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 Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 52:sc= 0.063 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -160:sc= -0.224 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+ 175:sc= 0 (180deg=-0.0502) USER MOD Single : A1038 D6M O11 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -31.776 -1.735 -0.054 1.00 0.00 N ATOM 2 CA HIS A 7 -30.453 -2.277 -0.458 1.00 0.00 C ATOM 3 C HIS A 7 -29.332 -1.684 0.389 1.00 0.00 C ATOM 4 O HIS A 7 -28.945 -0.530 0.205 1.00 0.00 O ATOM 5 CB HIS A 7 -30.225 -1.953 -1.936 1.00 0.00 C ATOM 6 CG HIS A 7 -31.000 -2.833 -2.867 1.00 0.00 C ATOM 7 ND1 HIS A 7 -30.476 -3.976 -3.434 1.00 0.00 N ATOM 8 CD2 HIS A 7 -32.268 -2.733 -3.331 1.00 0.00 C ATOM 9 CE1 HIS A 7 -31.387 -4.540 -4.206 1.00 0.00 C ATOM 10 NE2 HIS A 7 -32.483 -3.806 -4.161 1.00 0.00 N ATOM 0 HA HIS A 7 -30.446 -3.356 -0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -30.499 -0.914 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -29.162 -2.046 -2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -32.978 -1.955 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -31.257 -5.447 -4.777 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -33.349 -4.004 -4.662 1.00 0.00 H new ATOM 21 N ALA A 8 -28.814 -2.481 1.318 1.00 0.00 N ATOM 22 CA ALA A 8 -27.737 -2.035 2.193 1.00 0.00 C ATOM 23 C ALA A 8 -26.377 -2.225 1.531 1.00 0.00 C ATOM 24 O ALA A 8 -26.269 -2.861 0.482 1.00 0.00 O ATOM 25 CB ALA A 8 -27.789 -2.783 3.517 1.00 0.00 C ATOM 0 H ALA A 8 -29.123 -3.439 1.484 1.00 0.00 H new ATOM 0 HA ALA A 8 -27.874 -0.970 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -26.979 -2.440 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.745 -2.593 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -27.680 -3.852 3.335 1.00 0.00 H new ATOM 31 N GLU A 9 -25.340 -1.669 2.149 1.00 0.00 N ATOM 32 CA GLU A 9 -23.986 -1.777 1.619 1.00 0.00 C ATOM 33 C GLU A 9 -22.963 -1.274 2.632 1.00 0.00 C ATOM 34 O GLU A 9 -23.213 -0.310 3.355 1.00 0.00 O ATOM 35 CB GLU A 9 -23.862 -0.987 0.315 1.00 0.00 C ATOM 36 CG GLU A 9 -22.961 -1.650 -0.714 1.00 0.00 C ATOM 37 CD GLU A 9 -22.187 -0.645 -1.544 1.00 0.00 C ATOM 38 OE1 GLU A 9 -22.809 0.030 -2.392 1.00 0.00 O ATOM 39 OE2 GLU A 9 -20.959 -0.532 -1.347 1.00 0.00 O ATOM 0 H GLU A 9 -25.412 -1.139 3.018 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.784 -2.829 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.855 -0.854 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.475 0.007 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.260 -2.312 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.566 -2.272 -1.374 1.00 0.00 H new ATOM 46 N GLY A 10 -21.810 -1.934 2.678 1.00 0.00 N ATOM 47 CA GLY A 10 -20.766 -1.540 3.605 1.00 0.00 C ATOM 48 C GLY A 10 -19.839 -0.491 3.022 1.00 0.00 C ATOM 49 O GLY A 10 -20.114 0.070 1.962 1.00 0.00 O ATOM 0 H GLY A 10 -21.580 -2.735 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.221 -1.152 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.185 -2.418 3.887 1.00 0.00 H new ATOM 53 N THR A 11 -18.738 -0.225 3.718 1.00 0.00 N ATOM 54 CA THR A 11 -17.767 0.765 3.263 1.00 0.00 C ATOM 55 C THR A 11 -17.027 0.269 2.025 1.00 0.00 C ATOM 56 O THR A 11 -16.670 -0.905 1.932 1.00 0.00 O ATOM 57 CB THR A 11 -16.767 1.079 4.377 1.00 0.00 C ATOM 58 OG1 THR A 11 -17.310 0.755 5.645 1.00 0.00 O ATOM 59 CG2 THR A 11 -16.350 2.533 4.414 1.00 0.00 C ATOM 0 H THR A 11 -18.496 -0.680 4.598 1.00 0.00 H new ATOM 0 HA THR A 11 -18.307 1.675 3.003 1.00 0.00 H new ATOM 0 HB THR A 11 -15.889 0.471 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.655 0.961 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.640 2.687 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.881 2.801 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.228 3.159 4.575 1.00 0.00 H new ATOM 67 N PHE A 12 -16.803 1.171 1.075 1.00 0.00 N ATOM 68 CA PHE A 12 -16.108 0.823 -0.159 1.00 0.00 C ATOM 69 C PHE A 12 -15.125 1.917 -0.568 1.00 0.00 C ATOM 70 O PHE A 12 -14.007 1.629 -0.991 1.00 0.00 O ATOM 71 CB PHE A 12 -17.114 0.578 -1.285 1.00 0.00 C ATOM 72 CG PHE A 12 -17.912 1.796 -1.655 1.00 0.00 C ATOM 73 CD1 PHE A 12 -17.418 2.713 -2.568 1.00 0.00 C ATOM 74 CD2 PHE A 12 -19.157 2.022 -1.090 1.00 0.00 C ATOM 75 CE1 PHE A 12 -18.150 3.834 -2.910 1.00 0.00 C ATOM 76 CE2 PHE A 12 -19.894 3.141 -1.429 1.00 0.00 C ATOM 77 CZ PHE A 12 -19.390 4.048 -2.340 1.00 0.00 C ATOM 0 H PHE A 12 -17.092 2.147 1.136 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.544 -0.092 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.580 0.222 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.797 -0.216 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.450 2.550 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -19.556 1.316 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.753 4.542 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -20.863 3.306 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 12 -19.964 4.923 -2.606 1.00 0.00 H new ATOM 87 N THR A 13 -15.551 3.172 -0.442 1.00 0.00 N ATOM 88 CA THR A 13 -14.711 4.314 -0.801 1.00 0.00 C ATOM 89 C THR A 13 -13.283 4.140 -0.288 1.00 0.00 C ATOM 90 O THR A 13 -12.320 4.491 -0.970 1.00 0.00 O ATOM 91 CB THR A 13 -15.308 5.606 -0.242 1.00 0.00 C ATOM 92 OG1 THR A 13 -14.420 6.693 -0.432 1.00 0.00 O ATOM 93 CG2 THR A 13 -15.628 5.527 1.235 1.00 0.00 C ATOM 0 H THR A 13 -16.475 3.425 -0.093 1.00 0.00 H new ATOM 0 HA THR A 13 -14.677 4.371 -1.889 1.00 0.00 H new ATOM 0 HB THR A 13 -16.238 5.756 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.821 7.510 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.048 6.476 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.351 4.730 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.716 5.318 1.794 1.00 0.00 H new ATOM 101 N SER A 14 -13.154 3.594 0.917 1.00 0.00 N ATOM 102 CA SER A 14 -11.844 3.372 1.518 1.00 0.00 C ATOM 103 C SER A 14 -11.301 1.993 1.154 1.00 0.00 C ATOM 104 O SER A 14 -10.088 1.781 1.126 1.00 0.00 O ATOM 105 CB SER A 14 -11.928 3.514 3.039 1.00 0.00 C ATOM 106 OG SER A 14 -13.224 3.191 3.512 1.00 0.00 O ATOM 0 H SER A 14 -13.940 3.297 1.496 1.00 0.00 H new ATOM 0 HA SER A 14 -11.161 4.125 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.193 2.861 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.677 4.535 3.326 1.00 0.00 H new ATOM 0 HG SER A 14 -13.491 2.315 3.163 1.00 0.00 H new ATOM 112 N ASP A 15 -12.205 1.057 0.879 1.00 0.00 N ATOM 113 CA ASP A 15 -11.814 -0.302 0.520 1.00 0.00 C ATOM 114 C ASP A 15 -11.324 -0.374 -0.924 1.00 0.00 C ATOM 115 O ASP A 15 -10.538 -1.252 -1.277 1.00 0.00 O ATOM 116 CB ASP A 15 -12.989 -1.261 0.719 1.00 0.00 C ATOM 117 CG ASP A 15 -12.550 -2.610 1.252 1.00 0.00 C ATOM 118 OD1 ASP A 15 -11.744 -2.639 2.205 1.00 0.00 O ATOM 119 OD2 ASP A 15 -13.014 -3.639 0.717 1.00 0.00 O ATOM 0 H ASP A 15 -13.213 1.215 0.898 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.993 -0.597 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.705 -0.816 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.506 -1.399 -0.230 1.00 0.00 H new ATOM 124 N VAL A 16 -11.793 0.553 -1.756 1.00 0.00 N ATOM 125 CA VAL A 16 -11.401 0.588 -3.161 1.00 0.00 C ATOM 126 C VAL A 16 -9.882 0.601 -3.311 1.00 0.00 C ATOM 127 O VAL A 16 -9.286 -0.368 -3.781 1.00 0.00 O ATOM 128 CB VAL A 16 -11.989 1.818 -3.880 1.00 0.00 C ATOM 129 CG1 VAL A 16 -11.671 1.776 -5.368 1.00 0.00 C ATOM 130 CG2 VAL A 16 -13.492 1.902 -3.652 1.00 0.00 C ATOM 0 H VAL A 16 -12.444 1.289 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.800 -0.316 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.528 2.712 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.096 2.654 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.590 1.770 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.099 0.875 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.890 2.776 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.970 1.003 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.694 1.987 -2.584 1.00 0.00 H new ATOM 140 N SER A 17 -9.258 1.703 -2.906 1.00 0.00 N ATOM 141 CA SER A 17 -7.806 1.840 -2.996 1.00 0.00 C ATOM 142 C SER A 17 -7.095 0.603 -2.449 1.00 0.00 C ATOM 143 O SER A 17 -5.973 0.293 -2.849 1.00 0.00 O ATOM 144 CB SER A 17 -7.345 3.084 -2.234 1.00 0.00 C ATOM 145 OG SER A 17 -7.295 4.215 -3.086 1.00 0.00 O ATOM 0 H SER A 17 -9.734 2.515 -2.512 1.00 0.00 H new ATOM 0 HA SER A 17 -7.545 1.944 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.025 3.279 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.360 2.906 -1.803 1.00 0.00 H new ATOM 0 HG SER A 17 -6.999 4.997 -2.575 1.00 0.00 H new ATOM 151 N SER A 18 -7.754 -0.097 -1.530 1.00 0.00 N ATOM 152 CA SER A 18 -7.185 -1.295 -0.926 1.00 0.00 C ATOM 153 C SER A 18 -7.000 -2.407 -1.957 1.00 0.00 C ATOM 154 O SER A 18 -5.933 -3.015 -2.039 1.00 0.00 O ATOM 155 CB SER A 18 -8.077 -1.788 0.215 1.00 0.00 C ATOM 156 OG SER A 18 -8.592 -0.701 0.965 1.00 0.00 O ATOM 0 H SER A 18 -8.684 0.146 -1.188 1.00 0.00 H new ATOM 0 HA SER A 18 -6.204 -1.032 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.900 -2.377 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.506 -2.447 0.869 1.00 0.00 H new ATOM 0 HG SER A 18 -8.882 -1.019 1.845 1.00 0.00 H new ATOM 162 N TYR A 19 -8.045 -2.677 -2.737 1.00 0.00 N ATOM 163 CA TYR A 19 -7.984 -3.728 -3.750 1.00 0.00 C ATOM 164 C TYR A 19 -6.894 -3.435 -4.779 1.00 0.00 C ATOM 165 O TYR A 19 -6.317 -4.352 -5.363 1.00 0.00 O ATOM 166 CB TYR A 19 -9.352 -3.904 -4.432 1.00 0.00 C ATOM 167 CG TYR A 19 -9.568 -3.047 -5.666 1.00 0.00 C ATOM 168 CD1 TYR A 19 -8.932 -3.346 -6.866 1.00 0.00 C ATOM 169 CD2 TYR A 19 -10.415 -1.947 -5.631 1.00 0.00 C ATOM 170 CE1 TYR A 19 -9.132 -2.571 -7.992 1.00 0.00 C ATOM 171 CE2 TYR A 19 -10.621 -1.168 -6.754 1.00 0.00 C ATOM 172 CZ TYR A 19 -9.977 -1.484 -7.931 1.00 0.00 C ATOM 173 OH TYR A 19 -10.180 -0.710 -9.051 1.00 0.00 O ATOM 0 H TYR A 19 -8.938 -2.186 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.729 -4.664 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.471 -4.951 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.134 -3.676 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.271 -4.198 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.921 -1.696 -4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.629 -2.816 -8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.283 -0.316 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.804 0.015 -8.839 1.00 0.00 H new ATOM 183 N LEU A 20 -6.618 -2.153 -4.997 1.00 0.00 N ATOM 184 CA LEU A 20 -5.598 -1.747 -5.957 1.00 0.00 C ATOM 185 C LEU A 20 -4.200 -2.053 -5.428 1.00 0.00 C ATOM 186 O LEU A 20 -3.566 -3.021 -5.847 1.00 0.00 O ATOM 187 CB LEU A 20 -5.726 -0.255 -6.268 1.00 0.00 C ATOM 188 CG LEU A 20 -6.841 0.105 -7.254 1.00 0.00 C ATOM 189 CD1 LEU A 20 -8.070 0.606 -6.511 1.00 0.00 C ATOM 190 CD2 LEU A 20 -6.357 1.149 -8.250 1.00 0.00 C ATOM 0 H LEU A 20 -7.085 -1.380 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.750 -2.315 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.898 0.282 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.777 0.100 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.116 -0.795 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.852 0.857 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.431 -0.172 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.809 1.493 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.163 1.392 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.054 2.049 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.507 0.754 -8.807 1.00 0.00 H new ATOM 202 N GLU A 21 -3.725 -1.222 -4.505 1.00 0.00 N ATOM 203 CA GLU A 21 -2.402 -1.406 -3.920 1.00 0.00 C ATOM 204 C GLU A 21 -2.377 -0.932 -2.470 1.00 0.00 C ATOM 205 O GLU A 21 -2.342 -1.741 -1.543 1.00 0.00 O ATOM 206 CB GLU A 21 -1.350 -0.651 -4.735 1.00 0.00 C ATOM 207 CG GLU A 21 -1.212 -1.152 -6.164 1.00 0.00 C ATOM 208 CD GLU A 21 -2.062 -0.365 -7.142 1.00 0.00 C ATOM 209 OE1 GLU A 21 -2.138 0.873 -7.000 1.00 0.00 O ATOM 210 OE2 GLU A 21 -2.651 -0.988 -8.050 1.00 0.00 O ATOM 0 H GLU A 21 -4.236 -0.415 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.169 -2.471 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.608 0.408 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.385 -0.735 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.167 -1.092 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.496 -2.203 -6.206 1.00 0.00 H new ATOM 217 N GLY A 22 -2.397 0.383 -2.282 1.00 0.00 N ATOM 218 CA GLY A 22 -2.378 0.941 -0.943 1.00 0.00 C ATOM 219 C GLY A 22 -1.077 0.667 -0.215 1.00 0.00 C ATOM 220 O GLY A 22 0.004 0.940 -0.737 1.00 0.00 O ATOM 0 H GLY A 22 -2.426 1.072 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.538 2.018 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.206 0.525 -0.369 1.00 0.00 H new ATOM 224 N GLN A 23 -1.181 0.126 0.994 1.00 0.00 N ATOM 225 CA GLN A 23 -0.005 -0.185 1.799 1.00 0.00 C ATOM 226 C GLN A 23 0.862 -1.248 1.126 1.00 0.00 C ATOM 227 O GLN A 23 2.044 -1.384 1.440 1.00 0.00 O ATOM 228 CB GLN A 23 -0.426 -0.660 3.191 1.00 0.00 C ATOM 229 CG GLN A 23 0.460 -0.133 4.307 1.00 0.00 C ATOM 230 CD GLN A 23 0.262 -0.880 5.611 1.00 0.00 C ATOM 231 OE1 GLN A 23 -0.321 -0.354 6.559 1.00 0.00 O ATOM 232 NE2 GLN A 23 0.750 -2.114 5.666 1.00 0.00 N ATOM 0 H GLN A 23 -2.069 -0.107 1.439 1.00 0.00 H new ATOM 0 HA GLN A 23 0.586 0.726 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.454 -0.348 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.414 -1.750 3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.504 -0.210 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.250 0.925 4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.226 -2.511 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.648 -2.665 6.518 1.00 0.00 H new ATOM 241 N ALA A 24 0.269 -2.001 0.202 1.00 0.00 N ATOM 242 CA ALA A 24 0.992 -3.051 -0.510 1.00 0.00 C ATOM 243 C ALA A 24 2.311 -2.531 -1.076 1.00 0.00 C ATOM 244 O ALA A 24 3.371 -3.109 -0.839 1.00 0.00 O ATOM 245 CB ALA A 24 0.128 -3.623 -1.624 1.00 0.00 C ATOM 0 H ALA A 24 -0.709 -1.903 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 24 1.222 -3.843 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.679 -4.405 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.783 -4.044 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.132 -2.831 -2.326 1.00 0.00 H new ATOM 251 N ALA A 25 2.237 -1.434 -1.823 1.00 0.00 N ATOM 252 CA ALA A 25 3.424 -0.835 -2.421 1.00 0.00 C ATOM 253 C ALA A 25 4.321 -0.217 -1.355 1.00 0.00 C ATOM 254 O ALA A 25 5.545 -0.296 -1.439 1.00 0.00 O ATOM 255 CB ALA A 25 3.023 0.213 -3.449 1.00 0.00 C ATOM 0 H ALA A 25 1.367 -0.942 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 25 3.988 -1.622 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.918 0.653 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.427 -0.255 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.436 0.993 -2.964 1.00 0.00 H new ATOM 261 N LYS A 26 3.702 0.397 -0.351 1.00 0.00 N ATOM 262 CA LYS A 26 4.439 1.035 0.740 1.00 0.00 C ATOM 263 C LYS A 26 5.564 0.139 1.259 1.00 0.00 C ATOM 264 O LYS A 26 6.558 0.628 1.794 1.00 0.00 O ATOM 265 CB LYS A 26 3.485 1.390 1.883 1.00 0.00 C ATOM 266 CG LYS A 26 3.017 2.837 1.859 1.00 0.00 C ATOM 267 CD LYS A 26 2.408 3.208 0.514 1.00 0.00 C ATOM 268 CE LYS A 26 3.361 4.053 -0.317 1.00 0.00 C ATOM 269 NZ LYS A 26 3.560 3.500 -1.654 1.00 0.00 N ATOM 0 H LYS A 26 2.688 0.467 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 26 4.890 1.946 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.615 0.735 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.981 1.193 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.282 2.995 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.859 3.496 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.153 2.301 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.479 3.756 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.969 5.067 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.322 4.123 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.148 4.150 -2.214 1.00 0.00 H new ATOM 281 N GLU A 27 5.401 -1.172 1.102 1.00 0.00 N ATOM 282 CA GLU A 27 6.402 -2.133 1.558 1.00 0.00 C ATOM 283 C GLU A 27 7.814 -1.712 1.149 1.00 0.00 C ATOM 284 O GLU A 27 8.788 -2.037 1.829 1.00 0.00 O ATOM 285 CB GLU A 27 6.094 -3.523 0.998 1.00 0.00 C ATOM 286 CG GLU A 27 5.155 -4.337 1.874 1.00 0.00 C ATOM 287 CD GLU A 27 4.589 -5.545 1.154 1.00 0.00 C ATOM 288 OE1 GLU A 27 5.319 -6.548 1.013 1.00 0.00 O ATOM 289 OE2 GLU A 27 3.415 -5.488 0.732 1.00 0.00 O ATOM 0 H GLU A 27 4.584 -1.594 0.662 1.00 0.00 H new ATOM 0 HA GLU A 27 6.360 -2.161 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.653 -3.417 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.028 -4.071 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.689 -4.667 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.336 -3.702 2.210 1.00 0.00 H new ATOM 296 N PHE A 28 7.921 -0.989 0.037 1.00 0.00 N ATOM 297 CA PHE A 28 9.218 -0.532 -0.451 1.00 0.00 C ATOM 298 C PHE A 28 9.854 0.450 0.529 1.00 0.00 C ATOM 299 O PHE A 28 11.068 0.445 0.734 1.00 0.00 O ATOM 300 CB PHE A 28 9.073 0.103 -1.843 1.00 0.00 C ATOM 301 CG PHE A 28 8.613 1.537 -1.837 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.462 2.550 -1.423 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.334 1.870 -2.251 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.045 3.867 -1.419 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.910 3.185 -2.250 1.00 0.00 C ATOM 306 CZ PHE A 28 7.767 4.185 -1.834 1.00 0.00 C ATOM 0 H PHE A 28 7.128 -0.708 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 28 9.877 -1.397 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.034 0.046 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.366 -0.488 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.463 2.307 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.660 1.092 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.717 4.646 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.910 3.431 -2.574 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.438 5.214 -1.833 1.00 0.00 H new ATOM 316 N ILE A 29 9.020 1.290 1.133 1.00 0.00 N ATOM 317 CA ILE A 29 9.481 2.283 2.097 1.00 0.00 C ATOM 318 C ILE A 29 10.254 1.628 3.246 1.00 0.00 C ATOM 319 O ILE A 29 11.008 2.290 3.955 1.00 0.00 O ATOM 320 CB ILE A 29 8.289 3.096 2.654 1.00 0.00 C ATOM 321 CG1 ILE A 29 7.981 4.282 1.735 1.00 0.00 C ATOM 322 CG2 ILE A 29 8.558 3.579 4.075 1.00 0.00 C ATOM 323 CD1 ILE A 29 6.690 4.125 0.961 1.00 0.00 C ATOM 0 H ILE A 29 8.013 1.302 0.970 1.00 0.00 H new ATOM 0 HA ILE A 29 10.157 2.960 1.575 1.00 0.00 H new ATOM 0 HB ILE A 29 7.421 2.438 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.929 5.191 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.804 4.410 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.700 4.147 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.724 2.721 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.443 4.216 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.535 5.001 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.747 3.234 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.858 4.027 1.658 1.00 0.00 H new ATOM 335 N ALA A 30 10.057 0.331 3.432 1.00 0.00 N ATOM 336 CA ALA A 30 10.739 -0.394 4.496 1.00 0.00 C ATOM 337 C ALA A 30 12.242 -0.493 4.230 1.00 0.00 C ATOM 338 O ALA A 30 13.023 -0.760 5.143 1.00 0.00 O ATOM 339 CB ALA A 30 10.138 -1.783 4.652 1.00 0.00 C ATOM 0 H ALA A 30 9.433 -0.240 2.862 1.00 0.00 H new ATOM 0 HA ALA A 30 10.601 0.161 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.655 -2.316 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.080 -1.696 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.247 -2.334 3.718 1.00 0.00 H new ATOM 345 N TRP A 31 12.640 -0.299 2.973 1.00 0.00 N ATOM 346 CA TRP A 31 14.049 -0.393 2.594 1.00 0.00 C ATOM 347 C TRP A 31 14.787 0.942 2.758 1.00 0.00 C ATOM 348 O TRP A 31 15.743 1.033 3.529 1.00 0.00 O ATOM 349 CB TRP A 31 14.169 -0.923 1.151 1.00 0.00 C ATOM 350 CG TRP A 31 14.925 -0.027 0.210 1.00 0.00 C ATOM 351 CD1 TRP A 31 16.248 0.307 0.277 1.00 0.00 C ATOM 352 CD2 TRP A 31 14.399 0.647 -0.939 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.574 1.153 -0.756 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.456 1.375 -1.517 1.00 0.00 C ATOM 355 CE3 TRP A 31 13.136 0.707 -1.534 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.288 2.151 -2.662 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.970 1.477 -2.670 1.00 0.00 C ATOM 358 CH2 TRP A 31 14.041 2.190 -3.223 1.00 0.00 C ATOM 0 H TRP A 31 12.009 -0.077 2.203 1.00 0.00 H new ATOM 0 HA TRP A 31 14.531 -1.097 3.273 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.659 -1.896 1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 31 13.167 -1.081 0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.937 -0.043 1.032 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.497 1.551 -0.928 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.304 0.161 -1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 16.112 2.702 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.998 1.530 -3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.879 2.783 -4.111 1.00 0.00 H new ATOM 369 N LEU A 32 14.368 1.966 2.014 1.00 0.00 N ATOM 370 CA LEU A 32 15.031 3.269 2.077 1.00 0.00 C ATOM 371 C LEU A 32 15.071 3.828 3.500 1.00 0.00 C ATOM 372 O LEU A 32 15.879 4.706 3.803 1.00 0.00 O ATOM 373 CB LEU A 32 14.390 4.286 1.112 1.00 0.00 C ATOM 374 CG LEU A 32 12.859 4.356 1.092 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.290 3.364 0.091 1.00 0.00 C ATOM 376 CD2 LEU A 32 12.285 4.114 2.474 1.00 0.00 C ATOM 0 H LEU A 32 13.581 1.920 1.367 1.00 0.00 H new ATOM 0 HA LEU A 32 16.060 3.104 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.771 5.276 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.732 4.057 0.103 1.00 0.00 H new ATOM 0 HG LEU A 32 12.571 5.360 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.202 3.429 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.666 3.596 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.593 2.354 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.197 4.169 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.585 3.126 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.660 4.872 3.162 1.00 0.00 H new ATOM 388 N VAL A 33 14.209 3.322 4.377 1.00 0.00 N ATOM 389 CA VAL A 33 14.180 3.789 5.759 1.00 0.00 C ATOM 390 C VAL A 33 15.265 3.102 6.590 1.00 0.00 C ATOM 391 O VAL A 33 15.654 3.599 7.647 1.00 0.00 O ATOM 392 CB VAL A 33 12.798 3.550 6.412 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.866 3.728 7.924 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.755 4.484 5.812 1.00 0.00 C ATOM 0 H VAL A 33 13.527 2.595 4.158 1.00 0.00 H new ATOM 0 HA VAL A 33 14.371 4.862 5.738 1.00 0.00 H new ATOM 0 HB VAL A 33 12.503 2.521 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.880 3.554 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.576 3.015 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.190 4.742 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.789 4.302 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.052 5.519 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.676 4.301 4.740 1.00 0.00 H new ATOM 404 N ARG A 34 15.749 1.960 6.109 1.00 0.00 N ATOM 405 CA ARG A 34 16.786 1.215 6.814 1.00 0.00 C ATOM 406 C ARG A 34 18.096 1.228 6.032 1.00 0.00 C ATOM 407 O ARG A 34 18.447 0.248 5.374 1.00 0.00 O ATOM 408 CB ARG A 34 16.335 -0.228 7.049 1.00 0.00 C ATOM 409 CG ARG A 34 15.441 -0.396 8.267 1.00 0.00 C ATOM 410 CD ARG A 34 15.084 -1.856 8.498 1.00 0.00 C ATOM 411 NE ARG A 34 16.270 -2.686 8.691 1.00 0.00 N ATOM 412 CZ ARG A 34 16.269 -4.014 8.597 1.00 0.00 C ATOM 413 NH1 ARG A 34 15.148 -4.666 8.313 1.00 0.00 N ATOM 414 NH2 ARG A 34 17.392 -4.693 8.787 1.00 0.00 N ATOM 0 H ARG A 34 15.440 1.532 5.236 1.00 0.00 H new ATOM 0 HA ARG A 34 16.954 1.699 7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.802 -0.582 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.215 -0.861 7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.946 0.000 9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.529 0.186 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.439 -1.937 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.515 -2.229 7.646 1.00 0.00 H new ATOM 0 HE ARG A 34 17.151 -2.221 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.281 -4.149 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.154 -5.684 8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.257 -4.198 9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.391 -5.710 8.715 1.00 0.00 H new ATOM 428 N GLY A 35 18.819 2.341 6.111 1.00 0.00 N ATOM 429 CA GLY A 35 20.084 2.453 5.408 1.00 0.00 C ATOM 430 C GLY A 35 20.170 3.700 4.548 1.00 0.00 C ATOM 431 O GLY A 35 21.234 4.307 4.430 1.00 0.00 O ATOM 0 H GLY A 35 18.552 3.166 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.898 2.460 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.224 1.573 4.780 1.00 0.00 H new ATOM 435 N ARG A 36 19.049 4.082 3.945 1.00 0.00 N ATOM 436 CA ARG A 36 19.007 5.264 3.091 1.00 0.00 C ATOM 437 C ARG A 36 18.408 6.453 3.834 1.00 0.00 C ATOM 438 O ARG A 36 18.072 6.355 5.014 1.00 0.00 O ATOM 439 CB ARG A 36 18.197 4.979 1.825 1.00 0.00 C ATOM 440 CG ARG A 36 18.838 3.948 0.910 1.00 0.00 C ATOM 441 CD ARG A 36 18.806 2.557 1.524 1.00 0.00 C ATOM 442 NE ARG A 36 20.135 2.112 1.940 1.00 0.00 N ATOM 443 CZ ARG A 36 20.401 0.887 2.388 1.00 0.00 C ATOM 444 NH1 ARG A 36 19.434 -0.016 2.485 1.00 0.00 N ATOM 445 NH2 ARG A 36 21.639 0.565 2.740 1.00 0.00 N ATOM 0 H ARG A 36 18.159 3.591 4.031 1.00 0.00 H new ATOM 0 HA ARG A 36 20.031 5.512 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.204 4.632 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.063 5.909 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.316 3.936 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 36 19.870 4.233 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.137 2.556 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 36 18.397 1.851 0.801 1.00 0.00 H new ATOM 0 HE ARG A 36 20.904 2.780 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.481 0.227 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.644 -0.953 2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.386 1.256 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.844 -0.373 3.083 1.00 0.00 H new ATOM 459 N GLY A 37 18.277 7.576 3.134 1.00 0.00 N ATOM 460 CA GLY A 37 17.718 8.769 3.743 1.00 0.00 C ATOM 461 C GLY A 37 18.674 9.944 3.702 1.00 0.00 C ATOM 462 O GLY A 37 19.455 10.040 2.732 1.00 0.00 O ATOM 463 OXT GLY A 37 18.642 10.769 4.639 1.00 0.00 O ATOM 0 H GLY A 37 18.548 7.681 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.795 9.037 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.455 8.555 4.779 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 7.563 1.587 -6.715 1.00 0.00 O HETATM 469 C02 D6M A1038 7.914 2.356 -5.820 1.00 0.00 C HETATM 470 N03 D6M A1038 7.055 3.237 -5.316 1.00 0.00 N HETATM 471 C04 D6M A1038 5.680 3.327 -5.795 1.00 0.00 C HETATM 472 C05 D6M A1038 4.874 4.288 -4.917 1.00 0.00 C HETATM 473 C06 D6M A1038 3.768 3.607 -4.127 1.00 0.00 C HETATM 474 C07 D6M A1038 3.555 4.233 -2.763 1.00 0.00 C HETATM 475 O08 D6M A1038 3.377 5.450 -2.702 1.00 0.00 O HETATM 476 C09 D6M A1038 5.641 3.788 -7.249 1.00 0.00 C HETATM 477 O10 D6M A1038 4.741 3.336 -7.989 1.00 0.00 O HETATM 478 O11 D6M A1038 6.510 4.597 -7.637 1.00 0.00 O HETATM 479 C12 D6M A1038 9.340 2.262 -5.314 1.00 0.00 C HETATM 480 C13 D6M A1038 10.036 3.613 -5.272 1.00 0.00 C HETATM 481 C14 D6M A1038 11.283 3.570 -4.404 1.00 0.00 C HETATM 482 C15 D6M A1038 11.912 4.947 -4.264 1.00 0.00 C HETATM 483 C16 D6M A1038 10.962 5.927 -3.594 1.00 0.00 C HETATM 484 C17 D6M A1038 11.689 6.819 -2.601 1.00 0.00 C HETATM 485 C18 D6M A1038 10.746 7.342 -1.528 1.00 0.00 C HETATM 486 C19 D6M A1038 11.464 7.541 -0.202 1.00 0.00 C HETATM 487 C20 D6M A1038 10.662 6.972 0.957 1.00 0.00 C HETATM 488 C21 D6M A1038 11.260 7.371 2.297 1.00 0.00 C HETATM 489 C22 D6M A1038 10.341 6.999 3.451 1.00 0.00 C HETATM 490 C23 D6M A1038 10.227 8.130 4.462 1.00 0.00 C HETATM 491 C24 D6M A1038 11.016 7.830 5.727 1.00 0.00 C HETATM 492 C25 D6M A1038 11.657 9.086 6.296 1.00 0.00 C HETATM 493 C26 D6M A1038 10.622 10.138 6.636 1.00 0.00 C HETATM 0 H263 D6M A1038 10.072 10.412 5.736 1.00 0.00 H new HETATM 0 H262 D6M A1038 9.929 9.740 7.378 1.00 0.00 H new HETATM 0 H261 D6M A1038 11.119 11.020 7.040 1.00 0.00 H new HETATM 0 H252 D6M A1038 12.225 8.831 7.191 1.00 0.00 H new HETATM 0 H251 D6M A1038 12.365 9.492 5.574 1.00 0.00 H new HETATM 0 H242 D6M A1038 10.355 7.388 6.473 1.00 0.00 H new HETATM 0 H241 D6M A1038 11.789 7.093 5.509 1.00 0.00 H new HETATM 0 H232 D6M A1038 10.591 9.056 4.016 1.00 0.00 H new HETATM 0 H231 D6M A1038 9.179 8.289 4.715 1.00 0.00 H new HETATM 0 H222 D6M A1038 9.352 6.754 3.065 1.00 0.00 H new HETATM 0 H221 D6M A1038 10.720 6.105 3.946 1.00 0.00 H new HETATM 0 H212 D6M A1038 12.225 6.881 2.426 1.00 0.00 H new HETATM 0 H211 D6M A1038 11.444 8.445 2.309 1.00 0.00 H new HETATM 0 H202 D6M A1038 9.633 7.326 0.897 1.00 0.00 H new HETATM 0 H201 D6M A1038 10.631 5.885 0.880 1.00 0.00 H new HETATM 0 H192 D6M A1038 12.441 7.060 -0.240 1.00 0.00 H new HETATM 0 H191 D6M A1038 11.639 8.604 -0.038 1.00 0.00 H new HETATM 0 H182 D6M A1038 10.312 8.288 -1.853 1.00 0.00 H new HETATM 0 H181 D6M A1038 9.921 6.642 -1.395 1.00 0.00 H new HETATM 0 H172 D6M A1038 12.500 6.260 -2.134 1.00 0.00 H new HETATM 0 H171 D6M A1038 12.143 7.658 -3.128 1.00 0.00 H new HETATM 0 H162 D6M A1038 10.479 6.543 -4.352 1.00 0.00 H new HETATM 0 H161 D6M A1038 10.173 5.377 -3.081 1.00 0.00 H new HETATM 0 H152 D6M A1038 12.830 4.872 -3.681 1.00 0.00 H new HETATM 0 H151 D6M A1038 12.190 5.323 -5.249 1.00 0.00 H new HETATM 0 H142 D6M A1038 11.028 3.183 -3.417 1.00 0.00 H new HETATM 0 H141 D6M A1038 12.007 2.881 -4.839 1.00 0.00 H new HETATM 0 H132 D6M A1038 10.306 3.916 -6.284 1.00 0.00 H new HETATM 0 H131 D6M A1038 9.349 4.366 -4.886 1.00 0.00 H new HETATM 0 H122 D6M A1038 9.339 1.827 -4.315 1.00 0.00 H new HETATM 0 H121 D6M A1038 9.905 1.586 -5.955 1.00 0.00 H new HETATM 0 H062 D6M A1038 2.838 3.656 -4.694 1.00 0.00 H new HETATM 0 H061 D6M A1038 4.011 2.552 -4.004 1.00 0.00 H new HETATM 0 H052 D6M A1038 5.550 4.787 -4.223 1.00 0.00 H new HETATM 0 H051 D6M A1038 4.436 5.062 -5.547 1.00 0.00 H new HETATM 0 H11 D6M A1038 6.366 4.803 -8.584 1.00 0.00 H new HETATM 0 H04 D6M A1038 5.233 2.334 -5.737 1.00 0.00 H new HETATM 0 H03 D6M A1038 7.365 3.866 -4.575 1.00 0.00 H new