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 Set 1.1: A 13 THR OG1 : rot 180:sc= 0.0108 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.23) USER MOD Single : A 11 THR OG1 : rot 91:sc= 0.0191 USER MOD Single : A 17 SER OG : rot 180:sc= 0.138 USER MOD Single : A 18 SER OG : rot 91:sc= 0.105 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= -0.0538 (180deg=-0.0538) USER MOD Single : A1038 D6M O11 : rot 180:sc= -0.669 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -30.301 -4.245 -1.431 1.00 0.00 N ATOM 2 CA HIS A 7 -29.797 -3.530 -0.229 1.00 0.00 C ATOM 3 C HIS A 7 -29.373 -2.106 -0.571 1.00 0.00 C ATOM 4 O HIS A 7 -28.771 -1.861 -1.617 1.00 0.00 O ATOM 5 CB HIS A 7 -28.611 -4.311 0.342 1.00 0.00 C ATOM 6 CG HIS A 7 -29.014 -5.450 1.226 1.00 0.00 C ATOM 7 ND1 HIS A 7 -30.062 -5.376 2.119 1.00 0.00 N ATOM 8 CD2 HIS A 7 -28.504 -6.699 1.351 1.00 0.00 C ATOM 9 CE1 HIS A 7 -30.178 -6.528 2.756 1.00 0.00 C ATOM 10 NE2 HIS A 7 -29.245 -7.347 2.307 1.00 0.00 N ATOM 0 HA HIS A 7 -30.596 -3.466 0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -28.010 -4.696 -0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -27.976 -3.629 0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -27.670 -7.108 0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -30.911 -6.760 3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -29.099 -8.307 2.620 1.00 0.00 H new ATOM 21 N ALA A 8 -29.689 -1.170 0.318 1.00 0.00 N ATOM 22 CA ALA A 8 -29.339 0.229 0.110 1.00 0.00 C ATOM 23 C ALA A 8 -28.087 0.604 0.895 1.00 0.00 C ATOM 24 O ALA A 8 -28.169 1.035 2.045 1.00 0.00 O ATOM 25 CB ALA A 8 -30.501 1.128 0.505 1.00 0.00 C ATOM 0 H ALA A 8 -30.187 -1.356 1.189 1.00 0.00 H new ATOM 0 HA ALA A 8 -29.128 0.371 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -30.226 2.170 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -31.372 0.885 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -30.739 0.974 1.557 1.00 0.00 H new ATOM 31 N GLU A 9 -26.929 0.440 0.264 1.00 0.00 N ATOM 32 CA GLU A 9 -25.658 0.761 0.902 1.00 0.00 C ATOM 33 C GLU A 9 -24.559 0.950 -0.140 1.00 0.00 C ATOM 34 O GLU A 9 -24.817 0.903 -1.343 1.00 0.00 O ATOM 35 CB GLU A 9 -25.264 -0.344 1.885 1.00 0.00 C ATOM 36 CG GLU A 9 -25.529 0.011 3.339 1.00 0.00 C ATOM 37 CD GLU A 9 -24.608 1.101 3.850 1.00 0.00 C ATOM 38 OE1 GLU A 9 -24.674 2.231 3.322 1.00 0.00 O ATOM 39 OE2 GLU A 9 -23.819 0.824 4.778 1.00 0.00 O ATOM 0 H GLU A 9 -26.845 0.086 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.779 1.696 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -25.812 -1.253 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.204 -0.567 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.564 0.335 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -25.408 -0.880 3.955 1.00 0.00 H new ATOM 46 N GLY A 10 -23.334 1.163 0.331 1.00 0.00 N ATOM 47 CA GLY A 10 -22.215 1.355 -0.573 1.00 0.00 C ATOM 48 C GLY A 10 -20.977 0.600 -0.134 1.00 0.00 C ATOM 49 O GLY A 10 -20.962 -0.014 0.933 1.00 0.00 O ATOM 0 H GLY A 10 -23.097 1.206 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.500 1.028 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.984 2.418 -0.639 1.00 0.00 H new ATOM 53 N THR A 11 -19.935 0.645 -0.958 1.00 0.00 N ATOM 54 CA THR A 11 -18.686 -0.040 -0.649 1.00 0.00 C ATOM 55 C THR A 11 -17.875 0.745 0.376 1.00 0.00 C ATOM 56 O THR A 11 -18.147 1.919 0.631 1.00 0.00 O ATOM 57 CB THR A 11 -17.863 -0.241 -1.922 1.00 0.00 C ATOM 58 OG1 THR A 11 -18.699 -0.228 -3.066 1.00 0.00 O ATOM 59 CG2 THR A 11 -17.088 -1.541 -1.933 1.00 0.00 C ATOM 0 H THR A 11 -19.931 1.149 -1.845 1.00 0.00 H new ATOM 0 HA THR A 11 -18.929 -1.014 -0.224 1.00 0.00 H new ATOM 0 HB THR A 11 -17.153 0.586 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.768 0.687 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.526 -1.622 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.398 -1.560 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.781 -2.379 -1.854 1.00 0.00 H new ATOM 67 N PHE A 12 -16.877 0.091 0.962 1.00 0.00 N ATOM 68 CA PHE A 12 -16.027 0.729 1.960 1.00 0.00 C ATOM 69 C PHE A 12 -14.822 -0.145 2.291 1.00 0.00 C ATOM 70 O PHE A 12 -13.702 0.348 2.423 1.00 0.00 O ATOM 71 CB PHE A 12 -16.826 1.019 3.232 1.00 0.00 C ATOM 72 CG PHE A 12 -16.047 1.776 4.270 1.00 0.00 C ATOM 73 CD1 PHE A 12 -15.354 2.927 3.931 1.00 0.00 C ATOM 74 CD2 PHE A 12 -16.011 1.338 5.584 1.00 0.00 C ATOM 75 CE1 PHE A 12 -14.638 3.626 4.884 1.00 0.00 C ATOM 76 CE2 PHE A 12 -15.296 2.033 6.541 1.00 0.00 C ATOM 77 CZ PHE A 12 -14.609 3.179 6.191 1.00 0.00 C ATOM 0 H PHE A 12 -16.637 -0.880 0.763 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.666 1.669 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.717 1.590 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.166 0.076 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.374 3.282 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.548 0.443 5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.101 4.521 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.274 1.680 7.562 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.050 3.724 6.937 1.00 0.00 H new ATOM 87 N THR A 13 -15.059 -1.447 2.426 1.00 0.00 N ATOM 88 CA THR A 13 -13.992 -2.390 2.743 1.00 0.00 C ATOM 89 C THR A 13 -12.878 -2.327 1.703 1.00 0.00 C ATOM 90 O THR A 13 -11.772 -1.869 1.990 1.00 0.00 O ATOM 91 CB THR A 13 -14.549 -3.813 2.824 1.00 0.00 C ATOM 92 OG1 THR A 13 -15.129 -4.195 1.589 1.00 0.00 O ATOM 93 CG2 THR A 13 -15.603 -3.983 3.897 1.00 0.00 C ATOM 0 H THR A 13 -15.980 -1.872 2.321 1.00 0.00 H new ATOM 0 HA THR A 13 -13.574 -2.113 3.711 1.00 0.00 H new ATOM 0 HB THR A 13 -13.695 -4.444 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.478 -5.108 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.956 -5.014 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.174 -3.743 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.440 -3.314 3.694 1.00 0.00 H new ATOM 101 N SER A 14 -13.177 -2.791 0.494 1.00 0.00 N ATOM 102 CA SER A 14 -12.200 -2.788 -0.590 1.00 0.00 C ATOM 103 C SER A 14 -12.155 -1.429 -1.285 1.00 0.00 C ATOM 104 O SER A 14 -11.154 -1.076 -1.909 1.00 0.00 O ATOM 105 CB SER A 14 -12.533 -3.881 -1.606 1.00 0.00 C ATOM 106 OG SER A 14 -12.448 -5.168 -1.018 1.00 0.00 O ATOM 0 H SER A 14 -14.088 -3.174 0.240 1.00 0.00 H new ATOM 0 HA SER A 14 -11.219 -2.986 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.537 -3.723 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.847 -3.818 -2.451 1.00 0.00 H new ATOM 0 HG SER A 14 -12.667 -5.849 -1.688 1.00 0.00 H new ATOM 112 N ASP A 15 -13.243 -0.672 -1.176 1.00 0.00 N ATOM 113 CA ASP A 15 -13.325 0.646 -1.797 1.00 0.00 C ATOM 114 C ASP A 15 -12.165 1.536 -1.355 1.00 0.00 C ATOM 115 O ASP A 15 -11.724 2.411 -2.100 1.00 0.00 O ATOM 116 CB ASP A 15 -14.656 1.314 -1.449 1.00 0.00 C ATOM 117 CG ASP A 15 -15.250 2.068 -2.623 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.736 1.409 -3.566 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.229 3.316 -2.600 1.00 0.00 O ATOM 0 H ASP A 15 -14.080 -0.949 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.262 0.513 -2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.363 0.555 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.507 2.002 -0.617 1.00 0.00 H new ATOM 124 N VAL A 16 -11.677 1.307 -0.140 1.00 0.00 N ATOM 125 CA VAL A 16 -10.571 2.089 0.397 1.00 0.00 C ATOM 126 C VAL A 16 -9.232 1.585 -0.133 1.00 0.00 C ATOM 127 O VAL A 16 -8.546 2.281 -0.880 1.00 0.00 O ATOM 128 CB VAL A 16 -10.549 2.052 1.937 1.00 0.00 C ATOM 129 CG1 VAL A 16 -9.473 2.980 2.480 1.00 0.00 C ATOM 130 CG2 VAL A 16 -11.913 2.420 2.500 1.00 0.00 C ATOM 0 H VAL A 16 -12.030 0.587 0.490 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.724 3.117 0.070 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.313 1.036 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.474 2.940 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.499 2.666 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.675 4.001 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.878 2.388 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.182 3.425 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.658 1.711 2.140 1.00 0.00 H new ATOM 140 N SER A 17 -8.865 0.368 0.258 1.00 0.00 N ATOM 141 CA SER A 17 -7.607 -0.231 -0.179 1.00 0.00 C ATOM 142 C SER A 17 -7.438 -0.119 -1.693 1.00 0.00 C ATOM 143 O SER A 17 -6.318 -0.102 -2.203 1.00 0.00 O ATOM 144 CB SER A 17 -7.544 -1.700 0.244 1.00 0.00 C ATOM 145 OG SER A 17 -8.421 -1.957 1.327 1.00 0.00 O ATOM 0 H SER A 17 -9.421 -0.223 0.877 1.00 0.00 H new ATOM 0 HA SER A 17 -6.793 0.316 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.808 -2.336 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.524 -1.956 0.530 1.00 0.00 H new ATOM 0 HG SER A 17 -8.363 -2.903 1.577 1.00 0.00 H new ATOM 151 N SER A 18 -8.558 -0.046 -2.405 1.00 0.00 N ATOM 152 CA SER A 18 -8.535 0.062 -3.858 1.00 0.00 C ATOM 153 C SER A 18 -7.876 1.364 -4.307 1.00 0.00 C ATOM 154 O SER A 18 -7.292 1.431 -5.388 1.00 0.00 O ATOM 155 CB SER A 18 -9.956 -0.021 -4.418 1.00 0.00 C ATOM 156 OG SER A 18 -10.299 -1.357 -4.744 1.00 0.00 O ATOM 0 H SER A 18 -9.493 -0.060 -1.998 1.00 0.00 H new ATOM 0 HA SER A 18 -7.946 -0.770 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.662 0.371 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.037 0.606 -5.306 1.00 0.00 H new ATOM 0 HG SER A 18 -10.720 -1.785 -3.969 1.00 0.00 H new ATOM 162 N TYR A 19 -7.976 2.399 -3.477 1.00 0.00 N ATOM 163 CA TYR A 19 -7.389 3.693 -3.808 1.00 0.00 C ATOM 164 C TYR A 19 -5.949 3.787 -3.308 1.00 0.00 C ATOM 165 O TYR A 19 -5.126 4.493 -3.890 1.00 0.00 O ATOM 166 CB TYR A 19 -8.246 4.838 -3.237 1.00 0.00 C ATOM 167 CG TYR A 19 -7.871 5.286 -1.837 1.00 0.00 C ATOM 168 CD1 TYR A 19 -6.715 6.023 -1.606 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.681 4.982 -0.750 1.00 0.00 C ATOM 170 CE1 TYR A 19 -6.375 6.439 -0.333 1.00 0.00 C ATOM 171 CE2 TYR A 19 -8.349 5.397 0.526 1.00 0.00 C ATOM 172 CZ TYR A 19 -7.196 6.124 0.729 1.00 0.00 C ATOM 173 OH TYR A 19 -6.862 6.538 1.998 1.00 0.00 O ATOM 0 H TYR A 19 -8.454 2.367 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.370 3.789 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.174 5.694 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.290 4.523 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.072 6.275 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.585 4.412 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.471 7.008 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.990 5.153 1.360 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.546 6.235 2.631 1.00 0.00 H new ATOM 183 N LEU A 20 -5.650 3.074 -2.226 1.00 0.00 N ATOM 184 CA LEU A 20 -4.308 3.084 -1.655 1.00 0.00 C ATOM 185 C LEU A 20 -3.353 2.234 -2.491 1.00 0.00 C ATOM 186 O LEU A 20 -2.643 2.752 -3.353 1.00 0.00 O ATOM 187 CB LEU A 20 -4.339 2.578 -0.210 1.00 0.00 C ATOM 188 CG LEU A 20 -4.882 3.576 0.816 1.00 0.00 C ATOM 189 CD1 LEU A 20 -6.335 3.269 1.141 1.00 0.00 C ATOM 190 CD2 LEU A 20 -4.035 3.556 2.080 1.00 0.00 C ATOM 0 H LEU A 20 -6.317 2.484 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.945 4.112 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.946 1.674 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.327 2.295 0.081 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.831 4.576 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.704 3.988 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.933 3.336 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.411 2.262 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.436 4.272 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.054 2.557 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.008 3.825 1.834 1.00 0.00 H new ATOM 202 N GLU A 21 -3.339 0.927 -2.234 1.00 0.00 N ATOM 203 CA GLU A 21 -2.470 0.006 -2.963 1.00 0.00 C ATOM 204 C GLU A 21 -2.466 -1.369 -2.302 1.00 0.00 C ATOM 205 O GLU A 21 -2.896 -2.358 -2.896 1.00 0.00 O ATOM 206 CB GLU A 21 -1.040 0.554 -3.033 1.00 0.00 C ATOM 207 CG GLU A 21 -0.605 0.942 -4.436 1.00 0.00 C ATOM 208 CD GLU A 21 -0.709 -0.209 -5.417 1.00 0.00 C ATOM 209 OE1 GLU A 21 0.013 -1.211 -5.235 1.00 0.00 O ATOM 210 OE2 GLU A 21 -1.513 -0.108 -6.369 1.00 0.00 O ATOM 0 H GLU A 21 -3.921 0.482 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.859 -0.093 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.962 1.426 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.353 -0.197 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.220 1.771 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.425 1.299 -4.408 1.00 0.00 H new ATOM 217 N GLY A 22 -1.974 -1.422 -1.068 1.00 0.00 N ATOM 218 CA GLY A 22 -1.920 -2.677 -0.342 1.00 0.00 C ATOM 219 C GLY A 22 -1.111 -2.569 0.935 1.00 0.00 C ATOM 220 O GLY A 22 -0.839 -1.468 1.414 1.00 0.00 O ATOM 0 H GLY A 22 -1.611 -0.617 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.933 -2.999 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.485 -3.445 -0.981 1.00 0.00 H new ATOM 224 N GLN A 23 -0.724 -3.713 1.489 1.00 0.00 N ATOM 225 CA GLN A 23 0.058 -3.739 2.719 1.00 0.00 C ATOM 226 C GLN A 23 1.553 -3.711 2.416 1.00 0.00 C ATOM 227 O GLN A 23 2.319 -3.016 3.084 1.00 0.00 O ATOM 228 CB GLN A 23 -0.285 -4.983 3.541 1.00 0.00 C ATOM 229 CG GLN A 23 -0.351 -4.724 5.037 1.00 0.00 C ATOM 230 CD GLN A 23 -0.460 -6.001 5.846 1.00 0.00 C ATOM 231 OE1 GLN A 23 -1.531 -6.340 6.351 1.00 0.00 O ATOM 232 NE2 GLN A 23 0.651 -6.717 5.975 1.00 0.00 N ATOM 0 H GLN A 23 -0.939 -4.634 1.106 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.193 -2.850 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.245 -5.376 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.461 -5.754 3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.540 -4.177 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.208 -4.087 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.517 -6.398 5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.639 -7.586 6.510 1.00 0.00 H new ATOM 241 N ALA A 24 1.962 -4.472 1.406 1.00 0.00 N ATOM 242 CA ALA A 24 3.365 -4.534 1.016 1.00 0.00 C ATOM 243 C ALA A 24 3.863 -3.180 0.519 1.00 0.00 C ATOM 244 O ALA A 24 5.056 -2.884 0.590 1.00 0.00 O ATOM 245 CB ALA A 24 3.568 -5.597 -0.053 1.00 0.00 C ATOM 0 H ALA A 24 1.342 -5.054 0.843 1.00 0.00 H new ATOM 0 HA ALA A 24 3.948 -4.802 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.620 -5.633 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.264 -6.568 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.966 -5.353 -0.928 1.00 0.00 H new ATOM 251 N ALA A 25 2.943 -2.361 0.017 1.00 0.00 N ATOM 252 CA ALA A 25 3.291 -1.038 -0.492 1.00 0.00 C ATOM 253 C ALA A 25 4.043 -0.223 0.556 1.00 0.00 C ATOM 254 O ALA A 25 5.008 0.473 0.245 1.00 0.00 O ATOM 255 CB ALA A 25 2.035 -0.301 -0.937 1.00 0.00 C ATOM 0 H ALA A 25 1.951 -2.590 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 25 3.950 -1.167 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.306 0.685 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.540 -0.868 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.358 -0.191 -0.090 1.00 0.00 H new ATOM 261 N LYS A 26 3.595 -0.312 1.800 1.00 0.00 N ATOM 262 CA LYS A 26 4.227 0.417 2.893 1.00 0.00 C ATOM 263 C LYS A 26 5.332 -0.415 3.542 1.00 0.00 C ATOM 264 O LYS A 26 6.202 0.120 4.228 1.00 0.00 O ATOM 265 CB LYS A 26 3.178 0.817 3.937 1.00 0.00 C ATOM 266 CG LYS A 26 3.265 2.271 4.396 1.00 0.00 C ATOM 267 CD LYS A 26 3.496 3.246 3.243 1.00 0.00 C ATOM 268 CE LYS A 26 2.536 3.013 2.083 1.00 0.00 C ATOM 269 NZ LYS A 26 3.243 2.855 0.814 1.00 0.00 N ATOM 0 H LYS A 26 2.796 -0.882 2.079 1.00 0.00 H new ATOM 0 HA LYS A 26 4.681 1.319 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.185 0.638 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.283 0.168 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.344 2.539 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.076 2.371 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.381 4.267 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.522 3.147 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.939 2.122 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.843 3.852 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.555 2.698 0.050 1.00 0.00 H new ATOM 281 N GLU A 27 5.287 -1.726 3.332 1.00 0.00 N ATOM 282 CA GLU A 27 6.280 -2.627 3.905 1.00 0.00 C ATOM 283 C GLU A 27 7.652 -2.449 3.253 1.00 0.00 C ATOM 284 O GLU A 27 8.672 -2.813 3.838 1.00 0.00 O ATOM 285 CB GLU A 27 5.821 -4.079 3.757 1.00 0.00 C ATOM 286 CG GLU A 27 6.168 -4.953 4.952 1.00 0.00 C ATOM 287 CD GLU A 27 5.064 -5.934 5.296 1.00 0.00 C ATOM 288 OE1 GLU A 27 3.879 -5.573 5.138 1.00 0.00 O ATOM 289 OE2 GLU A 27 5.385 -7.062 5.724 1.00 0.00 O ATOM 0 H GLU A 27 4.573 -2.189 2.769 1.00 0.00 H new ATOM 0 HA GLU A 27 6.377 -2.379 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.742 -4.096 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.275 -4.505 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.085 -5.503 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.368 -4.319 5.816 1.00 0.00 H new ATOM 296 N PHE A 28 7.679 -1.899 2.040 1.00 0.00 N ATOM 297 CA PHE A 28 8.941 -1.697 1.331 1.00 0.00 C ATOM 298 C PHE A 28 9.552 -0.331 1.647 1.00 0.00 C ATOM 299 O PHE A 28 10.768 -0.202 1.770 1.00 0.00 O ATOM 300 CB PHE A 28 8.745 -1.864 -0.187 1.00 0.00 C ATOM 301 CG PHE A 28 8.112 -0.682 -0.875 1.00 0.00 C ATOM 302 CD1 PHE A 28 8.788 0.523 -0.976 1.00 0.00 C ATOM 303 CD2 PHE A 28 6.845 -0.781 -1.426 1.00 0.00 C ATOM 304 CE1 PHE A 28 8.214 1.607 -1.605 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.266 0.302 -2.060 1.00 0.00 C ATOM 306 CZ PHE A 28 6.951 1.498 -2.148 1.00 0.00 C ATOM 0 H PHE A 28 6.851 -1.588 1.532 1.00 0.00 H new ATOM 0 HA PHE A 28 9.638 -2.459 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.715 -2.057 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.127 -2.744 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.779 0.614 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.304 -1.714 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.753 2.541 -1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.278 0.213 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.499 2.346 -2.641 1.00 0.00 H new ATOM 316 N ILE A 29 8.703 0.688 1.760 1.00 0.00 N ATOM 317 CA ILE A 29 9.164 2.049 2.042 1.00 0.00 C ATOM 318 C ILE A 29 10.200 2.077 3.165 1.00 0.00 C ATOM 319 O ILE A 29 11.055 2.960 3.208 1.00 0.00 O ATOM 320 CB ILE A 29 7.986 2.973 2.416 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.461 4.422 2.530 1.00 0.00 C ATOM 322 CG2 ILE A 29 7.334 2.519 3.715 1.00 0.00 C ATOM 323 CD1 ILE A 29 7.462 5.428 2.002 1.00 0.00 C ATOM 0 H ILE A 29 7.692 0.599 1.661 1.00 0.00 H new ATOM 0 HA ILE A 29 9.631 2.413 1.127 1.00 0.00 H new ATOM 0 HB ILE A 29 7.240 2.914 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.672 4.646 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.399 4.533 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.506 3.185 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.959 1.502 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.069 2.544 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.865 6.434 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.269 5.230 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.531 5.345 2.563 1.00 0.00 H new ATOM 335 N ALA A 30 10.118 1.109 4.071 1.00 0.00 N ATOM 336 CA ALA A 30 11.050 1.034 5.189 1.00 0.00 C ATOM 337 C ALA A 30 12.459 0.683 4.719 1.00 0.00 C ATOM 338 O ALA A 30 13.443 1.027 5.374 1.00 0.00 O ATOM 339 CB ALA A 30 10.564 0.020 6.214 1.00 0.00 C ATOM 0 H ALA A 30 9.418 0.368 4.053 1.00 0.00 H new ATOM 0 HA ALA A 30 11.092 2.018 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.270 -0.026 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.585 0.320 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.489 -0.962 5.747 1.00 0.00 H new ATOM 345 N TRP A 31 12.550 -0.002 3.584 1.00 0.00 N ATOM 346 CA TRP A 31 13.841 -0.396 3.033 1.00 0.00 C ATOM 347 C TRP A 31 14.610 0.825 2.517 1.00 0.00 C ATOM 348 O TRP A 31 15.717 1.115 2.973 1.00 0.00 O ATOM 349 CB TRP A 31 13.648 -1.427 1.900 1.00 0.00 C ATOM 350 CG TRP A 31 14.218 -0.985 0.582 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.540 -0.841 0.273 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.487 -0.600 -0.590 1.00 0.00 C ATOM 353 NE1 TRP A 31 15.677 -0.382 -1.013 1.00 0.00 N ATOM 354 CE2 TRP A 31 14.432 -0.229 -1.564 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.128 -0.532 -0.913 1.00 0.00 C ATOM 356 CZ2 TRP A 31 14.063 0.207 -2.831 1.00 0.00 C ATOM 357 CZ3 TRP A 31 11.764 -0.102 -2.175 1.00 0.00 C ATOM 358 CH2 TRP A 31 12.728 0.264 -3.120 1.00 0.00 C ATOM 0 H TRP A 31 11.746 -0.295 3.029 1.00 0.00 H new ATOM 0 HA TRP A 31 14.426 -0.855 3.830 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.116 -2.367 2.192 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.583 -1.625 1.778 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.359 -1.057 0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 31 16.561 -0.187 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.376 -0.811 -0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.805 0.491 -3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.717 -0.048 -2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.412 0.598 -4.097 1.00 0.00 H new ATOM 369 N LEU A 32 14.021 1.515 1.544 1.00 0.00 N ATOM 370 CA LEU A 32 14.646 2.683 0.934 1.00 0.00 C ATOM 371 C LEU A 32 14.835 3.816 1.938 1.00 0.00 C ATOM 372 O LEU A 32 15.832 4.535 1.892 1.00 0.00 O ATOM 373 CB LEU A 32 13.804 3.168 -0.246 1.00 0.00 C ATOM 374 CG LEU A 32 12.345 3.459 0.093 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.012 4.918 -0.164 1.00 0.00 C ATOM 376 CD2 LEU A 32 11.418 2.550 -0.695 1.00 0.00 C ATOM 0 H LEU A 32 13.105 1.282 1.160 1.00 0.00 H new ATOM 0 HA LEU A 32 15.634 2.384 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.257 4.073 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.837 2.415 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 32 12.198 3.259 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.967 5.102 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.649 5.551 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.181 5.150 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.383 2.775 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.570 2.712 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.635 1.510 -0.451 1.00 0.00 H new ATOM 388 N VAL A 33 13.876 3.977 2.842 1.00 0.00 N ATOM 389 CA VAL A 33 13.954 5.033 3.843 1.00 0.00 C ATOM 390 C VAL A 33 15.067 4.751 4.849 1.00 0.00 C ATOM 391 O VAL A 33 15.622 5.673 5.447 1.00 0.00 O ATOM 392 CB VAL A 33 12.614 5.208 4.587 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.741 6.236 5.704 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.515 5.609 3.615 1.00 0.00 C ATOM 0 H VAL A 33 13.041 3.394 2.902 1.00 0.00 H new ATOM 0 HA VAL A 33 14.179 5.959 3.314 1.00 0.00 H new ATOM 0 HB VAL A 33 12.348 4.251 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.783 6.341 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.497 5.907 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.035 7.197 5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.576 5.728 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.780 6.551 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.400 4.835 2.856 1.00 0.00 H new ATOM 404 N ARG A 34 15.393 3.475 5.027 1.00 0.00 N ATOM 405 CA ARG A 34 16.446 3.081 5.955 1.00 0.00 C ATOM 406 C ARG A 34 17.816 3.209 5.295 1.00 0.00 C ATOM 407 O ARG A 34 18.561 2.235 5.188 1.00 0.00 O ATOM 408 CB ARG A 34 16.224 1.644 6.432 1.00 0.00 C ATOM 409 CG ARG A 34 15.383 1.546 7.695 1.00 0.00 C ATOM 410 CD ARG A 34 15.525 0.184 8.355 1.00 0.00 C ATOM 411 NE ARG A 34 14.370 -0.673 8.095 1.00 0.00 N ATOM 412 CZ ARG A 34 13.169 -0.483 8.636 1.00 0.00 C ATOM 413 NH1 ARG A 34 12.960 0.532 9.466 1.00 0.00 N ATOM 414 NH2 ARG A 34 12.174 -1.309 8.346 1.00 0.00 N ATOM 0 H ARG A 34 14.944 2.698 4.542 1.00 0.00 H new ATOM 0 HA ARG A 34 16.411 3.747 6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.739 1.077 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.192 1.176 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.685 2.324 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.336 1.726 7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.428 -0.304 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.646 0.313 9.431 1.00 0.00 H new ATOM 0 HE ARG A 34 14.492 -1.463 7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.722 1.171 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.037 0.673 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.329 -2.090 7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.253 -1.164 8.760 1.00 0.00 H new ATOM 428 N GLY A 35 18.137 4.419 4.849 1.00 0.00 N ATOM 429 CA GLY A 35 19.411 4.657 4.198 1.00 0.00 C ATOM 430 C GLY A 35 19.263 4.850 2.702 1.00 0.00 C ATOM 431 O GLY A 35 18.781 5.888 2.247 1.00 0.00 O ATOM 0 H GLY A 35 17.536 5.240 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.879 5.541 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.078 3.816 4.390 1.00 0.00 H new ATOM 435 N ARG A 36 19.675 3.846 1.933 1.00 0.00 N ATOM 436 CA ARG A 36 19.584 3.903 0.476 1.00 0.00 C ATOM 437 C ARG A 36 20.130 5.225 -0.061 1.00 0.00 C ATOM 438 O ARG A 36 19.705 5.701 -1.114 1.00 0.00 O ATOM 439 CB ARG A 36 18.131 3.714 0.029 1.00 0.00 C ATOM 440 CG ARG A 36 17.942 2.565 -0.948 1.00 0.00 C ATOM 441 CD ARG A 36 16.685 2.745 -1.785 1.00 0.00 C ATOM 442 NE ARG A 36 16.996 3.032 -3.184 1.00 0.00 N ATOM 443 CZ ARG A 36 17.628 2.185 -3.994 1.00 0.00 C ATOM 444 NH1 ARG A 36 18.017 0.995 -3.551 1.00 0.00 N ATOM 445 NH2 ARG A 36 17.872 2.527 -5.251 1.00 0.00 N ATOM 0 H ARG A 36 20.076 2.981 2.295 1.00 0.00 H new ATOM 0 HA ARG A 36 20.192 3.095 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.509 3.540 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.779 4.636 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.810 2.497 -1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 36 17.883 1.625 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.078 1.842 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.088 3.558 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 36 16.712 3.935 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.832 0.725 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.501 0.351 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.576 3.439 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.356 1.878 -5.871 1.00 0.00 H new ATOM 459 N GLY A 37 21.073 5.813 0.670 1.00 0.00 N ATOM 460 CA GLY A 37 21.660 7.072 0.251 1.00 0.00 C ATOM 461 C GLY A 37 21.314 8.213 1.187 1.00 0.00 C ATOM 462 O GLY A 37 20.122 8.358 1.532 1.00 0.00 O ATOM 463 OXT GLY A 37 22.235 8.961 1.577 1.00 0.00 O ATOM 0 H GLY A 37 21.441 5.439 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 37 22.743 6.965 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 37 21.315 7.313 -0.754 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 4.800 0.189 -5.081 1.00 0.00 O HETATM 469 C02 D6M A1038 5.431 1.207 -4.794 1.00 0.00 C HETATM 470 N03 D6M A1038 4.818 2.237 -4.216 1.00 0.00 N HETATM 471 C04 D6M A1038 3.391 2.203 -3.906 1.00 0.00 C HETATM 472 C05 D6M A1038 3.170 2.079 -2.395 1.00 0.00 C HETATM 473 C06 D6M A1038 3.663 3.278 -1.600 1.00 0.00 C HETATM 474 C07 D6M A1038 2.893 3.478 -0.308 1.00 0.00 C HETATM 475 O08 D6M A1038 1.924 4.237 -0.320 1.00 0.00 O HETATM 476 C09 D6M A1038 2.692 3.452 -4.433 1.00 0.00 C HETATM 477 O10 D6M A1038 1.527 3.338 -4.868 1.00 0.00 O HETATM 478 O11 D6M A1038 3.316 4.534 -4.407 1.00 0.00 O HETATM 479 C12 D6M A1038 6.898 1.271 -5.179 1.00 0.00 C HETATM 480 C13 D6M A1038 7.588 -0.082 -5.088 1.00 0.00 C HETATM 481 C14 D6M A1038 9.005 0.044 -4.549 1.00 0.00 C HETATM 482 C15 D6M A1038 9.941 0.671 -5.573 1.00 0.00 C HETATM 483 C16 D6M A1038 9.934 2.192 -5.490 1.00 0.00 C HETATM 484 C17 D6M A1038 10.300 2.682 -4.097 1.00 0.00 C HETATM 485 C18 D6M A1038 10.827 4.108 -4.124 1.00 0.00 C HETATM 486 C19 D6M A1038 9.716 5.119 -3.887 1.00 0.00 C HETATM 487 C20 D6M A1038 9.102 4.963 -2.505 1.00 0.00 C HETATM 488 C21 D6M A1038 8.565 6.285 -1.981 1.00 0.00 C HETATM 489 C22 D6M A1038 9.632 7.061 -1.225 1.00 0.00 C HETATM 490 C23 D6M A1038 9.445 6.942 0.279 1.00 0.00 C HETATM 491 C24 D6M A1038 10.595 7.585 1.039 1.00 0.00 C HETATM 492 C25 D6M A1038 10.586 9.099 0.892 1.00 0.00 C HETATM 493 C26 D6M A1038 11.660 9.751 1.738 1.00 0.00 C HETATM 0 H263 D6M A1038 11.494 9.508 2.787 1.00 0.00 H new HETATM 0 H262 D6M A1038 12.639 9.383 1.431 1.00 0.00 H new HETATM 0 H261 D6M A1038 11.621 10.832 1.606 1.00 0.00 H new HETATM 0 H252 D6M A1038 10.737 9.364 -0.155 1.00 0.00 H new HETATM 0 H251 D6M A1038 9.609 9.487 1.182 1.00 0.00 H new HETATM 0 H242 D6M A1038 10.527 7.321 2.094 1.00 0.00 H new HETATM 0 H241 D6M A1038 11.542 7.189 0.671 1.00 0.00 H new HETATM 0 H232 D6M A1038 8.507 7.416 0.568 1.00 0.00 H new HETATM 0 H231 D6M A1038 9.369 5.890 0.555 1.00 0.00 H new HETATM 0 H222 D6M A1038 10.619 6.689 -1.501 1.00 0.00 H new HETATM 0 H221 D6M A1038 9.595 8.111 -1.516 1.00 0.00 H new HETATM 0 H212 D6M A1038 8.199 6.885 -2.814 1.00 0.00 H new HETATM 0 H211 D6M A1038 7.715 6.099 -1.324 1.00 0.00 H new HETATM 0 H202 D6M A1038 8.295 4.232 -2.545 1.00 0.00 H new HETATM 0 H201 D6M A1038 9.851 4.574 -1.815 1.00 0.00 H new HETATM 0 H192 D6M A1038 10.112 6.128 -3.998 1.00 0.00 H new HETATM 0 H191 D6M A1038 8.943 4.995 -4.645 1.00 0.00 H new HETATM 0 H182 D6M A1038 11.597 4.227 -3.361 1.00 0.00 H new HETATM 0 H181 D6M A1038 11.299 4.304 -5.087 1.00 0.00 H new HETATM 0 H172 D6M A1038 9.424 2.630 -3.451 1.00 0.00 H new HETATM 0 H171 D6M A1038 11.054 2.023 -3.666 1.00 0.00 H new HETATM 0 H162 D6M A1038 10.638 2.599 -6.216 1.00 0.00 H new HETATM 0 H161 D6M A1038 8.946 2.566 -5.760 1.00 0.00 H new HETATM 0 H152 D6M A1038 10.954 0.303 -5.412 1.00 0.00 H new HETATM 0 H151 D6M A1038 9.644 0.360 -6.575 1.00 0.00 H new HETATM 0 H142 D6M A1038 8.998 0.650 -3.643 1.00 0.00 H new HETATM 0 H141 D6M A1038 9.378 -0.942 -4.270 1.00 0.00 H new HETATM 0 H132 D6M A1038 7.010 -0.742 -4.441 1.00 0.00 H new HETATM 0 H131 D6M A1038 7.614 -0.544 -6.075 1.00 0.00 H new HETATM 0 H122 D6M A1038 6.986 1.652 -6.197 1.00 0.00 H new HETATM 0 H121 D6M A1038 7.410 1.980 -4.528 1.00 0.00 H new HETATM 0 H062 D6M A1038 4.721 3.148 -1.372 1.00 0.00 H new HETATM 0 H061 D6M A1038 3.577 4.176 -2.212 1.00 0.00 H new HETATM 0 H052 D6M A1038 2.106 1.941 -2.203 1.00 0.00 H new HETATM 0 H051 D6M A1038 3.677 1.184 -2.036 1.00 0.00 H new HETATM 0 H11 D6M A1038 2.752 5.246 -4.775 1.00 0.00 H new HETATM 0 H04 D6M A1038 2.962 1.330 -4.397 1.00 0.00 H new HETATM 0 H03 D6M A1038 5.358 3.071 -3.984 1.00 0.00 H new