 -1.521 1.00 0.00 O ATOM 25 CB ALA A 8 -27.382 -2.703 1.902 1.00 0.00 C ATOM 0 H ALA A 8 -28.280 -4.352 0.030 1.00 0.00 H new ATOM 0 HA ALA A 8 -29.112 -1.726 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -26.927 -1.782 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -27.944 -3.175 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -26.602 -3.382 1.558 1.00 0.00 H new ATOM 31 N GLU A 9 -26.891 -0.570 0.005 1.00 0.00 N ATOM 32 CA GLU A 9 -26.132 0.217 -0.960 1.00 0.00 C ATOM 33 C GLU A 9 -24.898 -0.546 -1.433 1.00 0.00 C ATOM 34 O GLU A 9 -24.602 -1.634 -0.938 1.00 0.00 O ATOM 35 CB GLU A 9 -25.715 1.553 -0.342 1.00 0.00 C ATOM 36 CG GLU A 9 -26.701 2.679 -0.607 1.00 0.00 C ATOM 37 CD GLU A 9 -27.055 3.453 0.647 1.00 0.00 C ATOM 38 OE1 GLU A 9 -26.127 3.843 1.387 1.00 0.00 O ATOM 39 OE2 GLU A 9 -28.261 3.671 0.890 1.00 0.00 O ATOM 0 H GLU A 9 -26.851 -0.218 0.961 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.772 0.407 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -25.602 1.426 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.738 1.836 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.277 3.362 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.610 2.265 -1.043 1.00 0.00 H new ATOM 46 N GLY A 10 -24.183 0.031 -2.393 1.00 0.00 N ATOM 47 CA GLY A 10 -22.991 -0.610 -2.916 1.00 0.00 C ATOM 48 C GLY A 10 -21.900 0.384 -3.263 1.00 0.00 C ATOM 49 O GLY A 10 -22.006 1.112 -4.250 1.00 0.00 O ATOM 0 H GLY A 10 -24.408 0.931 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.611 -1.319 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -23.252 -1.183 -3.806 1.00 0.00 H new ATOM 53 N THR A 11 -20.850 0.414 -2.450 1.00 0.00 N ATOM 54 CA THR A 11 -19.733 1.325 -2.675 1.00 0.00 C ATOM 55 C THR A 11 -18.420 0.698 -2.219 1.00 0.00 C ATOM 56 O THR A 11 -18.017 0.847 -1.066 1.00 0.00 O ATOM 57 CB THR A 11 -19.966 2.643 -1.935 1.00 0.00 C ATOM 58 OG1 THR A 11 -18.821 3.473 -2.016 1.00 0.00 O ATOM 59 CG2 THR A 11 -20.294 2.455 -0.469 1.00 0.00 C ATOM 0 H THR A 11 -20.749 -0.182 -1.629 1.00 0.00 H new ATOM 0 HA THR A 11 -19.668 1.523 -3.745 1.00 0.00 H new ATOM 0 HB THR A 11 -20.823 3.104 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.990 4.312 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.448 3.428 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.202 1.859 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.469 1.942 0.026 1.00 0.00 H new ATOM 67 N PHE A 12 -17.759 -0.006 -3.132 1.00 0.00 N ATOM 68 CA PHE A 12 -16.491 -0.658 -2.824 1.00 0.00 C ATOM 69 C PHE A 12 -15.338 -0.006 -3.579 1.00 0.00 C ATOM 70 O PHE A 12 -14.192 -0.054 -3.135 1.00 0.00 O ATOM 71 CB PHE A 12 -16.564 -2.147 -3.164 1.00 0.00 C ATOM 72 CG PHE A 12 -16.771 -2.421 -4.627 1.00 0.00 C ATOM 73 CD1 PHE A 12 -18.029 -2.300 -5.196 1.00 0.00 C ATOM 74 CD2 PHE A 12 -15.709 -2.800 -5.431 1.00 0.00 C ATOM 75 CE1 PHE A 12 -18.223 -2.551 -6.540 1.00 0.00 C ATOM 76 CE2 PHE A 12 -15.897 -3.053 -6.777 1.00 0.00 C ATOM 77 CZ PHE A 12 -17.155 -2.928 -7.332 1.00 0.00 C ATOM 0 H PHE A 12 -18.080 -0.140 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.306 -0.544 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.643 -2.631 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.379 -2.601 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -18.867 -2.006 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.723 -2.899 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.208 -2.453 -6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.061 -3.348 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 12 -17.304 -3.125 -8.383 1.00 0.00 H new ATOM 87 N THR A 13 -15.645 0.605 -4.723 1.00 0.00 N ATOM 88 CA THR A 13 -14.630 1.267 -5.540 1.00 0.00 C ATOM 89 C THR A 13 -13.700 2.121 -4.681 1.00 0.00 C ATOM 90 O THR A 13 -12.478 2.055 -4.816 1.00 0.00 O ATOM 91 CB THR A 13 -15.295 2.136 -6.608 1.00 0.00 C ATOM 92 OG1 THR A 13 -14.323 2.843 -7.357 1.00 0.00 O ATOM 93 CG2 THR A 13 -16.262 3.152 -6.037 1.00 0.00 C ATOM 0 H THR A 13 -16.590 0.655 -5.105 1.00 0.00 H new ATOM 0 HA THR A 13 -14.034 0.494 -6.025 1.00 0.00 H new ATOM 0 HB THR A 13 -15.851 1.442 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.769 3.392 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.698 3.735 -6.848 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.054 2.636 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.731 3.818 -5.357 1.00 0.00 H new ATOM 101 N SER A 14 -14.288 2.918 -3.795 1.00 0.00 N ATOM 102 CA SER A 14 -13.515 3.779 -2.909 1.00 0.00 C ATOM 103 C SER A 14 -13.179 3.055 -1.608 1.00 0.00 C ATOM 104 O SER A 14 -12.177 3.357 -0.959 1.00 0.00 O ATOM 105 CB SER A 14 -14.289 5.064 -2.607 1.00 0.00 C ATOM 106 OG SER A 14 -13.416 6.101 -2.195 1.00 0.00 O ATOM 0 H SER A 14 -15.298 2.985 -3.672 1.00 0.00 H new ATOM 0 HA SER A 14 -12.584 4.036 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.838 5.378 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.026 4.873 -1.827 1.00 0.00 H new ATOM 0 HG SER A 14 -13.935 6.911 -2.010 1.00 0.00 H new ATOM 112 N ASP A 15 -14.024 2.099 -1.233 1.00 0.00 N ATOM 113 CA ASP A 15 -13.820 1.332 -0.010 1.00 0.00 C ATOM 114 C ASP A 15 -12.647 0.364 -0.151 1.00 0.00 C ATOM 115 O ASP A 15 -12.090 -0.096 0.845 1.00 0.00 O ATOM 116 CB ASP A 15 -15.091 0.560 0.348 1.00 0.00 C ATOM 117 CG ASP A 15 -15.212 0.304 1.837 1.00 0.00 C ATOM 118 OD1 ASP A 15 -14.550 1.019 2.618 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.970 -0.611 2.223 1.00 0.00 O ATOM 0 H ASP A 15 -14.857 1.837 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.587 2.035 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.961 1.120 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.096 -0.392 -0.183 1.00 0.00 H new ATOM 124 N VAL A 16 -12.275 0.055 -1.392 1.00 0.00 N ATOM 125 CA VAL A 16 -11.168 -0.861 -1.654 1.00 0.00 C ATOM 126 C VAL A 16 -9.932 -0.483 -0.838 1.00 0.00 C ATOM 127 O VAL A 16 -9.411 -1.292 -0.073 1.00 0.00 O ATOM 128 CB VAL A 16 -10.804 -0.882 -3.155 1.00 0.00 C ATOM 129 CG1 VAL A 16 -9.571 -1.742 -3.407 1.00 0.00 C ATOM 130 CG2 VAL A 16 -11.983 -1.374 -3.983 1.00 0.00 C ATOM 0 H VAL A 16 -12.723 0.425 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.499 -1.856 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.569 0.137 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.337 -1.739 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.726 -1.339 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.767 -2.764 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.709 -1.382 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.252 -2.383 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.834 -0.710 -3.835 1.00 0.00 H new ATOM 140 N SER A 17 -9.468 0.751 -1.006 1.00 0.00 N ATOM 141 CA SER A 17 -8.293 1.233 -0.284 1.00 0.00 C ATOM 142 C SER A 17 -8.451 1.054 1.225 1.00 0.00 C ATOM 143 O SER A 17 -7.464 1.028 1.961 1.00 0.00 O ATOM 144 CB SER A 17 -8.044 2.708 -0.607 1.00 0.00 C ATOM 145 OG SER A 17 -6.779 3.128 -0.126 1.00 0.00 O ATOM 0 H SER A 17 -9.887 1.436 -1.635 1.00 0.00 H new ATOM 0 HA SER A 17 -7.438 0.640 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.096 2.861 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.828 3.319 -0.160 1.00 0.00 H new ATOM 0 HG SER A 17 -6.643 4.073 -0.346 1.00 0.00 H new ATOM 151 N SER A 18 -9.694 0.940 1.683 1.00 0.00 N ATOM 152 CA SER A 18 -9.972 0.774 3.105 1.00 0.00 C ATOM 153 C SER A 18 -9.373 -0.522 3.649 1.00 0.00 C ATOM 154 O SER A 18 -8.810 -0.539 4.743 1.00 0.00 O ATOM 155 CB SER A 18 -11.482 0.792 3.355 1.00 0.00 C ATOM 156 OG SER A 18 -11.774 1.176 4.687 1.00 0.00 O ATOM 0 H SER A 18 -10.524 0.960 1.090 1.00 0.00 H new ATOM 0 HA SER A 18 -9.506 1.608 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.960 1.483 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.898 -0.196 3.159 1.00 0.00 H new ATOM 0 HG SER A 18 -12.745 1.181 4.821 1.00 0.00 H new ATOM 162 N TYR A 19 -9.503 -1.608 2.891 1.00 0.00 N ATOM 163 CA TYR A 19 -8.976 -2.899 3.325 1.00 0.00 C ATOM 164 C TYR A 19 -7.453 -2.862 3.441 1.00 0.00 C ATOM 165 O TYR A 19 -6.888 -3.321 4.434 1.00 0.00 O ATOM 166 CB TYR A 19 -9.433 -4.022 2.376 1.00 0.00 C ATOM 167 CG TYR A 19 -8.503 -4.299 1.209 1.00 0.00 C ATOM 168 CD1 TYR A 19 -7.276 -4.923 1.404 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.859 -3.947 -0.086 1.00 0.00 C ATOM 170 CE1 TYR A 19 -6.431 -5.184 0.342 1.00 0.00 C ATOM 171 CE2 TYR A 19 -8.020 -4.207 -1.154 1.00 0.00 C ATOM 172 CZ TYR A 19 -6.807 -4.824 -0.934 1.00 0.00 C ATOM 173 OH TYR A 19 -5.969 -5.083 -1.993 1.00 0.00 O ATOM 0 H TYR A 19 -9.964 -1.621 1.981 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.377 -3.111 4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.549 -4.939 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.417 -3.766 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.978 -5.209 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.808 -3.462 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.480 -5.668 0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.313 -3.928 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.384 -4.768 -2.823 1.00 0.00 H new ATOM 183 N LEU A 20 -6.794 -2.315 2.425 1.00 0.00 N ATOM 184 CA LEU A 20 -5.338 -2.224 2.425 1.00 0.00 C ATOM 185 C LEU A 20 -4.866 -1.073 3.307 1.00 0.00 C ATOM 186 O LEU A 20 -4.907 0.090 2.904 1.00 0.00 O ATOM 187 CB LEU A 20 -4.811 -2.040 1.000 1.00 0.00 C ATOM 188 CG LEU A 20 -5.521 -0.960 0.179 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.511 -0.022 -0.464 1.00 0.00 C ATOM 190 CD2 LEU A 20 -6.410 -1.595 -0.880 1.00 0.00 C ATOM 0 H LEU A 20 -7.243 -1.929 1.594 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.943 -3.156 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.750 -1.797 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.896 -2.990 0.472 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.149 -0.376 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.037 0.738 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.917 0.460 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.855 -0.590 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.907 -0.813 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.802 -2.205 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.159 -2.223 -0.397 1.00 0.00 H new ATOM 202 N GLU A 21 -4.416 -1.405 4.514 1.00 0.00 N ATOM 203 CA GLU A 21 -3.934 -0.400 5.455 1.00 0.00 C ATOM 204 C GLU A 21 -2.779 0.398 4.858 1.00 0.00 C ATOM 205 O GLU A 21 -2.576 1.564 5.196 1.00 0.00 O ATOM 206 CB GLU A 21 -3.489 -1.064 6.759 1.00 0.00 C ATOM 207 CG GLU A 21 -4.644 -1.505 7.643 1.00 0.00 C ATOM 208 CD GLU A 21 -5.442 -2.642 7.037 1.00 0.00 C ATOM 209 OE1 GLU A 21 -4.821 -3.623 6.575 1.00 0.00 O ATOM 210 OE2 GLU A 21 -6.688 -2.554 7.025 1.00 0.00 O ATOM 0 H GLU A 21 -4.375 -2.363 4.863 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.755 0.286 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.872 -1.931 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.862 -0.368 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.256 -1.815 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.305 -0.657 7.821 1.00 0.00 H new ATOM 217 N GLY A 22 -2.023 -0.239 3.968 1.00 0.00 N ATOM 218 CA GLY A 22 -0.897 0.426 3.339 1.00 0.00 C ATOM 219 C GLY A 22 0.409 -0.311 3.564 1.00 0.00 C ATOM 220 O GLY A 22 1.440 0.306 3.829 1.00 0.00 O ATOM 0 H GLY A 22 -2.171 -1.204 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.082 0.513 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.811 1.439 3.731 1.00 0.00 H new ATOM 224 N GLN A 23 0.363 -1.635 3.460 1.00 0.00 N ATOM 225 CA GLN A 23 1.551 -2.458 3.656 1.00 0.00 C ATOM 226 C GLN A 23 2.489 -2.354 2.457 1.00 0.00 C ATOM 227 O GLN A 23 3.650 -1.971 2.597 1.00 0.00 O ATOM 228 CB GLN A 23 1.153 -3.918 3.888 1.00 0.00 C ATOM 229 CG GLN A 23 1.692 -4.496 5.187 1.00 0.00 C ATOM 230 CD GLN A 23 2.459 -5.787 4.979 1.00 0.00 C ATOM 231 OE1 GLN A 23 2.022 -6.857 5.402 1.00 0.00 O ATOM 232 NE2 GLN A 23 3.610 -5.692 4.324 1.00 0.00 N ATOM 0 H GLN A 23 -0.483 -2.161 3.241 1.00 0.00 H new ATOM 0 HA GLN A 23 2.078 -2.090 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.066 -3.994 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.513 -4.521 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.344 -3.763 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.863 -4.677 5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.934 -4.784 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.170 -6.527 4.154 1.00 0.00 H new ATOM 241 N ALA A 24 1.978 -2.696 1.278 1.00 0.00 N ATOM 242 CA ALA A 24 2.771 -2.640 0.055 1.00 0.00 C ATOM 243 C ALA A 24 3.370 -1.252 -0.146 1.00 0.00 C ATOM 244 O ALA A 24 4.467 -1.110 -0.687 1.00 0.00 O ATOM 245 CB ALA A 24 1.921 -3.028 -1.145 1.00 0.00 C ATOM 0 H ALA A 24 1.018 -3.015 1.144 1.00 0.00 H new ATOM 0 HA ALA A 24 3.591 -3.352 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.527 -2.981 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.545 -4.042 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.081 -2.339 -1.234 1.00 0.00 H new ATOM 251 N ALA A 25 2.644 -0.231 0.297 1.00 0.00 N ATOM 252 CA ALA A 25 3.104 1.146 0.170 1.00 0.00 C ATOM 253 C ALA A 25 4.277 1.416 1.107 1.00 0.00 C ATOM 254 O ALA A 25 5.429 1.461 0.677 1.00 0.00 O ATOM 255 CB ALA A 25 1.961 2.111 0.452 1.00 0.00 C ATOM 0 H ALA A 25 1.734 -0.332 0.747 1.00 0.00 H new ATOM 0 HA ALA A 25 3.447 1.301 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.318 3.136 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.154 1.938 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.591 1.951 1.465 1.00 0.00 H new ATOM 261 N LYS A 26 3.973 1.590 2.391 1.00 0.00 N ATOM 262 CA LYS A 26 4.996 1.854 3.403 1.00 0.00 C ATOM 263 C LYS A 26 6.201 0.930 3.230 1.00 0.00 C ATOM 264 O LYS A 26 7.325 1.289 3.578 1.00 0.00 O ATOM 265 CB LYS A 26 4.402 1.681 4.805 1.00 0.00 C ATOM 266 CG LYS A 26 4.723 2.817 5.773 1.00 0.00 C ATOM 267 CD LYS A 26 4.548 4.198 5.144 1.00 0.00 C ATOM 268 CE LYS A 26 3.226 4.334 4.400 1.00 0.00 C ATOM 269 NZ LYS A 26 3.424 4.743 3.012 1.00 0.00 N ATOM 0 H LYS A 26 3.022 1.553 2.758 1.00 0.00 H new ATOM 0 HA LYS A 26 5.337 2.881 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.319 1.589 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.768 0.746 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.077 2.737 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.749 2.710 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.603 4.959 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.371 4.387 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.695 3.383 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.597 5.065 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.501 4.825 2.539 1.00 0.00 H new ATOM 281 N GLU A 27 5.958 -0.259 2.688 1.00 0.00 N ATOM 282 CA GLU A 27 7.020 -1.236 2.466 1.00 0.00 C ATOM 283 C GLU A 27 8.232 -0.599 1.786 1.00 0.00 C ATOM 284 O GLU A 27 9.360 -1.064 1.949 1.00 0.00 O ATOM 285 CB GLU A 27 6.497 -2.396 1.615 1.00 0.00 C ATOM 286 CG GLU A 27 7.531 -3.480 1.359 1.00 0.00 C ATOM 287 CD GLU A 27 7.266 -4.741 2.158 1.00 0.00 C ATOM 288 OE1 GLU A 27 6.083 -5.031 2.436 1.00 0.00 O ATOM 289 OE2 GLU A 27 8.241 -5.439 2.508 1.00 0.00 O ATOM 0 H GLU A 27 5.032 -0.571 2.393 1.00 0.00 H new ATOM 0 HA GLU A 27 7.337 -1.612 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.634 -2.839 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.149 -2.005 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.541 -3.723 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.521 -3.098 1.608 1.00 0.00 H new ATOM 296 N PHE A 28 7.994 0.464 1.022 1.00 0.00 N ATOM 297 CA PHE A 28 9.072 1.152 0.321 1.00 0.00 C ATOM 298 C PHE A 28 10.038 1.808 1.307 1.00 0.00 C ATOM 299 O PHE A 28 11.254 1.692 1.169 1.00 0.00 O ATOM 300 CB PHE A 28 8.501 2.195 -0.657 1.00 0.00 C ATOM 301 CG PHE A 28 8.283 3.565 -0.063 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.356 4.406 0.193 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.004 4.012 0.233 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.158 5.662 0.733 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.801 5.268 0.773 1.00 0.00 C ATOM 306 CZ PHE A 28 7.879 6.093 1.024 1.00 0.00 C ATOM 0 H PHE A 28 7.068 0.866 0.874 1.00 0.00 H new ATOM 0 HA PHE A 28 9.630 0.411 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.179 2.286 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.551 1.827 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.359 4.075 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.157 3.371 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.003 6.306 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.800 5.604 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.722 7.074 1.447 1.00 0.00 H new ATOM 316 N ILE A 29 9.490 2.504 2.296 1.00 0.00 N ATOM 317 CA ILE A 29 10.308 3.186 3.294 1.00 0.00 C ATOM 318 C ILE A 29 11.406 2.276 3.842 1.00 0.00 C ATOM 319 O ILE A 29 12.469 2.748 4.235 1.00 0.00 O ATOM 320 CB ILE A 29 9.448 3.718 4.462 1.00 0.00 C ATOM 321 CG1 ILE A 29 10.245 4.727 5.289 1.00 0.00 C ATOM 322 CG2 ILE A 29 8.953 2.576 5.340 1.00 0.00 C ATOM 323 CD1 ILE A 29 9.395 5.528 6.251 1.00 0.00 C ATOM 0 H ILE A 29 8.484 2.611 2.429 1.00 0.00 H new ATOM 0 HA ILE A 29 10.776 4.030 2.788 1.00 0.00 H new ATOM 0 HB ILE A 29 8.576 4.221 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.014 4.197 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.759 5.412 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.350 2.978 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.348 1.894 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.806 2.037 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.027 6.223 6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.643 6.086 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.902 4.852 6.950 1.00 0.00 H new ATOM 335 N ALA A 30 11.143 0.975 3.866 1.00 0.00 N ATOM 336 CA ALA A 30 12.114 0.009 4.370 1.00 0.00 C ATOM 337 C ALA A 30 13.269 -0.193 3.391 1.00 0.00 C ATOM 338 O ALA A 30 14.337 -0.672 3.771 1.00 0.00 O ATOM 339 CB ALA A 30 11.431 -1.319 4.660 1.00 0.00 C ATOM 0 H ALA A 30 10.267 0.564 3.543 1.00 0.00 H new ATOM 0 HA ALA A 30 12.530 0.408 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.165 -2.032 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.653 -1.172 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.985 -1.706 3.744 1.00 0.00 H new ATOM 345 N TRP A 31 13.048 0.165 2.130 1.00 0.00 N ATOM 346 CA TRP A 31 14.071 0.011 1.101 1.00 0.00 C ATOM 347 C TRP A 31 15.043 1.193 1.095 1.00 0.00 C ATOM 348 O TRP A 31 16.254 1.015 1.229 1.00 0.00 O ATOM 349 CB TRP A 31 13.414 -0.137 -0.286 1.00 0.00 C ATOM 350 CG TRP A 31 13.886 0.878 -1.290 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.110 0.923 -1.894 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.154 2.008 -1.784 1.00 0.00 C ATOM 353 NE1 TRP A 31 15.184 2.010 -2.731 1.00 0.00 N ATOM 354 CE2 TRP A 31 13.996 2.691 -2.682 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.869 2.508 -1.558 1.00 0.00 C ATOM 356 CZ2 TRP A 31 13.595 3.847 -3.347 1.00 0.00 C ATOM 357 CZ3 TRP A 31 11.472 3.654 -2.220 1.00 0.00 C ATOM 358 CH2 TRP A 31 12.333 4.312 -3.105 1.00 0.00 C ATOM 0 H TRP A 31 12.170 0.563 1.796 1.00 0.00 H new ATOM 0 HA TRP A 31 14.639 -0.891 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.618 -1.137 -0.670 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.333 -0.052 -0.177 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.904 0.208 -1.737 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.992 2.268 -3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.197 2.007 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.258 4.358 -4.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.481 4.048 -2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.993 5.206 -3.607 1.00 0.00 H new ATOM 369 N LEU A 32 14.505 2.392 0.897 1.00 0.00 N ATOM 370 CA LEU A 32 15.320 3.597 0.823 1.00 0.00 C ATOM 371 C LEU A 32 15.872 4.020 2.187 1.00 0.00 C ATOM 372 O LEU A 32 16.845 4.769 2.259 1.00 0.00 O ATOM 373 CB LEU A 32 14.517 4.733 0.173 1.00 0.00 C ATOM 374 CG LEU A 32 13.868 5.733 1.132 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.088 6.786 0.357 1.00 0.00 C ATOM 376 CD2 LEU A 32 12.965 5.016 2.127 1.00 0.00 C ATOM 0 H LEU A 32 13.504 2.554 0.785 1.00 0.00 H new ATOM 0 HA LEU A 32 16.186 3.370 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.179 5.281 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.734 4.291 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 32 14.658 6.235 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.633 7.489 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.764 7.322 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.308 6.302 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.513 5.745 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.180 4.484 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.554 4.305 2.706 1.00 0.00 H new ATOM 388 N VAL A 33 15.262 3.545 3.266 1.00 0.00 N ATOM 389 CA VAL A 33 15.732 3.901 4.601 1.00 0.00 C ATOM 390 C VAL A 33 17.013 3.148 4.950 1.00 0.00 C ATOM 391 O VAL A 33 17.844 3.638 5.715 1.00 0.00 O ATOM 392 CB VAL A 33 14.669 3.625 5.684 1.00 0.00 C ATOM 393 CG1 VAL A 33 14.470 2.128 5.884 1.00 0.00 C ATOM 394 CG2 VAL A 33 15.058 4.296 6.992 1.00 0.00 C ATOM 0 H VAL A 33 14.454 2.923 3.246 1.00 0.00 H new ATOM 0 HA VAL A 33 15.933 4.972 4.582 1.00 0.00 H new ATOM 0 HB VAL A 33 13.722 4.047 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.716 1.961 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.141 1.676 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.411 1.674 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.298 4.092 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.018 3.906 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.137 5.372 6.839 1.00 0.00 H new ATOM 404 N ARG A 34 17.166 1.955 4.383 1.00 0.00 N ATOM 405 CA ARG A 34 18.345 1.135 4.634 1.00 0.00 C ATOM 406 C ARG A 34 19.475 1.499 3.675 1.00 0.00 C ATOM 407 O ARG A 34 20.002 0.642 2.964 1.00 0.00 O ATOM 408 CB ARG A 34 17.996 -0.349 4.497 1.00 0.00 C ATOM 409 CG ARG A 34 17.426 -0.718 3.136 1.00 0.00 C ATOM 410 CD ARG A 34 17.333 -2.225 2.962 1.00 0.00 C ATOM 411 NE ARG A 34 17.029 -2.600 1.583 1.00 0.00 N ATOM 412 CZ ARG A 34 16.997 -3.857 1.147 1.00 0.00 C ATOM 413 NH1 ARG A 34 17.249 -4.861 1.977 1.00 0.00 N ATOM 414 NH2 ARG A 34 16.711 -4.111 -0.123 1.00 0.00 N ATOM 0 H ARG A 34 16.488 1.535 3.747 1.00 0.00 H new ATOM 0 HA ARG A 34 18.684 1.328 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.892 -0.943 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.274 -0.616 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.436 -0.276 3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.055 -0.298 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 34 18.275 -2.683 3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.561 -2.619 3.623 1.00 0.00 H new ATOM 0 HE ARG A 34 16.830 -1.855 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.469 -4.671 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.223 -5.822 1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.516 -3.343 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.686 -5.074 -0.457 1.00 0.00 H new ATOM 428 N GLY A 35 19.843 2.776 3.661 1.00 0.00 N ATOM 429 CA GLY A 35 20.908 3.231 2.786 1.00 0.00 C ATOM 430 C GLY A 35 20.484 3.275 1.332 1.00 0.00 C ATOM 431 O GLY A 35 20.770 2.354 0.567 1.00 0.00 O ATOM 0 H GLY A 35 19.423 3.504 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.231 4.225 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.768 2.569 2.891 1.00 0.00 H new ATOM 435 N ARG A 36 19.800 4.348 0.949 1.00 0.00 N ATOM 436 CA ARG A 36 19.335 4.509 -0.424 1.00 0.00 C ATOM 437 C ARG A 36 20.421 5.130 -1.297 1.00 0.00 C ATOM 438 O ARG A 36 20.890 6.236 -1.029 1.00 0.00 O ATOM 439 CB ARG A 36 18.073 5.374 -0.460 1.00 0.00 C ATOM 440 CG ARG A 36 18.311 6.819 -0.050 1.00 0.00 C ATOM 441 CD ARG A 36 17.003 7.582 0.078 1.00 0.00 C ATOM 442 NE ARG A 36 17.122 8.957 -0.400 1.00 0.00 N ATOM 443 CZ ARG A 36 17.095 9.301 -1.685 1.00 0.00 C ATOM 444 NH1 ARG A 36 16.952 8.374 -2.625 1.00 0.00 N ATOM 445 NH2 ARG A 36 17.212 10.575 -2.033 1.00 0.00 N ATOM 0 H ARG A 36 19.555 5.119 1.570 1.00 0.00 H new ATOM 0 HA ARG A 36 19.099 3.521 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.659 5.355 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.324 4.937 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.844 6.846 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 36 18.948 7.308 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.226 7.067 -0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.687 7.587 1.121 1.00 0.00 H new ATOM 0 HE ARG A 36 17.232 9.698 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.862 7.392 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.932 8.644 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.323 11.292 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.191 10.839 -3.018 1.00 0.00 H new ATOM 459 N GLY A 37 20.815 4.412 -2.343 1.00 0.00 N ATOM 460 CA GLY A 37 21.843 4.909 -3.239 1.00 0.00 C ATOM 461 C GLY A 37 23.236 4.491 -2.814 1.00 0.00 C ATOM 462 O GLY A 37 23.352 3.536 -2.017 1.00 0.00 O ATOM 463 OXT GLY A 37 24.212 5.117 -3.278 1.00 0.00 O ATOM 0 H GLY A 37 20.441 3.495 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 37 21.649 4.543 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 37 21.790 5.997 -3.279 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 5.688 4.840 -3.054 1.00 0.00 O HETATM 469 C02 D6M A1038 5.912 5.774 -2.284 1.00 0.00 C HETATM 470 N03 D6M A1038 4.999 6.143 -1.390 1.00 0.00 N HETATM 471 C04 D6M A1038 3.711 5.466 -1.287 1.00 0.00 C HETATM 472 C05 D6M A1038 3.420 5.102 0.170 1.00 0.00 C HETATM 473 C06 D6M A1038 3.288 6.310 1.084 1.00 0.00 C HETATM 474 C07 D6M A1038 3.058 5.930 2.535 1.00 0.00 C HETATM 475 O08 D6M A1038 2.520 6.755 3.273 1.00 0.00 O HETATM 476 C09 D6M A1038 2.590 6.342 -1.838 1.00 0.00 C HETATM 477 O10 D6M A1038 2.774 7.577 -1.885 1.00 0.00 O HETATM 478 O11 D6M A1038 1.538 5.787 -2.217 1.00 0.00 O HETATM 479 C12 D6M A1038 7.251 6.478 -2.380 1.00 0.00 C HETATM 480 C13 D6M A1038 8.316 5.623 -3.048 1.00 0.00 C HETATM 481 C14 D6M A1038 9.539 6.447 -3.417 1.00 0.00 C HETATM 482 C15 D6M A1038 10.324 6.861 -2.182 1.00 0.00 C HETATM 483 C16 D6M A1038 11.043 8.186 -2.395 1.00 0.00 C HETATM 484 C17 D6M A1038 10.531 9.264 -1.448 1.00 0.00 C HETATM 485 C18 D6M A1038 11.653 9.840 -0.598 1.00 0.00 C HETATM 486 C19 D6M A1038 11.137 10.335 0.744 1.00 0.00 C HETATM 487 C20 D6M A1038 10.990 9.197 1.741 1.00 0.00 C HETATM 488 C21 D6M A1038 12.199 9.098 2.659 1.00 0.00 C HETATM 489 C22 D6M A1038 11.788 8.878 4.107 1.00 0.00 C HETATM 490 C23 D6M A1038 12.123 7.471 4.578 1.00 0.00 C HETATM 491 C24 D6M A1038 13.508 7.406 5.202 1.00 0.00 C HETATM 492 C25 D6M A1038 13.584 8.227 6.480 1.00 0.00 C HETATM 493 C26 D6M A1038 13.614 7.347 7.711 1.00 0.00 C HETATM 0 H263 D6M A1038 12.709 6.741 7.747 1.00 0.00 H new HETATM 0 H262 D6M A1038 14.486 6.695 7.671 1.00 0.00 H new HETATM 0 H261 D6M A1038 13.668 7.971 8.603 1.00 0.00 H new HETATM 0 H252 D6M A1038 14.477 8.852 6.458 1.00 0.00 H new HETATM 0 H251 D6M A1038 12.726 8.898 6.533 1.00 0.00 H new HETATM 0 H242 D6M A1038 13.762 6.368 5.420 1.00 0.00 H new HETATM 0 H241 D6M A1038 14.247 7.772 4.489 1.00 0.00 H new HETATM 0 H232 D6M A1038 11.380 7.143 5.305 1.00 0.00 H new HETATM 0 H231 D6M A1038 12.070 6.782 3.735 1.00 0.00 H new HETATM 0 H222 D6M A1038 12.293 9.605 4.743 1.00 0.00 H new HETATM 0 H221 D6M A1038 10.717 9.052 4.212 1.00 0.00 H new HETATM 0 H212 D6M A1038 12.837 8.277 2.333 1.00 0.00 H new HETATM 0 H211 D6M A1038 12.790 10.011 2.583 1.00 0.00 H new HETATM 0 H202 D6M A1038 10.091 9.349 2.338 1.00 0.00 H new HETATM 0 H201 D6M A1038 10.862 8.257 1.205 1.00 0.00 H new HETATM 0 H192 D6M A1038 11.821 11.084 1.144 1.00 0.00 H new HETATM 0 H191 D6M A1038 10.173 10.825 0.606 1.00 0.00 H new HETATM 0 H182 D6M A1038 12.417 9.079 -0.437 1.00 0.00 H new HETATM 0 H181 D6M A1038 12.130 10.662 -1.132 1.00 0.00 H new HETATM 0 H172 D6M A1038 10.063 10.063 -2.024 1.00 0.00 H new HETATM 0 H171 D6M A1038 9.761 8.845 -0.800 1.00 0.00 H new HETATM 0 H162 D6M A1038 12.114 8.047 -2.244 1.00 0.00 H new HETATM 0 H161 D6M A1038 10.906 8.513 -3.426 1.00 0.00 H new HETATM 0 H152 D6M A1038 9.648 6.946 -1.331 1.00 0.00 H new HETATM 0 H151 D6M A1038 11.051 6.087 -1.935 1.00 0.00 H new HETATM 0 H142 D6M A1038 10.182 5.869 -4.081 1.00 0.00 H new HETATM 0 H141 D6M A1038 9.228 7.335 -3.967 1.00 0.00 H new HETATM 0 H132 D6M A1038 8.609 4.815 -2.378 1.00 0.00 H new HETATM 0 H131 D6M A1038 7.903 5.160 -3.944 1.00 0.00 H new HETATM 0 H122 D6M A1038 7.130 7.405 -2.941 1.00 0.00 H new HETATM 0 H121 D6M A1038 7.586 6.752 -1.379 1.00 0.00 H new HETATM 0 H062 D6M A1038 4.192 6.915 1.011 1.00 0.00 H new HETATM 0 H061 D6M A1038 2.460 6.931 0.741 1.00 0.00 H new HETATM 0 H052 D6M A1038 2.499 4.521 0.214 1.00 0.00 H new HETATM 0 H051 D6M A1038 4.219 4.461 0.542 1.00 0.00 H new HETATM 0 H11 D6M A1038 0.909 6.465 -2.542 1.00 0.00 H new HETATM 0 H04 D6M A1038 3.759 4.553 -1.881 1.00 0.00 H new HETATM 0 H03 D6M A1038 5.205 6.919 -0.761 1.00 0.00 H new