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 HZ3 : A 26 LYS NZ : A1038 D6M C07 :(NH2R) USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= -0.169 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0.057 USER MOD Single : A 7 HIS : no HE2:sc= -0.595 K(o=-0.59,f=-3.2!) USER MOD Single : A 11 THR OG1 : rot 59:sc= 0.929 USER MOD Single : A 17 SER OG : rot 33:sc= 1.3 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= -0.214 X(o=-0.21,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.417 (180deg=-0.417) USER MOD Single : A1038 D6M O11 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -29.336 -4.454 4.019 1.00 0.00 N ATOM 2 CA HIS A 7 -28.036 -5.178 4.081 1.00 0.00 C ATOM 3 C HIS A 7 -26.867 -4.248 3.768 1.00 0.00 C ATOM 4 O HIS A 7 -27.061 -3.125 3.304 1.00 0.00 O ATOM 5 CB HIS A 7 -28.072 -6.343 3.087 1.00 0.00 C ATOM 6 CG HIS A 7 -28.098 -5.916 1.650 1.00 0.00 C ATOM 7 ND1 HIS A 7 -28.246 -4.603 1.253 1.00 0.00 N ATOM 8 CD2 HIS A 7 -27.991 -6.640 0.510 1.00 0.00 C ATOM 9 CE1 HIS A 7 -28.231 -4.539 -0.066 1.00 0.00 C ATOM 10 NE2 HIS A 7 -28.077 -5.761 -0.540 1.00 0.00 N ATOM 0 HA HIS A 7 -27.889 -5.556 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.200 -6.975 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -28.952 -6.954 3.290 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -28.351 -3.806 1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -27.862 -7.710 0.441 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -28.328 -3.640 -0.656 1.00 0.00 H new ATOM 21 N ALA A 8 -25.653 -4.725 4.025 1.00 0.00 N ATOM 22 CA ALA A 8 -24.453 -3.936 3.770 1.00 0.00 C ATOM 23 C ALA A 8 -24.132 -3.890 2.281 1.00 0.00 C ATOM 24 O ALA A 8 -23.554 -4.828 1.731 1.00 0.00 O ATOM 25 CB ALA A 8 -23.275 -4.500 4.549 1.00 0.00 C ATOM 0 H ALA A 8 -25.474 -5.653 4.409 1.00 0.00 H new ATOM 0 HA ALA A 8 -24.641 -2.916 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -22.386 -3.901 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -23.498 -4.473 5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -23.095 -5.530 4.241 1.00 0.00 H new ATOM 31 N GLU A 9 -24.509 -2.793 1.632 1.00 0.00 N ATOM 32 CA GLU A 9 -24.260 -2.625 0.206 1.00 0.00 C ATOM 33 C GLU A 9 -22.802 -2.259 -0.052 1.00 0.00 C ATOM 34 O GLU A 9 -22.003 -2.161 0.880 1.00 0.00 O ATOM 35 CB GLU A 9 -25.180 -1.548 -0.372 1.00 0.00 C ATOM 36 CG GLU A 9 -25.091 -0.216 0.356 1.00 0.00 C ATOM 37 CD GLU A 9 -25.769 0.908 -0.403 1.00 0.00 C ATOM 38 OE1 GLU A 9 -26.615 0.612 -1.272 1.00 0.00 O ATOM 39 OE2 GLU A 9 -25.455 2.085 -0.126 1.00 0.00 O ATOM 0 H GLU A 9 -24.988 -2.007 2.072 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.470 -3.574 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.932 -1.396 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.210 -1.904 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -25.549 -0.313 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -24.043 0.038 0.515 1.00 0.00 H new ATOM 46 N GLY A 10 -22.461 -2.061 -1.321 1.00 0.00 N ATOM 47 CA GLY A 10 -21.098 -1.710 -1.676 1.00 0.00 C ATOM 48 C GLY A 10 -20.777 -0.257 -1.388 1.00 0.00 C ATOM 49 O GLY A 10 -21.230 0.639 -2.100 1.00 0.00 O ATOM 0 H GLY A 10 -23.103 -2.137 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.407 -2.347 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.939 -1.910 -2.736 1.00 0.00 H new ATOM 53 N THR A 11 -19.990 -0.023 -0.343 1.00 0.00 N ATOM 54 CA THR A 11 -19.606 1.332 0.036 1.00 0.00 C ATOM 55 C THR A 11 -18.438 1.820 -0.814 1.00 0.00 C ATOM 56 O THR A 11 -17.764 1.028 -1.474 1.00 0.00 O ATOM 57 CB THR A 11 -19.236 1.386 1.521 1.00 0.00 C ATOM 58 OG1 THR A 11 -19.021 0.083 2.035 1.00 0.00 O ATOM 59 CG2 THR A 11 -20.294 2.049 2.377 1.00 0.00 C ATOM 0 H THR A 11 -19.606 -0.754 0.256 1.00 0.00 H new ATOM 0 HA THR A 11 -20.458 1.989 -0.138 1.00 0.00 H new ATOM 0 HB THR A 11 -18.325 1.983 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.301 -0.352 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.969 2.054 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.446 3.074 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.230 1.497 2.292 1.00 0.00 H new ATOM 67 N PHE A 12 -18.206 3.128 -0.799 1.00 0.00 N ATOM 68 CA PHE A 12 -17.121 3.720 -1.575 1.00 0.00 C ATOM 69 C PHE A 12 -16.065 4.346 -0.666 1.00 0.00 C ATOM 70 O PHE A 12 -14.907 4.490 -1.057 1.00 0.00 O ATOM 71 CB PHE A 12 -17.674 4.777 -2.533 1.00 0.00 C ATOM 72 CG PHE A 12 -16.766 5.066 -3.694 1.00 0.00 C ATOM 73 CD1 PHE A 12 -15.678 5.911 -3.545 1.00 0.00 C ATOM 74 CD2 PHE A 12 -17.001 4.493 -4.933 1.00 0.00 C ATOM 75 CE1 PHE A 12 -14.841 6.179 -4.612 1.00 0.00 C ATOM 76 CE2 PHE A 12 -16.168 4.757 -6.003 1.00 0.00 C ATOM 77 CZ PHE A 12 -15.086 5.601 -5.842 1.00 0.00 C ATOM 0 H PHE A 12 -18.753 3.798 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.647 2.924 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.640 4.443 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.850 5.700 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.482 6.365 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.845 3.832 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.996 6.840 -4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.362 4.304 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.433 5.808 -6.677 1.00 0.00 H new ATOM 87 N THR A 13 -16.471 4.724 0.543 1.00 0.00 N ATOM 88 CA THR A 13 -15.553 5.343 1.499 1.00 0.00 C ATOM 89 C THR A 13 -14.303 4.487 1.707 1.00 0.00 C ATOM 90 O THR A 13 -13.252 4.764 1.132 1.00 0.00 O ATOM 91 CB THR A 13 -16.255 5.599 2.843 1.00 0.00 C ATOM 92 OG1 THR A 13 -15.320 5.604 3.908 1.00 0.00 O ATOM 93 CG2 THR A 13 -17.325 4.579 3.182 1.00 0.00 C ATOM 0 H THR A 13 -17.426 4.614 0.885 1.00 0.00 H new ATOM 0 HA THR A 13 -15.240 6.300 1.081 1.00 0.00 H new ATOM 0 HB THR A 13 -16.733 6.571 2.725 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.788 5.770 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.773 4.828 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.094 4.588 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.877 3.587 3.236 1.00 0.00 H new ATOM 101 N SER A 14 -14.420 3.452 2.534 1.00 0.00 N ATOM 102 CA SER A 14 -13.293 2.568 2.813 1.00 0.00 C ATOM 103 C SER A 14 -13.252 1.400 1.832 1.00 0.00 C ATOM 104 O SER A 14 -12.180 0.904 1.486 1.00 0.00 O ATOM 105 CB SER A 14 -13.373 2.040 4.246 1.00 0.00 C ATOM 106 OG SER A 14 -14.720 1.896 4.663 1.00 0.00 O ATOM 0 H SER A 14 -15.281 3.205 3.021 1.00 0.00 H new ATOM 0 HA SER A 14 -12.377 3.148 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.864 1.078 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.852 2.722 4.918 1.00 0.00 H new ATOM 0 HG SER A 14 -14.743 1.555 5.582 1.00 0.00 H new ATOM 112 N ASP A 15 -14.427 0.961 1.394 1.00 0.00 N ATOM 113 CA ASP A 15 -14.530 -0.155 0.460 1.00 0.00 C ATOM 114 C ASP A 15 -13.685 0.081 -0.791 1.00 0.00 C ATOM 115 O ASP A 15 -13.247 -0.868 -1.440 1.00 0.00 O ATOM 116 CB ASP A 15 -15.992 -0.382 0.066 1.00 0.00 C ATOM 117 CG ASP A 15 -16.555 -1.665 0.646 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.766 -2.602 0.890 1.00 0.00 O ATOM 119 OD2 ASP A 15 -17.784 -1.733 0.855 1.00 0.00 O ATOM 0 H ASP A 15 -15.323 1.362 1.671 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.148 -1.044 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.592 0.462 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.072 -0.412 -1.021 1.00 0.00 H new ATOM 124 N VAL A 16 -13.465 1.348 -1.129 1.00 0.00 N ATOM 125 CA VAL A 16 -12.678 1.693 -2.307 1.00 0.00 C ATOM 126 C VAL A 16 -11.188 1.456 -2.073 1.00 0.00 C ATOM 127 O VAL A 16 -10.507 0.867 -2.908 1.00 0.00 O ATOM 128 CB VAL A 16 -12.905 3.160 -2.731 1.00 0.00 C ATOM 129 CG1 VAL A 16 -12.290 4.123 -1.725 1.00 0.00 C ATOM 130 CG2 VAL A 16 -12.345 3.404 -4.124 1.00 0.00 C ATOM 0 H VAL A 16 -13.819 2.149 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.017 1.039 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.979 3.344 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.465 5.149 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.747 3.968 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.217 3.942 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.514 4.443 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.275 3.196 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.845 2.748 -4.837 1.00 0.00 H new ATOM 140 N SER A 17 -10.686 1.919 -0.933 1.00 0.00 N ATOM 141 CA SER A 17 -9.276 1.756 -0.597 1.00 0.00 C ATOM 142 C SER A 17 -8.886 0.280 -0.532 1.00 0.00 C ATOM 143 O SER A 17 -7.707 -0.063 -0.619 1.00 0.00 O ATOM 144 CB SER A 17 -8.970 2.434 0.740 1.00 0.00 C ATOM 145 OG SER A 17 -10.079 2.354 1.619 1.00 0.00 O ATOM 0 H SER A 17 -11.234 2.410 -0.227 1.00 0.00 H new ATOM 0 HA SER A 17 -8.689 2.228 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.102 1.962 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.711 3.479 0.570 1.00 0.00 H new ATOM 0 HG SER A 17 -10.560 1.515 1.463 1.00 0.00 H new ATOM 151 N SER A 18 -9.881 -0.588 -0.370 1.00 0.00 N ATOM 152 CA SER A 18 -9.637 -2.023 -0.282 1.00 0.00 C ATOM 153 C SER A 18 -9.080 -2.584 -1.590 1.00 0.00 C ATOM 154 O SER A 18 -8.084 -3.307 -1.587 1.00 0.00 O ATOM 155 CB SER A 18 -10.927 -2.757 0.087 1.00 0.00 C ATOM 156 OG SER A 18 -11.052 -2.894 1.492 1.00 0.00 O ATOM 0 H SER A 18 -10.863 -0.322 -0.297 1.00 0.00 H new ATOM 0 HA SER A 18 -8.891 -2.181 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.785 -2.211 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.935 -3.742 -0.380 1.00 0.00 H new ATOM 0 HG SER A 18 -11.885 -3.365 1.702 1.00 0.00 H new ATOM 162 N TYR A 19 -9.734 -2.265 -2.703 1.00 0.00 N ATOM 163 CA TYR A 19 -9.301 -2.762 -4.006 1.00 0.00 C ATOM 164 C TYR A 19 -7.868 -2.331 -4.324 1.00 0.00 C ATOM 165 O TYR A 19 -7.194 -2.956 -5.142 1.00 0.00 O ATOM 166 CB TYR A 19 -10.270 -2.304 -5.110 1.00 0.00 C ATOM 167 CG TYR A 19 -9.925 -0.976 -5.757 1.00 0.00 C ATOM 168 CD1 TYR A 19 -8.864 -0.868 -6.649 1.00 0.00 C ATOM 169 CD2 TYR A 19 -10.667 0.165 -5.481 1.00 0.00 C ATOM 170 CE1 TYR A 19 -8.553 0.339 -7.245 1.00 0.00 C ATOM 171 CE2 TYR A 19 -10.361 1.376 -6.072 1.00 0.00 C ATOM 172 CZ TYR A 19 -9.303 1.458 -6.953 1.00 0.00 C ATOM 173 OH TYR A 19 -8.997 2.662 -7.545 1.00 0.00 O ATOM 0 H TYR A 19 -10.561 -1.668 -2.730 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.313 -3.851 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.303 -3.070 -5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.272 -2.235 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.273 -1.742 -6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.497 0.105 -4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.726 0.405 -7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.947 2.254 -5.845 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.623 3.349 -7.233 1.00 0.00 H new ATOM 183 N LEU A 20 -7.407 -1.266 -3.677 1.00 0.00 N ATOM 184 CA LEU A 20 -6.055 -0.768 -3.903 1.00 0.00 C ATOM 185 C LEU A 20 -5.033 -1.593 -3.128 1.00 0.00 C ATOM 186 O LEU A 20 -5.155 -1.773 -1.917 1.00 0.00 O ATOM 187 CB LEU A 20 -5.952 0.703 -3.496 1.00 0.00 C ATOM 188 CG LEU A 20 -6.694 1.681 -4.411 1.00 0.00 C ATOM 189 CD1 LEU A 20 -7.989 2.140 -3.760 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.812 2.875 -4.747 1.00 0.00 C ATOM 0 H LEU A 20 -7.947 -0.733 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.838 -0.859 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.339 0.812 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.899 0.984 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.939 1.165 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.504 2.835 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.628 1.277 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.765 2.638 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.357 3.558 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.535 3.392 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.911 2.531 -5.255 1.00 0.00 H new ATOM 202 N GLU A 21 -4.024 -2.090 -3.836 1.00 0.00 N ATOM 203 CA GLU A 21 -2.979 -2.896 -3.217 1.00 0.00 C ATOM 204 C GLU A 21 -1.747 -2.970 -4.115 1.00 0.00 C ATOM 205 O GLU A 21 -1.280 -4.056 -4.459 1.00 0.00 O ATOM 206 CB GLU A 21 -3.499 -4.304 -2.921 1.00 0.00 C ATOM 207 CG GLU A 21 -4.073 -5.008 -4.140 1.00 0.00 C ATOM 208 CD GLU A 21 -3.619 -6.450 -4.249 1.00 0.00 C ATOM 209 OE1 GLU A 21 -3.719 -7.182 -3.242 1.00 0.00 O ATOM 210 OE2 GLU A 21 -3.163 -6.848 -5.342 1.00 0.00 O ATOM 0 H GLU A 21 -3.908 -1.948 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.693 -2.420 -2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.686 -4.905 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.268 -4.244 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.162 -4.976 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.776 -4.469 -5.040 1.00 0.00 H new ATOM 217 N GLY A 22 -1.226 -1.807 -4.491 1.00 0.00 N ATOM 218 CA GLY A 22 -0.054 -1.761 -5.346 1.00 0.00 C ATOM 219 C GLY A 22 1.003 -0.806 -4.827 1.00 0.00 C ATOM 220 O GLY A 22 2.170 -1.174 -4.693 1.00 0.00 O ATOM 0 H GLY A 22 -1.594 -0.895 -4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.372 -2.761 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.352 -1.458 -6.350 1.00 0.00 H new ATOM 224 N GLN A 23 0.593 0.424 -4.534 1.00 0.00 N ATOM 225 CA GLN A 23 1.513 1.436 -4.026 1.00 0.00 C ATOM 226 C GLN A 23 1.810 1.209 -2.546 1.00 0.00 C ATOM 227 O GLN A 23 2.871 1.591 -2.052 1.00 0.00 O ATOM 228 CB GLN A 23 0.930 2.835 -4.234 1.00 0.00 C ATOM 229 CG GLN A 23 1.969 3.872 -4.629 1.00 0.00 C ATOM 230 CD GLN A 23 2.498 4.650 -3.440 1.00 0.00 C ATOM 231 OE1 GLN A 23 1.789 5.468 -2.853 1.00 0.00 O ATOM 232 NE2 GLN A 23 3.750 4.398 -3.078 1.00 0.00 N ATOM 0 H GLN A 23 -0.370 0.744 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 23 2.447 1.354 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.162 2.789 -5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.439 3.156 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.799 3.376 -5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.530 4.566 -5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.302 3.712 -3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.160 4.891 -2.285 1.00 0.00 H new ATOM 241 N ALA A 24 0.868 0.586 -1.844 1.00 0.00 N ATOM 242 CA ALA A 24 1.031 0.308 -0.422 1.00 0.00 C ATOM 243 C ALA A 24 2.299 -0.498 -0.158 1.00 0.00 C ATOM 244 O ALA A 24 2.881 -0.422 0.924 1.00 0.00 O ATOM 245 CB ALA A 24 -0.186 -0.431 0.113 1.00 0.00 C ATOM 0 H ALA A 24 -0.016 0.264 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 24 1.124 1.261 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.051 -0.632 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.076 0.182 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.304 -1.373 -0.423 1.00 0.00 H new ATOM 251 N ALA A 25 2.723 -1.270 -1.154 1.00 0.00 N ATOM 252 CA ALA A 25 3.922 -2.089 -1.028 1.00 0.00 C ATOM 253 C ALA A 25 5.172 -1.222 -0.928 1.00 0.00 C ATOM 254 O ALA A 25 5.991 -1.398 -0.028 1.00 0.00 O ATOM 255 CB ALA A 25 4.034 -3.045 -2.206 1.00 0.00 C ATOM 0 H ALA A 25 2.254 -1.345 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 25 3.840 -2.669 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.934 -3.650 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.160 -3.696 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.089 -2.475 -3.133 1.00 0.00 H new ATOM 261 N LYS A 26 5.312 -0.282 -1.861 1.00 0.00 N ATOM 262 CA LYS A 26 6.464 0.619 -1.888 1.00 0.00 C ATOM 263 C LYS A 26 6.787 1.164 -0.498 1.00 0.00 C ATOM 264 O LYS A 26 7.934 1.498 -0.207 1.00 0.00 O ATOM 265 CB LYS A 26 6.203 1.780 -2.849 1.00 0.00 C ATOM 266 CG LYS A 26 6.140 1.359 -4.308 1.00 0.00 C ATOM 267 CD LYS A 26 7.512 1.409 -4.963 1.00 0.00 C ATOM 268 CE LYS A 26 7.803 0.139 -5.746 1.00 0.00 C ATOM 269 NZ LYS A 26 7.553 -1.060 -4.951 1.00 0.00 N ATOM 0 H LYS A 26 4.639 -0.124 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 26 7.323 0.044 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.264 2.261 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.990 2.525 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.739 0.348 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.454 2.013 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.567 2.269 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.276 1.549 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.184 0.116 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.842 0.146 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.763 -1.904 -5.521 1.00 0.00 H new ATOM 281 N GLU A 27 5.770 1.253 0.356 1.00 0.00 N ATOM 282 CA GLU A 27 5.946 1.763 1.715 1.00 0.00 C ATOM 283 C GLU A 27 7.193 1.180 2.382 1.00 0.00 C ATOM 284 O GLU A 27 7.801 1.820 3.241 1.00 0.00 O ATOM 285 CB GLU A 27 4.712 1.445 2.561 1.00 0.00 C ATOM 286 CG GLU A 27 3.547 2.392 2.319 1.00 0.00 C ATOM 287 CD GLU A 27 2.835 2.780 3.600 1.00 0.00 C ATOM 288 OE1 GLU A 27 3.460 3.455 4.445 1.00 0.00 O ATOM 289 OE2 GLU A 27 1.653 2.409 3.758 1.00 0.00 O ATOM 0 H GLU A 27 4.814 0.978 0.131 1.00 0.00 H new ATOM 0 HA GLU A 27 6.075 2.843 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.390 0.425 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.986 1.481 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.912 3.292 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.836 1.921 1.641 1.00 0.00 H new ATOM 296 N PHE A 28 7.569 -0.035 1.989 1.00 0.00 N ATOM 297 CA PHE A 28 8.741 -0.689 2.562 1.00 0.00 C ATOM 298 C PHE A 28 10.018 0.080 2.228 1.00 0.00 C ATOM 299 O PHE A 28 10.894 0.244 3.076 1.00 0.00 O ATOM 300 CB PHE A 28 8.841 -2.144 2.075 1.00 0.00 C ATOM 301 CG PHE A 28 9.479 -2.310 0.720 1.00 0.00 C ATOM 302 CD1 PHE A 28 10.850 -2.169 0.560 1.00 0.00 C ATOM 303 CD2 PHE A 28 8.708 -2.612 -0.391 1.00 0.00 C ATOM 304 CE1 PHE A 28 11.437 -2.325 -0.682 1.00 0.00 C ATOM 305 CE2 PHE A 28 9.290 -2.769 -1.635 1.00 0.00 C ATOM 306 CZ PHE A 28 10.656 -2.624 -1.781 1.00 0.00 C ATOM 0 H PHE A 28 7.082 -0.583 1.280 1.00 0.00 H new ATOM 0 HA PHE A 28 8.627 -0.695 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.412 -2.719 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.839 -2.573 2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.466 -1.935 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.639 -2.726 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.505 -2.213 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.677 -3.005 -2.492 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.112 -2.744 -2.753 1.00 0.00 H new ATOM 316 N ILE A 29 10.120 0.546 0.986 1.00 0.00 N ATOM 317 CA ILE A 29 11.293 1.292 0.542 1.00 0.00 C ATOM 318 C ILE A 29 11.660 2.396 1.532 1.00 0.00 C ATOM 319 O ILE A 29 12.828 2.757 1.669 1.00 0.00 O ATOM 320 CB ILE A 29 11.072 1.911 -0.856 1.00 0.00 C ATOM 321 CG1 ILE A 29 12.399 2.405 -1.435 1.00 0.00 C ATOM 322 CG2 ILE A 29 10.059 3.048 -0.792 1.00 0.00 C ATOM 323 CD1 ILE A 29 12.281 2.934 -2.848 1.00 0.00 C ATOM 0 H ILE A 29 9.405 0.420 0.270 1.00 0.00 H new ATOM 0 HA ILE A 29 12.116 0.579 0.487 1.00 0.00 H new ATOM 0 HB ILE A 29 10.672 1.139 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 29 12.796 3.191 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 29 13.120 1.587 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.920 3.468 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.107 2.667 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.425 3.824 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.259 3.267 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.913 2.144 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.585 3.773 -2.866 1.00 0.00 H new ATOM 335 N ALA A 30 10.655 2.923 2.222 1.00 0.00 N ATOM 336 CA ALA A 30 10.870 3.983 3.199 1.00 0.00 C ATOM 337 C ALA A 30 11.626 3.467 4.420 1.00 0.00 C ATOM 338 O ALA A 30 12.312 4.227 5.103 1.00 0.00 O ATOM 339 CB ALA A 30 9.540 4.590 3.619 1.00 0.00 C ATOM 0 H ALA A 30 9.682 2.633 2.122 1.00 0.00 H new ATOM 0 HA ALA A 30 11.480 4.755 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.715 5.380 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.038 5.007 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.912 3.818 4.064 1.00 0.00 H new ATOM 345 N TRP A 31 11.495 2.172 4.692 1.00 0.00 N ATOM 346 CA TRP A 31 12.166 1.562 5.834 1.00 0.00 C ATOM 347 C TRP A 31 13.675 1.472 5.596 1.00 0.00 C ATOM 348 O TRP A 31 14.466 2.029 6.357 1.00 0.00 O ATOM 349 CB TRP A 31 11.563 0.174 6.125 1.00 0.00 C ATOM 350 CG TRP A 31 12.550 -0.959 6.088 1.00 0.00 C ATOM 351 CD1 TRP A 31 13.611 -1.151 6.927 1.00 0.00 C ATOM 352 CD2 TRP A 31 12.568 -2.051 5.162 1.00 0.00 C ATOM 353 NE1 TRP A 31 14.290 -2.291 6.575 1.00 0.00 N ATOM 354 CE2 TRP A 31 13.668 -2.862 5.496 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.761 -2.423 4.082 1.00 0.00 C ATOM 356 CZ2 TRP A 31 13.982 -4.019 4.789 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.073 -3.573 3.382 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.176 -4.359 3.738 1.00 0.00 C ATOM 0 H TRP A 31 10.932 1.527 4.138 1.00 0.00 H new ATOM 0 HA TRP A 31 12.009 2.193 6.709 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.092 0.196 7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.775 -0.024 5.399 1.00 0.00 H new ATOM 0 HD1 TRP A 31 13.877 -0.501 7.747 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.122 -2.654 7.041 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.909 -1.822 3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.832 -4.627 5.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.456 -3.870 2.547 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.394 -5.252 3.171 1.00 0.00 H new ATOM 369 N LEU A 32 14.066 0.763 4.542 1.00 0.00 N ATOM 370 CA LEU A 32 15.479 0.597 4.217 1.00 0.00 C ATOM 371 C LEU A 32 16.154 1.946 3.981 1.00 0.00 C ATOM 372 O LEU A 32 17.282 2.168 4.420 1.00 0.00 O ATOM 373 CB LEU A 32 15.648 -0.304 2.989 1.00 0.00 C ATOM 374 CG LEU A 32 14.720 0.007 1.813 1.00 0.00 C ATOM 375 CD1 LEU A 32 15.439 0.859 0.779 1.00 0.00 C ATOM 376 CD2 LEU A 32 14.209 -1.280 1.184 1.00 0.00 C ATOM 0 H LEU A 32 13.427 0.295 3.900 1.00 0.00 H new ATOM 0 HA LEU A 32 15.963 0.121 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.680 -0.230 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.487 -1.338 3.293 1.00 0.00 H new ATOM 0 HG LEU A 32 13.865 0.570 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.764 1.071 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.757 1.796 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.312 0.322 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.550 -1.040 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.053 -1.869 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.657 -1.855 1.928 1.00 0.00 H new ATOM 388 N VAL A 33 15.460 2.847 3.292 1.00 0.00 N ATOM 389 CA VAL A 33 16.005 4.172 3.012 1.00 0.00 C ATOM 390 C VAL A 33 16.275 4.933 4.308 1.00 0.00 C ATOM 391 O VAL A 33 17.162 5.785 4.366 1.00 0.00 O ATOM 392 CB VAL A 33 15.051 5.001 2.125 1.00 0.00 C ATOM 393 CG1 VAL A 33 15.582 6.414 1.928 1.00 0.00 C ATOM 394 CG2 VAL A 33 14.842 4.316 0.783 1.00 0.00 C ATOM 0 H VAL A 33 14.524 2.686 2.919 1.00 0.00 H new ATOM 0 HA VAL A 33 16.942 4.025 2.476 1.00 0.00 H new ATOM 0 HB VAL A 33 14.089 5.069 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.892 6.978 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.676 6.906 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.559 6.372 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.167 4.914 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.800 4.214 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.409 3.329 0.942 1.00 0.00 H new ATOM 404 N ARG A 34 15.506 4.620 5.346 1.00 0.00 N ATOM 405 CA ARG A 34 15.663 5.274 6.639 1.00 0.00 C ATOM 406 C ARG A 34 17.068 5.060 7.194 1.00 0.00 C ATOM 407 O ARG A 34 17.727 6.007 7.623 1.00 0.00 O ATOM 408 CB ARG A 34 14.625 4.746 7.631 1.00 0.00 C ATOM 409 CG ARG A 34 14.110 5.802 8.595 1.00 0.00 C ATOM 410 CD ARG A 34 12.823 6.435 8.093 1.00 0.00 C ATOM 411 NE ARG A 34 11.674 5.549 8.268 1.00 0.00 N ATOM 412 CZ ARG A 34 10.409 5.963 8.245 1.00 0.00 C ATOM 413 NH1 ARG A 34 10.125 7.246 8.058 1.00 0.00 N ATOM 414 NH2 ARG A 34 9.423 5.091 8.411 1.00 0.00 N ATOM 0 H ARG A 34 14.768 3.917 5.316 1.00 0.00 H new ATOM 0 HA ARG A 34 15.509 6.344 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.783 4.331 7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.064 3.928 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.938 5.351 9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.868 6.574 8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.646 7.369 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.930 6.686 7.038 1.00 0.00 H new ATOM 0 HE ARG A 34 11.852 4.556 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.878 7.922 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.153 7.556 8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.634 4.104 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.454 5.408 8.393 1.00 0.00 H new ATOM 428 N GLY A 35 17.521 3.810 7.184 1.00 0.00 N ATOM 429 CA GLY A 35 18.845 3.498 7.691 1.00 0.00 C ATOM 430 C GLY A 35 19.610 2.552 6.786 1.00 0.00 C ATOM 431 O GLY A 35 20.798 2.752 6.530 1.00 0.00 O ATOM 0 H GLY A 35 16.996 3.009 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.412 4.422 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.755 3.053 8.682 1.00 0.00 H new ATOM 435 N ARG A 36 18.930 1.518 6.301 1.00 0.00 N ATOM 436 CA ARG A 36 19.553 0.536 5.419 1.00 0.00 C ATOM 437 C ARG A 36 20.151 1.210 4.187 1.00 0.00 C ATOM 438 O ARG A 36 19.427 1.647 3.294 1.00 0.00 O ATOM 439 CB ARG A 36 18.529 -0.516 4.991 1.00 0.00 C ATOM 440 CG ARG A 36 19.154 -1.765 4.391 1.00 0.00 C ATOM 441 CD ARG A 36 18.616 -2.046 2.997 1.00 0.00 C ATOM 442 NE ARG A 36 19.476 -2.963 2.253 1.00 0.00 N ATOM 443 CZ ARG A 36 19.438 -3.107 0.930 1.00 0.00 C ATOM 444 NH1 ARG A 36 18.588 -2.393 0.202 1.00 0.00 N ATOM 445 NH2 ARG A 36 20.253 -3.965 0.334 1.00 0.00 N ATOM 0 H ARG A 36 17.947 1.338 6.504 1.00 0.00 H new ATOM 0 HA ARG A 36 20.358 0.049 5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.929 -0.800 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.849 -0.074 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.237 -1.645 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 36 18.954 -2.619 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.615 -2.470 3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 36 18.525 -1.109 2.448 1.00 0.00 H new ATOM 0 HE ARG A 36 20.145 -3.526 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.960 -1.730 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.563 -2.507 -0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.909 -4.515 0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.224 -4.076 -0.680 1.00 0.00 H new ATOM 459 N GLY A 37 21.477 1.290 4.148 1.00 0.00 N ATOM 460 CA GLY A 37 22.149 1.911 3.023 1.00 0.00 C ATOM 461 C GLY A 37 22.698 3.283 3.361 1.00 0.00 C ATOM 462 O GLY A 37 22.469 4.226 2.574 1.00 0.00 O ATOM 463 OXT GLY A 37 23.357 3.416 4.414 1.00 0.00 O ATOM 0 H GLY A 37 22.098 0.936 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 22.964 1.268 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 37 21.452 1.997 2.190 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 6.816 -6.768 -1.615 1.00 0.00 O HETATM 469 C02 D6M A1038 7.898 -6.191 -1.510 1.00 0.00 C HETATM 470 N03 D6M A1038 8.495 -5.680 -2.583 1.00 0.00 N HETATM 471 C04 D6M A1038 7.900 -5.783 -3.911 1.00 0.00 C HETATM 472 C05 D6M A1038 8.174 -4.512 -4.716 1.00 0.00 C HETATM 473 C06 D6M A1038 7.072 -3.471 -4.605 1.00 0.00 C HETATM 474 C07 D6M A1038 7.326 -2.258 -5.479 1.00 0.00 C HETATM 475 O08 D6M A1038 7.317 -2.408 -6.700 1.00 0.00 O HETATM 476 C09 D6M A1038 8.440 -6.999 -4.657 1.00 0.00 C HETATM 477 O10 D6M A1038 7.665 -7.954 -4.870 1.00 0.00 O HETATM 478 O11 D6M A1038 9.635 -6.985 -5.021 1.00 0.00 O HETATM 479 C12 D6M A1038 8.521 -6.083 -0.131 1.00 0.00 C HETATM 480 C13 D6M A1038 9.944 -6.616 -0.088 1.00 0.00 C HETATM 481 C14 D6M A1038 10.712 -6.057 1.100 1.00 0.00 C HETATM 482 C15 D6M A1038 12.186 -6.424 1.034 1.00 0.00 C HETATM 483 C16 D6M A1038 13.023 -5.285 0.471 1.00 0.00 C HETATM 484 C17 D6M A1038 13.802 -5.720 -0.760 1.00 0.00 C HETATM 485 C18 D6M A1038 13.816 -4.635 -1.825 1.00 0.00 C HETATM 486 C19 D6M A1038 14.845 -3.562 -1.511 1.00 0.00 C HETATM 487 C20 D6M A1038 14.654 -2.333 -2.386 1.00 0.00 C HETATM 488 C21 D6M A1038 15.324 -1.108 -1.782 1.00 0.00 C HETATM 489 C22 D6M A1038 16.262 -0.437 -2.773 1.00 0.00 C HETATM 490 C23 D6M A1038 15.562 0.674 -3.537 1.00 0.00 C HETATM 491 C24 D6M A1038 15.533 1.968 -2.739 1.00 0.00 C HETATM 492 C25 D6M A1038 16.914 2.596 -2.644 1.00 0.00 C HETATM 493 C26 D6M A1038 17.137 3.258 -1.302 1.00 0.00 C HETATM 0 H263 D6M A1038 16.394 4.041 -1.155 1.00 0.00 H new HETATM 0 H262 D6M A1038 17.043 2.515 -0.510 1.00 0.00 H new HETATM 0 H261 D6M A1038 18.135 3.695 -1.273 1.00 0.00 H new HETATM 0 H252 D6M A1038 17.674 1.830 -2.803 1.00 0.00 H new HETATM 0 H251 D6M A1038 17.034 3.333 -3.438 1.00 0.00 H new HETATM 0 H242 D6M A1038 14.844 2.671 -3.208 1.00 0.00 H new HETATM 0 H241 D6M A1038 15.153 1.770 -1.737 1.00 0.00 H new HETATM 0 H232 D6M A1038 16.072 0.842 -4.485 1.00 0.00 H new HETATM 0 H231 D6M A1038 14.543 0.368 -3.773 1.00 0.00 H new HETATM 0 H222 D6M A1038 17.122 -0.029 -2.242 1.00 0.00 H new HETATM 0 H221 D6M A1038 16.643 -1.179 -3.475 1.00 0.00 H new HETATM 0 H212 D6M A1038 14.563 -0.397 -1.462 1.00 0.00 H new HETATM 0 H211 D6M A1038 15.882 -1.399 -0.892 1.00 0.00 H new HETATM 0 H202 D6M A1038 15.067 -2.523 -3.377 1.00 0.00 H new HETATM 0 H201 D6M A1038 13.589 -2.140 -2.516 1.00 0.00 H new HETATM 0 H192 D6M A1038 14.767 -3.278 -0.461 1.00 0.00 H new HETATM 0 H191 D6M A1038 15.847 -3.963 -1.659 1.00 0.00 H new HETATM 0 H182 D6M A1038 14.036 -5.079 -2.796 1.00 0.00 H new HETATM 0 H181 D6M A1038 12.827 -4.182 -1.898 1.00 0.00 H new HETATM 0 H172 D6M A1038 14.825 -5.965 -0.476 1.00 0.00 H new HETATM 0 H171 D6M A1038 13.359 -6.628 -1.170 1.00 0.00 H new HETATM 0 H162 D6M A1038 12.374 -4.448 0.215 1.00 0.00 H new HETATM 0 H161 D6M A1038 13.716 -4.930 1.234 1.00 0.00 H new HETATM 0 H152 D6M A1038 12.543 -6.680 2.032 1.00 0.00 H new HETATM 0 H151 D6M A1038 12.313 -7.311 0.413 1.00 0.00 H new HETATM 0 H142 D6M A1038 10.607 -4.972 1.125 1.00 0.00 H new HETATM 0 H141 D6M A1038 10.282 -6.440 2.025 1.00 0.00 H new HETATM 0 H132 D6M A1038 9.925 -7.704 -0.031 1.00 0.00 H new HETATM 0 H131 D6M A1038 10.460 -6.355 -1.012 1.00 0.00 H new HETATM 0 H122 D6M A1038 8.518 -5.039 0.184 1.00 0.00 H new HETATM 0 H121 D6M A1038 7.909 -6.633 0.584 1.00 0.00 H new HETATM 0 H062 D6M A1038 6.121 -3.923 -4.885 1.00 0.00 H new HETATM 0 H061 D6M A1038 6.981 -3.153 -3.566 1.00 0.00 H new HETATM 0 H052 D6M A1038 9.112 -4.073 -4.377 1.00 0.00 H new HETATM 0 H051 D6M A1038 8.307 -4.778 -5.765 1.00 0.00 H new HETATM 0 H11 D6M A1038 9.846 -7.823 -5.483 1.00 0.00 H new HETATM 0 H04 D6M A1038 6.823 -5.903 -3.791 1.00 0.00 H new HETATM 0 H03 D6M A1038 9.391 -5.204 -2.475 1.00 0.00 H new