USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 263 hydrogens (37 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 26 LYS HZ1 : A 26 LYS NZ : A1038 D6M C07 :(NH2R) USER MOD NoAdj-H: A 26 LYS HZ2 : A 26 LYS NZ : A1038 D6M C07 :(NH2R) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.011 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 68:sc= 0.913 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.062) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1038 D6M O11 : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -33.816 -2.568 -2.365 1.00 0.00 N ATOM 2 CA HIS A 7 -32.415 -2.105 -2.543 1.00 0.00 C ATOM 3 C HIS A 7 -31.640 -2.174 -1.232 1.00 0.00 C ATOM 4 O HIS A 7 -32.136 -1.762 -0.183 1.00 0.00 O ATOM 5 CB HIS A 7 -32.440 -0.667 -3.066 1.00 0.00 C ATOM 6 CG HIS A 7 -33.258 -0.497 -4.309 1.00 0.00 C ATOM 7 ND1 HIS A 7 -34.364 0.323 -4.376 1.00 0.00 N ATOM 8 CD2 HIS A 7 -33.125 -1.047 -5.539 1.00 0.00 C ATOM 9 CE1 HIS A 7 -34.877 0.270 -5.592 1.00 0.00 C ATOM 10 NE2 HIS A 7 -34.143 -0.554 -6.317 1.00 0.00 N ATOM 0 HA HIS A 7 -31.911 -2.757 -3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -32.835 -0.013 -2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -31.418 -0.344 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -32.361 -1.744 -5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -35.748 0.809 -5.935 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -34.306 -0.787 -7.297 1.00 0.00 H new ATOM 21 N ALA A 8 -30.421 -2.698 -1.298 1.00 0.00 N ATOM 22 CA ALA A 8 -29.576 -2.821 -0.116 1.00 0.00 C ATOM 23 C ALA A 8 -28.348 -1.924 -0.222 1.00 0.00 C ATOM 24 O ALA A 8 -28.135 -1.265 -1.240 1.00 0.00 O ATOM 25 CB ALA A 8 -29.158 -4.270 0.084 1.00 0.00 C ATOM 0 H ALA A 8 -29.996 -3.045 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 8 -30.155 -2.498 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.528 -4.348 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.045 -4.890 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.601 -4.612 -0.789 1.00 0.00 H new ATOM 31 N GLU A 9 -27.543 -1.904 0.835 1.00 0.00 N ATOM 32 CA GLU A 9 -26.335 -1.088 0.860 1.00 0.00 C ATOM 33 C GLU A 9 -25.096 -1.943 0.614 1.00 0.00 C ATOM 34 O GLU A 9 -25.002 -3.072 1.096 1.00 0.00 O ATOM 35 CB GLU A 9 -26.211 -0.364 2.202 1.00 0.00 C ATOM 36 CG GLU A 9 -26.884 0.999 2.221 1.00 0.00 C ATOM 37 CD GLU A 9 -26.014 2.071 2.850 1.00 0.00 C ATOM 38 OE1 GLU A 9 -24.974 2.418 2.251 1.00 0.00 O ATOM 39 OE2 GLU A 9 -26.373 2.562 3.940 1.00 0.00 O ATOM 0 H GLU A 9 -27.705 -2.443 1.685 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.409 -0.349 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -26.647 -0.987 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.155 -0.242 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.133 1.291 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.822 0.929 2.771 1.00 0.00 H new ATOM 46 N GLY A 10 -24.146 -1.397 -0.139 1.00 0.00 N ATOM 47 CA GLY A 10 -22.926 -2.124 -0.435 1.00 0.00 C ATOM 48 C GLY A 10 -21.833 -1.861 0.583 1.00 0.00 C ATOM 49 O GLY A 10 -22.077 -1.245 1.620 1.00 0.00 O ATOM 0 H GLY A 10 -24.200 -0.465 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -23.141 -3.192 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.570 -1.843 -1.426 1.00 0.00 H new ATOM 53 N THR A 11 -20.625 -2.331 0.287 1.00 0.00 N ATOM 54 CA THR A 11 -19.491 -2.144 1.186 1.00 0.00 C ATOM 55 C THR A 11 -18.859 -0.770 0.986 1.00 0.00 C ATOM 56 O THR A 11 -19.321 0.023 0.165 1.00 0.00 O ATOM 57 CB THR A 11 -18.447 -3.238 0.958 1.00 0.00 C ATOM 58 OG1 THR A 11 -19.037 -4.376 0.354 1.00 0.00 O ATOM 59 CG2 THR A 11 -17.770 -3.694 2.232 1.00 0.00 C ATOM 0 H THR A 11 -20.406 -2.844 -0.567 1.00 0.00 H new ATOM 0 HA THR A 11 -19.857 -2.209 2.211 1.00 0.00 H new ATOM 0 HB THR A 11 -17.696 -2.790 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.353 -5.064 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.041 -4.471 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.263 -2.849 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.517 -4.092 2.919 1.00 0.00 H new ATOM 67 N PHE A 12 -17.800 -0.495 1.741 1.00 0.00 N ATOM 68 CA PHE A 12 -17.105 0.784 1.645 1.00 0.00 C ATOM 69 C PHE A 12 -15.798 0.756 2.430 1.00 0.00 C ATOM 70 O PHE A 12 -14.776 1.265 1.971 1.00 0.00 O ATOM 71 CB PHE A 12 -17.997 1.913 2.163 1.00 0.00 C ATOM 72 CG PHE A 12 -17.482 3.285 1.832 1.00 0.00 C ATOM 73 CD1 PHE A 12 -16.429 3.835 2.545 1.00 0.00 C ATOM 74 CD2 PHE A 12 -18.053 4.025 0.809 1.00 0.00 C ATOM 75 CE1 PHE A 12 -15.954 5.097 2.243 1.00 0.00 C ATOM 76 CE2 PHE A 12 -17.582 5.287 0.502 1.00 0.00 C ATOM 77 CZ PHE A 12 -16.532 5.824 1.220 1.00 0.00 C ATOM 0 H PHE A 12 -17.405 -1.140 2.425 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.874 0.963 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.996 1.798 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.094 1.821 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.974 3.271 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.876 3.610 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.132 5.514 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.035 5.853 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.163 6.811 0.982 1.00 0.00 H new ATOM 87 N THR A 13 -15.838 0.160 3.618 1.00 0.00 N ATOM 88 CA THR A 13 -14.657 0.068 4.468 1.00 0.00 C ATOM 89 C THR A 13 -13.507 -0.617 3.736 1.00 0.00 C ATOM 90 O THR A 13 -12.361 -0.174 3.807 1.00 0.00 O ATOM 91 CB THR A 13 -14.986 -0.695 5.752 1.00 0.00 C ATOM 92 OG1 THR A 13 -15.877 -1.764 5.486 1.00 0.00 O ATOM 93 CG2 THR A 13 -15.616 0.174 6.819 1.00 0.00 C ATOM 0 H THR A 13 -16.676 -0.266 4.013 1.00 0.00 H new ATOM 0 HA THR A 13 -14.346 1.081 4.724 1.00 0.00 H new ATOM 0 HB THR A 13 -14.029 -1.062 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.074 -2.241 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.824 -0.429 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.932 0.980 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.547 0.597 6.441 1.00 0.00 H new ATOM 101 N SER A 14 -13.821 -1.700 3.033 1.00 0.00 N ATOM 102 CA SER A 14 -12.813 -2.445 2.288 1.00 0.00 C ATOM 103 C SER A 14 -12.670 -1.901 0.871 1.00 0.00 C ATOM 104 O SER A 14 -11.590 -1.955 0.282 1.00 0.00 O ATOM 105 CB SER A 14 -13.176 -3.931 2.242 1.00 0.00 C ATOM 106 OG SER A 14 -12.052 -4.720 1.893 1.00 0.00 O ATOM 0 H SER A 14 -14.765 -2.081 2.964 1.00 0.00 H new ATOM 0 HA SER A 14 -11.859 -2.327 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.558 -4.246 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.975 -4.091 1.518 1.00 0.00 H new ATOM 0 HG SER A 14 -12.310 -5.665 1.872 1.00 0.00 H new ATOM 112 N ASP A 15 -13.764 -1.377 0.328 1.00 0.00 N ATOM 113 CA ASP A 15 -13.758 -0.823 -1.022 1.00 0.00 C ATOM 114 C ASP A 15 -12.701 0.270 -1.159 1.00 0.00 C ATOM 115 O ASP A 15 -12.193 0.522 -2.252 1.00 0.00 O ATOM 116 CB ASP A 15 -15.138 -0.263 -1.373 1.00 0.00 C ATOM 117 CG ASP A 15 -15.519 -0.530 -2.816 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.122 -1.588 -3.348 1.00 0.00 O ATOM 119 OD2 ASP A 15 -16.213 0.318 -3.414 1.00 0.00 O ATOM 0 H ASP A 15 -14.666 -1.324 0.802 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.513 -1.627 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.885 -0.706 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.149 0.811 -1.190 1.00 0.00 H new ATOM 124 N VAL A 16 -12.375 0.917 -0.044 1.00 0.00 N ATOM 125 CA VAL A 16 -11.380 1.983 -0.040 1.00 0.00 C ATOM 126 C VAL A 16 -9.967 1.425 0.114 1.00 0.00 C ATOM 127 O VAL A 16 -8.988 2.091 -0.213 1.00 0.00 O ATOM 128 CB VAL A 16 -11.641 2.995 1.092 1.00 0.00 C ATOM 129 CG1 VAL A 16 -10.781 4.236 0.906 1.00 0.00 C ATOM 130 CG2 VAL A 16 -13.118 3.363 1.154 1.00 0.00 C ATOM 0 H VAL A 16 -12.786 0.721 0.869 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.465 2.490 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.368 2.530 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.978 4.940 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.728 3.954 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.020 4.704 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.281 4.079 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.422 3.808 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.709 2.466 1.340 1.00 0.00 H new ATOM 140 N SER A 17 -9.866 0.200 0.618 1.00 0.00 N ATOM 141 CA SER A 17 -8.570 -0.438 0.810 1.00 0.00 C ATOM 142 C SER A 17 -8.158 -1.232 -0.428 1.00 0.00 C ATOM 143 O SER A 17 -6.980 -1.525 -0.624 1.00 0.00 O ATOM 144 CB SER A 17 -8.609 -1.359 2.031 1.00 0.00 C ATOM 145 OG SER A 17 -7.303 -1.624 2.512 1.00 0.00 O ATOM 0 H SER A 17 -10.664 -0.369 0.900 1.00 0.00 H new ATOM 0 HA SER A 17 -7.831 0.346 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.204 -0.898 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.100 -2.296 1.768 1.00 0.00 H new ATOM 0 HG SER A 17 -7.355 -2.213 3.293 1.00 0.00 H new ATOM 151 N SER A 18 -9.138 -1.592 -1.252 1.00 0.00 N ATOM 152 CA SER A 18 -8.874 -2.366 -2.461 1.00 0.00 C ATOM 153 C SER A 18 -8.610 -1.470 -3.671 1.00 0.00 C ATOM 154 O SER A 18 -7.917 -1.874 -4.605 1.00 0.00 O ATOM 155 CB SER A 18 -10.051 -3.297 -2.755 1.00 0.00 C ATOM 156 OG SER A 18 -10.593 -3.829 -1.558 1.00 0.00 O ATOM 0 H SER A 18 -10.120 -1.361 -1.105 1.00 0.00 H new ATOM 0 HA SER A 18 -7.974 -2.954 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.824 -2.751 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.722 -4.110 -3.402 1.00 0.00 H new ATOM 0 HG SER A 18 -11.023 -3.112 -1.047 1.00 0.00 H new ATOM 162 N TYR A 19 -9.179 -0.267 -3.667 1.00 0.00 N ATOM 163 CA TYR A 19 -9.006 0.653 -4.790 1.00 0.00 C ATOM 164 C TYR A 19 -7.644 1.348 -4.747 1.00 0.00 C ATOM 165 O TYR A 19 -7.173 1.863 -5.761 1.00 0.00 O ATOM 166 CB TYR A 19 -10.142 1.690 -4.820 1.00 0.00 C ATOM 167 CG TYR A 19 -9.859 2.962 -4.047 1.00 0.00 C ATOM 168 CD1 TYR A 19 -9.268 2.922 -2.792 1.00 0.00 C ATOM 169 CD2 TYR A 19 -10.183 4.204 -4.579 1.00 0.00 C ATOM 170 CE1 TYR A 19 -9.007 4.084 -2.089 1.00 0.00 C ATOM 171 CE2 TYR A 19 -9.926 5.369 -3.883 1.00 0.00 C ATOM 172 CZ TYR A 19 -9.338 5.304 -2.639 1.00 0.00 C ATOM 173 OH TYR A 19 -9.079 6.462 -1.942 1.00 0.00 O ATOM 0 H TYR A 19 -9.758 0.092 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.046 0.064 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.350 1.950 -5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.045 1.231 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.008 1.968 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.644 4.259 -5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.546 4.036 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.185 6.326 -4.312 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.372 7.234 -2.470 1.00 0.00 H new ATOM 183 N LEU A 20 -7.017 1.364 -3.576 1.00 0.00 N ATOM 184 CA LEU A 20 -5.714 2.002 -3.422 1.00 0.00 C ATOM 185 C LEU A 20 -4.584 1.094 -3.910 1.00 0.00 C ATOM 186 O LEU A 20 -3.420 1.493 -3.919 1.00 0.00 O ATOM 187 CB LEU A 20 -5.476 2.396 -1.960 1.00 0.00 C ATOM 188 CG LEU A 20 -5.765 1.303 -0.927 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.879 0.091 -1.167 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.564 1.841 0.481 1.00 0.00 C ATOM 0 H LEU A 20 -7.387 0.945 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.715 2.902 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.438 2.709 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.096 3.262 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.804 0.992 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.100 -0.674 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.069 -0.307 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.832 0.384 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.773 1.053 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.534 2.178 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.241 2.678 0.651 1.00 0.00 H new ATOM 202 N GLU A 21 -4.932 -0.126 -4.317 1.00 0.00 N ATOM 203 CA GLU A 21 -3.943 -1.084 -4.804 1.00 0.00 C ATOM 204 C GLU A 21 -3.039 -1.561 -3.671 1.00 0.00 C ATOM 205 O GLU A 21 -3.087 -2.725 -3.274 1.00 0.00 O ATOM 206 CB GLU A 21 -3.099 -0.463 -5.921 1.00 0.00 C ATOM 207 CG GLU A 21 -2.290 -1.481 -6.708 1.00 0.00 C ATOM 208 CD GLU A 21 -3.078 -2.094 -7.850 1.00 0.00 C ATOM 209 OE1 GLU A 21 -3.616 -1.329 -8.678 1.00 0.00 O ATOM 210 OE2 GLU A 21 -3.157 -3.338 -7.915 1.00 0.00 O ATOM 0 H GLU A 21 -5.891 -0.473 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.479 -1.945 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.755 0.075 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.420 0.271 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.396 -1.001 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.956 -2.272 -6.036 1.00 0.00 H new ATOM 217 N GLY A 22 -2.215 -0.654 -3.155 1.00 0.00 N ATOM 218 CA GLY A 22 -1.314 -1.004 -2.073 1.00 0.00 C ATOM 219 C GLY A 22 -0.418 0.149 -1.668 1.00 0.00 C ATOM 220 O GLY A 22 0.778 0.147 -1.958 1.00 0.00 O ATOM 0 H GLY A 22 -2.156 0.315 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.896 -1.328 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.697 -1.850 -2.377 1.00 0.00 H new ATOM 224 N GLN A 23 -0.997 1.138 -0.995 1.00 0.00 N ATOM 225 CA GLN A 23 -0.243 2.303 -0.548 1.00 0.00 C ATOM 226 C GLN A 23 0.765 1.919 0.531 1.00 0.00 C ATOM 227 O GLN A 23 1.819 2.541 0.660 1.00 0.00 O ATOM 228 CB GLN A 23 -1.192 3.378 -0.017 1.00 0.00 C ATOM 229 CG GLN A 23 -0.485 4.648 0.428 1.00 0.00 C ATOM 230 CD GLN A 23 0.388 5.241 -0.661 1.00 0.00 C ATOM 231 OE1 GLN A 23 -0.100 5.627 -1.723 1.00 0.00 O ATOM 232 NE2 GLN A 23 1.689 5.316 -0.402 1.00 0.00 N ATOM 0 H GLN A 23 -1.986 1.156 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 23 0.303 2.701 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.915 3.628 -0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.754 2.971 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.228 5.385 0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.128 4.431 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.051 4.984 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.326 5.706 -1.097 1.00 0.00 H new ATOM 241 N ALA A 24 0.432 0.890 1.305 1.00 0.00 N ATOM 242 CA ALA A 24 1.307 0.422 2.374 1.00 0.00 C ATOM 243 C ALA A 24 2.677 0.022 1.833 1.00 0.00 C ATOM 244 O ALA A 24 3.669 0.033 2.561 1.00 0.00 O ATOM 245 CB ALA A 24 0.666 -0.747 3.105 1.00 0.00 C ATOM 0 H ALA A 24 -0.437 0.365 1.212 1.00 0.00 H new ATOM 0 HA ALA A 24 1.450 1.244 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.329 -1.087 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.284 -0.430 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.492 -1.563 2.404 1.00 0.00 H new ATOM 251 N ALA A 25 2.726 -0.331 0.551 1.00 0.00 N ATOM 252 CA ALA A 25 3.975 -0.735 -0.084 1.00 0.00 C ATOM 253 C ALA A 25 5.041 0.347 0.056 1.00 0.00 C ATOM 254 O ALA A 25 6.142 0.086 0.539 1.00 0.00 O ATOM 255 CB ALA A 25 3.739 -1.058 -1.552 1.00 0.00 C ATOM 0 H ALA A 25 1.915 -0.345 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 25 4.337 -1.630 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.679 -1.358 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.018 -1.872 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.350 -0.176 -2.061 1.00 0.00 H new ATOM 261 N LYS A 26 4.700 1.564 -0.369 1.00 0.00 N ATOM 262 CA LYS A 26 5.617 2.705 -0.298 1.00 0.00 C ATOM 263 C LYS A 26 6.437 2.691 0.991 1.00 0.00 C ATOM 264 O LYS A 26 7.585 3.131 1.008 1.00 0.00 O ATOM 265 CB LYS A 26 4.830 4.013 -0.402 1.00 0.00 C ATOM 266 CG LYS A 26 5.661 5.199 -0.870 1.00 0.00 C ATOM 267 CD LYS A 26 6.358 4.919 -2.194 1.00 0.00 C ATOM 268 CE LYS A 26 5.370 4.512 -3.278 1.00 0.00 C ATOM 269 NZ LYS A 26 5.564 3.129 -3.704 1.00 0.00 N ATOM 0 H LYS A 26 3.789 1.787 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 26 6.311 2.628 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.998 3.871 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.400 4.245 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.018 6.073 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.406 5.442 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.902 5.808 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.094 4.127 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.353 4.638 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.480 5.175 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.871 2.893 -4.443 1.00 0.00 H new ATOM 281 N GLU A 27 5.843 2.179 2.067 1.00 0.00 N ATOM 282 CA GLU A 27 6.521 2.105 3.360 1.00 0.00 C ATOM 283 C GLU A 27 7.961 1.613 3.211 1.00 0.00 C ATOM 284 O GLU A 27 8.833 1.972 4.002 1.00 0.00 O ATOM 285 CB GLU A 27 5.753 1.180 4.306 1.00 0.00 C ATOM 286 CG GLU A 27 4.389 1.718 4.709 1.00 0.00 C ATOM 287 CD GLU A 27 3.512 0.660 5.352 1.00 0.00 C ATOM 288 OE1 GLU A 27 4.060 -0.356 5.828 1.00 0.00 O ATOM 289 OE2 GLU A 27 2.278 0.849 5.379 1.00 0.00 O ATOM 0 H GLU A 27 4.893 1.809 2.069 1.00 0.00 H new ATOM 0 HA GLU A 27 6.549 3.111 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.624 0.210 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.349 1.016 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.520 2.547 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.885 2.117 3.829 1.00 0.00 H new ATOM 296 N PHE A 28 8.204 0.791 2.193 1.00 0.00 N ATOM 297 CA PHE A 28 9.539 0.256 1.946 1.00 0.00 C ATOM 298 C PHE A 28 10.540 1.382 1.690 1.00 0.00 C ATOM 299 O PHE A 28 11.696 1.309 2.105 1.00 0.00 O ATOM 300 CB PHE A 28 9.513 -0.723 0.760 1.00 0.00 C ATOM 301 CG PHE A 28 9.463 -0.064 -0.594 1.00 0.00 C ATOM 302 CD1 PHE A 28 10.568 0.604 -1.099 1.00 0.00 C ATOM 303 CD2 PHE A 28 8.310 -0.116 -1.362 1.00 0.00 C ATOM 304 CE1 PHE A 28 10.523 1.208 -2.341 1.00 0.00 C ATOM 305 CE2 PHE A 28 8.260 0.486 -2.604 1.00 0.00 C ATOM 306 CZ PHE A 28 9.368 1.149 -3.094 1.00 0.00 C ATOM 0 H PHE A 28 7.495 0.482 1.528 1.00 0.00 H new ATOM 0 HA PHE A 28 9.859 -0.285 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.399 -1.357 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.647 -1.377 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.475 0.653 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.440 -0.633 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.391 1.726 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.355 0.438 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.331 1.621 -4.065 1.00 0.00 H new ATOM 316 N ILE A 29 10.086 2.421 0.996 1.00 0.00 N ATOM 317 CA ILE A 29 10.937 3.562 0.669 1.00 0.00 C ATOM 318 C ILE A 29 11.676 4.089 1.897 1.00 0.00 C ATOM 319 O ILE A 29 12.755 4.670 1.780 1.00 0.00 O ATOM 320 CB ILE A 29 10.110 4.703 0.034 1.00 0.00 C ATOM 321 CG1 ILE A 29 11.038 5.766 -0.572 1.00 0.00 C ATOM 322 CG2 ILE A 29 9.154 5.317 1.055 1.00 0.00 C ATOM 323 CD1 ILE A 29 11.566 6.778 0.427 1.00 0.00 C ATOM 0 H ILE A 29 9.130 2.497 0.648 1.00 0.00 H new ATOM 0 HA ILE A 29 11.676 3.210 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 29 9.506 4.284 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.883 5.266 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.500 6.296 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.584 6.117 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.470 4.551 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.725 5.722 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.212 7.491 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.730 7.308 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.135 6.263 1.201 1.00 0.00 H new ATOM 335 N ALA A 30 11.094 3.884 3.071 1.00 0.00 N ATOM 336 CA ALA A 30 11.704 4.339 4.313 1.00 0.00 C ATOM 337 C ALA A 30 12.892 3.463 4.702 1.00 0.00 C ATOM 338 O ALA A 30 13.736 3.868 5.501 1.00 0.00 O ATOM 339 CB ALA A 30 10.674 4.359 5.432 1.00 0.00 C ATOM 0 H ALA A 30 10.201 3.406 3.189 1.00 0.00 H new ATOM 0 HA ALA A 30 12.073 5.352 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.145 4.701 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.862 5.036 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.277 3.355 5.579 1.00 0.00 H new ATOM 345 N TRP A 31 12.946 2.256 4.146 1.00 0.00 N ATOM 346 CA TRP A 31 14.023 1.321 4.452 1.00 0.00 C ATOM 347 C TRP A 31 15.283 1.605 3.625 1.00 0.00 C ATOM 348 O TRP A 31 16.350 1.868 4.180 1.00 0.00 O ATOM 349 CB TRP A 31 13.548 -0.128 4.227 1.00 0.00 C ATOM 350 CG TRP A 31 14.398 -0.904 3.261 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.681 -1.328 3.458 1.00 0.00 C ATOM 352 CD2 TRP A 31 14.033 -1.327 1.943 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.137 -1.984 2.342 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.142 -1.999 1.399 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.875 -1.205 1.169 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.128 -2.541 0.118 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.862 -1.748 -0.101 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.983 -2.408 -0.615 1.00 0.00 C ATOM 0 H TRP A 31 12.257 1.903 3.482 1.00 0.00 H new ATOM 0 HA TRP A 31 14.287 1.455 5.501 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.536 -0.649 5.184 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.522 -0.111 3.860 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.253 -1.170 4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.065 -2.394 2.232 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.006 -0.695 1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 15.992 -3.049 -0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.972 -1.662 -0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.942 -2.821 -1.612 1.00 0.00 H new ATOM 369 N LEU A 32 15.165 1.507 2.301 1.00 0.00 N ATOM 370 CA LEU A 32 16.311 1.709 1.419 1.00 0.00 C ATOM 371 C LEU A 32 16.910 3.109 1.542 1.00 0.00 C ATOM 372 O LEU A 32 18.059 3.329 1.158 1.00 0.00 O ATOM 373 CB LEU A 32 15.957 1.382 -0.041 1.00 0.00 C ATOM 374 CG LEU A 32 15.149 2.436 -0.797 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.949 2.872 0.017 1.00 0.00 C ATOM 376 CD2 LEU A 32 16.023 3.627 -1.160 1.00 0.00 C ATOM 0 H LEU A 32 14.292 1.290 1.819 1.00 0.00 H new ATOM 0 HA LEU A 32 17.081 1.010 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.884 1.207 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.397 0.447 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 32 14.786 1.991 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.386 3.623 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.310 2.011 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.286 3.297 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.427 4.365 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.422 4.076 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.846 3.295 -1.792 1.00 0.00 H new ATOM 388 N VAL A 33 16.144 4.054 2.075 1.00 0.00 N ATOM 389 CA VAL A 33 16.634 5.419 2.235 1.00 0.00 C ATOM 390 C VAL A 33 17.313 5.607 3.592 1.00 0.00 C ATOM 391 O VAL A 33 18.138 6.504 3.761 1.00 0.00 O ATOM 392 CB VAL A 33 15.497 6.449 2.071 1.00 0.00 C ATOM 393 CG1 VAL A 33 15.952 7.842 2.489 1.00 0.00 C ATOM 394 CG2 VAL A 33 15.004 6.459 0.633 1.00 0.00 C ATOM 0 H VAL A 33 15.189 3.903 2.401 1.00 0.00 H new ATOM 0 HA VAL A 33 17.370 5.589 1.449 1.00 0.00 H new ATOM 0 HB VAL A 33 14.675 6.156 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.130 8.546 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.259 7.826 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.793 8.151 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.202 7.189 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.826 6.725 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.630 5.469 0.370 1.00 0.00 H new ATOM 404 N ARG A 34 16.966 4.757 4.554 1.00 0.00 N ATOM 405 CA ARG A 34 17.551 4.838 5.888 1.00 0.00 C ATOM 406 C ARG A 34 18.499 3.669 6.137 1.00 0.00 C ATOM 407 O ARG A 34 18.201 2.770 6.924 1.00 0.00 O ATOM 408 CB ARG A 34 16.452 4.857 6.953 1.00 0.00 C ATOM 409 CG ARG A 34 15.987 6.255 7.324 1.00 0.00 C ATOM 410 CD ARG A 34 15.360 6.968 6.137 1.00 0.00 C ATOM 411 NE ARG A 34 15.126 8.384 6.409 1.00 0.00 N ATOM 412 CZ ARG A 34 16.097 9.288 6.521 1.00 0.00 C ATOM 413 NH1 ARG A 34 17.367 8.928 6.385 1.00 0.00 N ATOM 414 NH2 ARG A 34 15.796 10.556 6.769 1.00 0.00 N ATOM 0 H ARG A 34 16.285 4.007 4.435 1.00 0.00 H new ATOM 0 HA ARG A 34 18.121 5.765 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.598 4.283 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 34 16.817 4.355 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.264 6.195 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 34 16.833 6.835 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.012 6.869 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.415 6.487 5.883 1.00 0.00 H new ATOM 0 HE ARG A 34 14.162 8.699 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.603 7.954 6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.107 9.625 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.821 10.838 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.539 11.249 6.855 1.00 0.00 H new ATOM 428 N GLY A 35 19.644 3.689 5.462 1.00 0.00 N ATOM 429 CA GLY A 35 20.619 2.626 5.624 1.00 0.00 C ATOM 430 C GLY A 35 20.311 1.419 4.760 1.00 0.00 C ATOM 431 O GLY A 35 19.541 0.544 5.156 1.00 0.00 O ATOM 0 H GLY A 35 19.914 4.422 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.610 3.005 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.649 2.322 6.670 1.00 0.00 H new ATOM 435 N ARG A 36 20.916 1.371 3.577 1.00 0.00 N ATOM 436 CA ARG A 36 20.703 0.261 2.655 1.00 0.00 C ATOM 437 C ARG A 36 22.033 -0.282 2.141 1.00 0.00 C ATOM 438 O ARG A 36 22.139 -0.709 0.992 1.00 0.00 O ATOM 439 CB ARG A 36 19.833 0.707 1.478 1.00 0.00 C ATOM 440 CG ARG A 36 19.197 -0.447 0.720 1.00 0.00 C ATOM 441 CD ARG A 36 19.166 -0.184 -0.777 1.00 0.00 C ATOM 442 NE ARG A 36 18.296 -1.123 -1.480 1.00 0.00 N ATOM 443 CZ ARG A 36 18.360 -1.356 -2.789 1.00 0.00 C ATOM 444 NH1 ARG A 36 19.251 -0.721 -3.541 1.00 0.00 N ATOM 445 NH2 ARG A 36 17.530 -2.226 -3.348 1.00 0.00 N ATOM 0 H ARG A 36 21.557 2.087 3.235 1.00 0.00 H new ATOM 0 HA ARG A 36 20.190 -0.534 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.047 1.366 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 36 20.441 1.292 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 36 19.753 -1.363 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 36 18.182 -0.606 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.822 0.834 -0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.177 -0.256 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 36 17.598 -1.630 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 36 19.891 -0.050 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.295 -0.904 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.843 -2.716 -2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.578 -2.405 -4.351 1.00 0.00 H new ATOM 459 N GLY A 37 23.046 -0.262 3.002 1.00 0.00 N ATOM 460 CA GLY A 37 24.356 -0.756 2.617 1.00 0.00 C ATOM 461 C GLY A 37 25.395 -0.549 3.702 1.00 0.00 C ATOM 462 O GLY A 37 25.404 0.539 4.316 1.00 0.00 O ATOM 463 OXT GLY A 37 26.200 -1.475 3.937 1.00 0.00 O ATOM 0 H GLY A 37 22.983 0.087 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.286 -1.818 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 37 24.679 -0.250 1.707 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 8.033 -2.693 -4.380 1.00 0.00 O HETATM 469 C02 D6M A1038 8.781 -1.733 -4.570 1.00 0.00 C HETATM 470 N03 D6M A1038 8.337 -0.650 -5.202 1.00 0.00 N HETATM 471 C04 D6M A1038 6.965 -0.555 -5.688 1.00 0.00 C HETATM 472 C05 D6M A1038 6.509 0.906 -5.703 1.00 0.00 C HETATM 473 C06 D6M A1038 5.130 1.121 -5.100 1.00 0.00 C HETATM 474 C07 D6M A1038 4.888 2.563 -4.698 1.00 0.00 C HETATM 475 O08 D6M A1038 4.042 3.206 -5.320 1.00 0.00 O HETATM 476 C09 D6M A1038 6.840 -1.156 -7.085 1.00 0.00 C HETATM 477 O10 D6M A1038 7.847 -1.150 -7.823 1.00 0.00 O HETATM 478 O11 D6M A1038 5.736 -1.629 -7.428 1.00 0.00 O HETATM 479 C12 D6M A1038 10.199 -1.813 -4.039 1.00 0.00 C HETATM 480 C13 D6M A1038 11.170 -0.957 -4.836 1.00 0.00 C HETATM 481 C14 D6M A1038 12.584 -1.510 -4.770 1.00 0.00 C HETATM 482 C15 D6M A1038 13.200 -1.303 -3.396 1.00 0.00 C HETATM 483 C16 D6M A1038 13.619 0.142 -3.183 1.00 0.00 C HETATM 484 C17 D6M A1038 14.984 0.423 -3.795 1.00 0.00 C HETATM 485 C18 D6M A1038 14.894 1.448 -4.914 1.00 0.00 C HETATM 486 C19 D6M A1038 15.246 2.843 -4.422 1.00 0.00 C HETATM 487 C20 D6M A1038 14.008 3.609 -3.984 1.00 0.00 C HETATM 488 C21 D6M A1038 14.080 5.069 -4.401 1.00 0.00 C HETATM 489 C22 D6M A1038 12.983 5.890 -3.745 1.00 0.00 C HETATM 490 C23 D6M A1038 13.449 7.306 -3.439 1.00 0.00 C HETATM 491 C24 D6M A1038 13.152 7.691 -1.999 1.00 0.00 C HETATM 492 C25 D6M A1038 13.651 9.092 -1.682 1.00 0.00 C HETATM 493 C26 D6M A1038 12.574 10.132 -1.905 1.00 0.00 C HETATM 0 H263 D6M A1038 12.256 10.108 -2.947 1.00 0.00 H new HETATM 0 H262 D6M A1038 11.722 9.917 -1.260 1.00 0.00 H new HETATM 0 H261 D6M A1038 12.968 11.120 -1.668 1.00 0.00 H new HETATM 0 H252 D6M A1038 13.988 9.133 -0.646 1.00 0.00 H new HETATM 0 H251 D6M A1038 14.514 9.321 -2.307 1.00 0.00 H new HETATM 0 H242 D6M A1038 12.078 7.637 -1.821 1.00 0.00 H new HETATM 0 H241 D6M A1038 13.623 6.975 -1.325 1.00 0.00 H new HETATM 0 H232 D6M A1038 14.520 7.386 -3.625 1.00 0.00 H new HETATM 0 H231 D6M A1038 12.956 8.006 -4.113 1.00 0.00 H new HETATM 0 H222 D6M A1038 12.113 5.926 -4.401 1.00 0.00 H new HETATM 0 H221 D6M A1038 12.666 5.403 -2.823 1.00 0.00 H new HETATM 0 H212 D6M A1038 15.053 5.478 -4.130 1.00 0.00 H new HETATM 0 H211 D6M A1038 13.993 5.144 -5.485 1.00 0.00 H new HETATM 0 H202 D6M A1038 13.121 3.149 -4.419 1.00 0.00 H new HETATM 0 H201 D6M A1038 13.902 3.544 -2.901 1.00 0.00 H new HETATM 0 H192 D6M A1038 15.944 2.770 -3.588 1.00 0.00 H new HETATM 0 H191 D6M A1038 15.753 3.392 -5.215 1.00 0.00 H new HETATM 0 H182 D6M A1038 15.568 1.165 -5.723 1.00 0.00 H new HETATM 0 H181 D6M A1038 13.885 1.450 -5.326 1.00 0.00 H new HETATM 0 H172 D6M A1038 15.662 0.785 -3.023 1.00 0.00 H new HETATM 0 H171 D6M A1038 15.408 -0.504 -4.182 1.00 0.00 H new HETATM 0 H162 D6M A1038 12.877 0.806 -3.626 1.00 0.00 H new HETATM 0 H161 D6M A1038 13.646 0.361 -2.115 1.00 0.00 H new HETATM 0 H152 D6M A1038 12.483 -1.591 -2.628 1.00 0.00 H new HETATM 0 H151 D6M A1038 14.067 -1.954 -3.283 1.00 0.00 H new HETATM 0 H142 D6M A1038 12.571 -2.574 -5.007 1.00 0.00 H new HETATM 0 H141 D6M A1038 13.202 -1.022 -5.524 1.00 0.00 H new HETATM 0 H132 D6M A1038 10.845 -0.909 -5.875 1.00 0.00 H new HETATM 0 H131 D6M A1038 11.159 0.063 -4.451 1.00 0.00 H new HETATM 0 H122 D6M A1038 10.211 -1.495 -2.996 1.00 0.00 H new HETATM 0 H121 D6M A1038 10.533 -2.850 -4.060 1.00 0.00 H new HETATM 0 H062 D6M A1038 4.371 0.816 -5.820 1.00 0.00 H new HETATM 0 H061 D6M A1038 5.016 0.480 -4.226 1.00 0.00 H new HETATM 0 H052 D6M A1038 7.233 1.509 -5.156 1.00 0.00 H new HETATM 0 H051 D6M A1038 6.506 1.266 -6.732 1.00 0.00 H new HETATM 0 H11 D6M A1038 5.723 -1.757 -8.400 1.00 0.00 H new HETATM 0 H04 D6M A1038 6.324 -1.121 -5.012 1.00 0.00 H new HETATM 0 H03 D6M A1038 8.972 0.134 -5.351 1.00 0.00 H new