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= -0.269 X(o=-0.27,f=-0.55) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.48) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.0384 (180deg=-0.0384) USER MOD Single : A1038 D6M O11 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -31.369 1.594 0.122 1.00 0.00 N ATOM 2 CA HIS A 7 -30.360 1.390 1.194 1.00 0.00 C ATOM 3 C HIS A 7 -29.227 0.486 0.719 1.00 0.00 C ATOM 4 O HIS A 7 -29.457 -0.652 0.310 1.00 0.00 O ATOM 5 CB HIS A 7 -31.057 0.774 2.409 1.00 0.00 C ATOM 6 CG HIS A 7 -31.239 1.733 3.544 1.00 0.00 C ATOM 7 ND1 HIS A 7 -30.322 2.715 3.854 1.00 0.00 N ATOM 8 CD2 HIS A 7 -32.241 1.858 4.447 1.00 0.00 C ATOM 9 CE1 HIS A 7 -30.751 3.401 4.899 1.00 0.00 C ATOM 10 NE2 HIS A 7 -31.913 2.902 5.276 1.00 0.00 N ATOM 0 HA HIS A 7 -29.921 2.351 1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -32.032 0.395 2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -30.477 -0.081 2.756 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -33.132 1.250 4.504 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -30.238 4.229 5.365 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -32.476 3.238 6.057 1.00 0.00 H new ATOM 21 N ALA A 8 -28.003 1.000 0.776 1.00 0.00 N ATOM 22 CA ALA A 8 -26.833 0.240 0.352 1.00 0.00 C ATOM 23 C ALA A 8 -25.751 0.253 1.426 1.00 0.00 C ATOM 24 O ALA A 8 -25.524 1.271 2.080 1.00 0.00 O ATOM 25 CB ALA A 8 -26.289 0.795 -0.956 1.00 0.00 C ATOM 0 H ALA A 8 -27.795 1.940 1.112 1.00 0.00 H new ATOM 0 HA ALA A 8 -27.139 -0.794 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -25.416 0.218 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -27.056 0.727 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -26.005 1.838 -0.818 1.00 0.00 H new ATOM 31 N GLU A 9 -25.086 -0.884 1.602 1.00 0.00 N ATOM 32 CA GLU A 9 -24.027 -1.003 2.597 1.00 0.00 C ATOM 33 C GLU A 9 -22.662 -0.731 1.974 1.00 0.00 C ATOM 34 O GLU A 9 -22.239 -1.429 1.053 1.00 0.00 O ATOM 35 CB GLU A 9 -24.045 -2.396 3.227 1.00 0.00 C ATOM 36 CG GLU A 9 -25.183 -2.604 4.213 1.00 0.00 C ATOM 37 CD GLU A 9 -25.075 -3.919 4.960 1.00 0.00 C ATOM 38 OE1 GLU A 9 -23.954 -4.463 5.044 1.00 0.00 O ATOM 39 OE2 GLU A 9 -26.111 -4.404 5.461 1.00 0.00 O ATOM 0 H GLU A 9 -25.262 -1.736 1.069 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.206 -0.259 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.120 -3.142 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.097 -2.567 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -25.192 -1.783 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.132 -2.571 3.678 1.00 0.00 H new ATOM 46 N GLY A 10 -21.977 0.290 2.481 1.00 0.00 N ATOM 47 CA GLY A 10 -20.668 0.636 1.961 1.00 0.00 C ATOM 48 C GLY A 10 -19.636 0.814 3.058 1.00 0.00 C ATOM 49 O GLY A 10 -19.946 0.672 4.241 1.00 0.00 O ATOM 0 H GLY A 10 -22.306 0.883 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.335 -0.144 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.742 1.557 1.383 1.00 0.00 H new ATOM 53 N THR A 11 -18.406 1.126 2.664 1.00 0.00 N ATOM 54 CA THR A 11 -17.324 1.324 3.622 1.00 0.00 C ATOM 55 C THR A 11 -16.269 2.273 3.061 1.00 0.00 C ATOM 56 O THR A 11 -16.249 2.557 1.863 1.00 0.00 O ATOM 57 CB THR A 11 -16.682 -0.018 3.981 1.00 0.00 C ATOM 58 OG1 THR A 11 -15.742 0.140 5.029 1.00 0.00 O ATOM 59 CG2 THR A 11 -15.969 -0.672 2.817 1.00 0.00 C ATOM 0 H THR A 11 -18.133 1.247 1.689 1.00 0.00 H new ATOM 0 HA THR A 11 -17.745 1.770 4.523 1.00 0.00 H new ATOM 0 HB THR A 11 -17.508 -0.661 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.344 -0.729 5.245 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.537 -1.619 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.680 -0.854 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.176 -0.015 2.460 1.00 0.00 H new ATOM 67 N PHE A 12 -15.393 2.760 3.934 1.00 0.00 N ATOM 68 CA PHE A 12 -14.335 3.676 3.524 1.00 0.00 C ATOM 69 C PHE A 12 -12.967 3.008 3.623 1.00 0.00 C ATOM 70 O PHE A 12 -12.118 3.178 2.748 1.00 0.00 O ATOM 71 CB PHE A 12 -14.367 4.942 4.385 1.00 0.00 C ATOM 72 CG PHE A 12 -13.949 4.714 5.811 1.00 0.00 C ATOM 73 CD1 PHE A 12 -12.607 4.690 6.157 1.00 0.00 C ATOM 74 CD2 PHE A 12 -14.897 4.523 6.804 1.00 0.00 C ATOM 75 CE1 PHE A 12 -12.219 4.480 7.466 1.00 0.00 C ATOM 76 CE2 PHE A 12 -14.514 4.312 8.115 1.00 0.00 C ATOM 77 CZ PHE A 12 -13.173 4.291 8.446 1.00 0.00 C ATOM 0 H PHE A 12 -15.395 2.536 4.929 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.507 3.950 2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -13.712 5.691 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.376 5.354 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.856 4.837 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.947 4.539 6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.170 4.464 7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.262 4.164 8.880 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.871 4.127 9.470 1.00 0.00 H new ATOM 87 N THR A 13 -12.760 2.249 4.695 1.00 0.00 N ATOM 88 CA THR A 13 -11.495 1.556 4.909 1.00 0.00 C ATOM 89 C THR A 13 -11.191 0.608 3.754 1.00 0.00 C ATOM 90 O THR A 13 -10.048 0.501 3.310 1.00 0.00 O ATOM 91 CB THR A 13 -11.532 0.779 6.226 1.00 0.00 C ATOM 92 OG1 THR A 13 -10.277 0.177 6.489 1.00 0.00 O ATOM 93 CG2 THR A 13 -12.578 -0.314 6.248 1.00 0.00 C ATOM 0 H THR A 13 -13.452 2.099 5.429 1.00 0.00 H new ATOM 0 HA THR A 13 -10.704 2.304 4.958 1.00 0.00 H new ATOM 0 HB THR A 13 -11.784 1.516 6.988 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.321 -0.314 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.550 -0.825 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.565 0.124 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.374 -1.029 5.451 1.00 0.00 H new ATOM 101 N SER A 14 -12.222 -0.078 3.271 1.00 0.00 N ATOM 102 CA SER A 14 -12.064 -1.017 2.167 1.00 0.00 C ATOM 103 C SER A 14 -11.937 -0.277 0.839 1.00 0.00 C ATOM 104 O SER A 14 -11.269 -0.744 -0.083 1.00 0.00 O ATOM 105 CB SER A 14 -13.251 -1.981 2.115 1.00 0.00 C ATOM 106 OG SER A 14 -12.870 -3.229 1.564 1.00 0.00 O ATOM 0 H SER A 14 -13.175 -0.001 3.627 1.00 0.00 H new ATOM 0 HA SER A 14 -11.150 -1.587 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.647 -2.129 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.052 -1.545 1.517 1.00 0.00 H new ATOM 0 HG SER A 14 -13.646 -3.828 1.543 1.00 0.00 H new ATOM 112 N ASP A 15 -12.583 0.882 0.749 1.00 0.00 N ATOM 113 CA ASP A 15 -12.543 1.689 -0.465 1.00 0.00 C ATOM 114 C ASP A 15 -11.139 2.231 -0.711 1.00 0.00 C ATOM 115 O ASP A 15 -10.639 2.202 -1.835 1.00 0.00 O ATOM 116 CB ASP A 15 -13.539 2.845 -0.367 1.00 0.00 C ATOM 117 CG ASP A 15 -14.184 3.167 -1.701 1.00 0.00 C ATOM 118 OD1 ASP A 15 -13.443 3.398 -2.679 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.431 3.188 -1.767 1.00 0.00 O ATOM 0 H ASP A 15 -13.141 1.283 1.503 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.819 1.052 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.314 2.593 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.027 3.731 0.009 1.00 0.00 H new ATOM 124 N VAL A 16 -10.508 2.727 0.348 1.00 0.00 N ATOM 125 CA VAL A 16 -9.161 3.277 0.247 1.00 0.00 C ATOM 126 C VAL A 16 -8.131 2.170 0.041 1.00 0.00 C ATOM 127 O VAL A 16 -7.251 2.279 -0.811 1.00 0.00 O ATOM 128 CB VAL A 16 -8.791 4.091 1.504 1.00 0.00 C ATOM 129 CG1 VAL A 16 -8.798 3.205 2.742 1.00 0.00 C ATOM 130 CG2 VAL A 16 -7.438 4.765 1.328 1.00 0.00 C ATOM 0 H VAL A 16 -10.908 2.759 1.286 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.151 3.941 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.543 4.868 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.534 3.800 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.792 2.779 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.073 2.401 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.195 5.334 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.673 4.007 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.475 5.438 0.471 1.00 0.00 H new ATOM 140 N SER A 17 -8.248 1.103 0.824 1.00 0.00 N ATOM 141 CA SER A 17 -7.326 -0.024 0.725 1.00 0.00 C ATOM 142 C SER A 17 -7.311 -0.608 -0.688 1.00 0.00 C ATOM 143 O SER A 17 -6.368 -1.299 -1.072 1.00 0.00 O ATOM 144 CB SER A 17 -7.709 -1.110 1.732 1.00 0.00 C ATOM 145 OG SER A 17 -6.557 -1.710 2.300 1.00 0.00 O ATOM 0 H SER A 17 -8.972 0.994 1.534 1.00 0.00 H new ATOM 0 HA SER A 17 -6.325 0.343 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.324 -0.678 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.313 -1.871 1.238 1.00 0.00 H new ATOM 0 HG SER A 17 -6.830 -2.399 2.941 1.00 0.00 H new ATOM 151 N SER A 18 -8.363 -0.333 -1.453 1.00 0.00 N ATOM 152 CA SER A 18 -8.475 -0.838 -2.817 1.00 0.00 C ATOM 153 C SER A 18 -7.253 -0.474 -3.660 1.00 0.00 C ATOM 154 O SER A 18 -6.913 -1.184 -4.606 1.00 0.00 O ATOM 155 CB SER A 18 -9.741 -0.291 -3.479 1.00 0.00 C ATOM 156 OG SER A 18 -10.371 -1.281 -4.274 1.00 0.00 O ATOM 0 H SER A 18 -9.152 0.238 -1.150 1.00 0.00 H new ATOM 0 HA SER A 18 -8.531 -1.925 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.433 0.059 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.488 0.570 -4.098 1.00 0.00 H new ATOM 0 HG SER A 18 -11.178 -0.906 -4.684 1.00 0.00 H new ATOM 162 N TYR A 19 -6.597 0.635 -3.324 1.00 0.00 N ATOM 163 CA TYR A 19 -5.422 1.072 -4.073 1.00 0.00 C ATOM 164 C TYR A 19 -4.212 0.192 -3.763 1.00 0.00 C ATOM 165 O TYR A 19 -3.481 -0.211 -4.668 1.00 0.00 O ATOM 166 CB TYR A 19 -5.118 2.555 -3.794 1.00 0.00 C ATOM 167 CG TYR A 19 -4.183 2.816 -2.627 1.00 0.00 C ATOM 168 CD1 TYR A 19 -2.833 2.491 -2.702 1.00 0.00 C ATOM 169 CD2 TYR A 19 -4.650 3.399 -1.456 1.00 0.00 C ATOM 170 CE1 TYR A 19 -1.979 2.736 -1.644 1.00 0.00 C ATOM 171 CE2 TYR A 19 -3.802 3.647 -0.393 1.00 0.00 C ATOM 172 CZ TYR A 19 -2.468 3.314 -0.492 1.00 0.00 C ATOM 173 OH TYR A 19 -1.620 3.560 0.563 1.00 0.00 O ATOM 0 H TYR A 19 -6.856 1.242 -2.546 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.641 0.967 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.684 2.995 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.059 3.073 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.445 2.039 -3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.694 3.663 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.933 2.476 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.183 4.099 0.511 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.122 3.971 1.297 1.00 0.00 H new ATOM 183 N LEU A 20 -4.005 -0.103 -2.484 1.00 0.00 N ATOM 184 CA LEU A 20 -2.882 -0.936 -2.067 1.00 0.00 C ATOM 185 C LEU A 20 -3.252 -2.415 -2.120 1.00 0.00 C ATOM 186 O LEU A 20 -4.173 -2.860 -1.435 1.00 0.00 O ATOM 187 CB LEU A 20 -2.434 -0.562 -0.653 1.00 0.00 C ATOM 188 CG LEU A 20 -3.539 -0.587 0.407 1.00 0.00 C ATOM 189 CD1 LEU A 20 -3.096 -1.379 1.627 1.00 0.00 C ATOM 190 CD2 LEU A 20 -3.929 0.829 0.802 1.00 0.00 C ATOM 0 H LEU A 20 -4.598 0.221 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.058 -0.759 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.643 -1.246 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.999 0.437 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.413 -1.079 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.896 -1.384 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.868 -2.403 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.207 -0.918 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.715 0.793 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.060 1.346 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.292 1.365 -0.075 1.00 0.00 H new ATOM 202 N GLU A 21 -2.529 -3.172 -2.939 1.00 0.00 N ATOM 203 CA GLU A 21 -2.781 -4.601 -3.082 1.00 0.00 C ATOM 204 C GLU A 21 -1.731 -5.252 -3.978 1.00 0.00 C ATOM 205 O GLU A 21 -1.571 -4.874 -5.139 1.00 0.00 O ATOM 206 CB GLU A 21 -4.178 -4.839 -3.658 1.00 0.00 C ATOM 207 CG GLU A 21 -4.396 -4.186 -5.013 1.00 0.00 C ATOM 208 CD GLU A 21 -4.251 -5.164 -6.162 1.00 0.00 C ATOM 209 OE1 GLU A 21 -4.739 -6.307 -6.034 1.00 0.00 O ATOM 210 OE2 GLU A 21 -3.648 -4.788 -7.189 1.00 0.00 O ATOM 0 H GLU A 21 -1.764 -2.819 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.721 -5.056 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.346 -5.912 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.921 -4.459 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.391 -3.742 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.681 -3.374 -5.140 1.00 0.00 H new ATOM 217 N GLY A 22 -1.019 -6.232 -3.431 1.00 0.00 N ATOM 218 CA GLY A 22 0.005 -6.920 -4.194 1.00 0.00 C ATOM 219 C GLY A 22 1.400 -6.659 -3.661 1.00 0.00 C ATOM 220 O GLY A 22 1.573 -5.925 -2.688 1.00 0.00 O ATOM 0 H GLY A 22 -1.133 -6.562 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.192 -7.992 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.048 -6.603 -5.235 1.00 0.00 H new ATOM 224 N GLN A 23 2.398 -7.262 -4.299 1.00 0.00 N ATOM 225 CA GLN A 23 3.785 -7.092 -3.885 1.00 0.00 C ATOM 226 C GLN A 23 4.364 -5.789 -4.430 1.00 0.00 C ATOM 227 O GLN A 23 5.321 -5.247 -3.878 1.00 0.00 O ATOM 228 CB GLN A 23 4.630 -8.276 -4.359 1.00 0.00 C ATOM 229 CG GLN A 23 5.925 -8.450 -3.582 1.00 0.00 C ATOM 230 CD GLN A 23 7.129 -7.907 -4.327 1.00 0.00 C ATOM 231 OE1 GLN A 23 7.740 -8.604 -5.136 1.00 0.00 O ATOM 232 NE2 GLN A 23 7.477 -6.654 -4.055 1.00 0.00 N ATOM 0 H GLN A 23 2.271 -7.873 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 23 3.808 -7.050 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.040 -9.189 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.865 -8.144 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.838 -7.944 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.079 -9.508 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.942 -6.112 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.279 -6.234 -4.524 1.00 0.00 H new ATOM 241 N ALA A 24 3.780 -5.291 -5.516 1.00 0.00 N ATOM 242 CA ALA A 24 4.241 -4.052 -6.135 1.00 0.00 C ATOM 243 C ALA A 24 4.312 -2.917 -5.119 1.00 0.00 C ATOM 244 O ALA A 24 5.241 -2.110 -5.141 1.00 0.00 O ATOM 245 CB ALA A 24 3.330 -3.669 -7.290 1.00 0.00 C ATOM 0 H ALA A 24 2.986 -5.727 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 24 5.247 -4.223 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.686 -2.743 -7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.336 -4.463 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.315 -3.526 -6.920 1.00 0.00 H new ATOM 251 N ALA A 25 3.328 -2.859 -4.228 1.00 0.00 N ATOM 252 CA ALA A 25 3.287 -1.820 -3.207 1.00 0.00 C ATOM 253 C ALA A 25 4.188 -2.164 -2.027 1.00 0.00 C ATOM 254 O ALA A 25 4.567 -1.290 -1.259 1.00 0.00 O ATOM 255 CB ALA A 25 1.863 -1.594 -2.727 1.00 0.00 C ATOM 0 H ALA A 25 2.550 -3.518 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 25 3.657 -0.900 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.855 -0.814 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.240 -1.287 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.471 -2.519 -2.304 1.00 0.00 H new ATOM 261 N LYS A 26 4.523 -3.439 -1.883 1.00 0.00 N ATOM 262 CA LYS A 26 5.378 -3.882 -0.788 1.00 0.00 C ATOM 263 C LYS A 26 6.803 -3.349 -0.944 1.00 0.00 C ATOM 264 O LYS A 26 7.573 -3.323 0.014 1.00 0.00 O ATOM 265 CB LYS A 26 5.395 -5.412 -0.716 1.00 0.00 C ATOM 266 CG LYS A 26 4.801 -5.966 0.569 1.00 0.00 C ATOM 267 CD LYS A 26 3.281 -5.966 0.528 1.00 0.00 C ATOM 268 CE LYS A 26 2.687 -5.440 1.825 1.00 0.00 C ATOM 269 NZ LYS A 26 3.011 -4.033 2.044 1.00 0.00 N ATOM 0 H LYS A 26 4.217 -4.184 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 26 4.968 -3.483 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.842 -5.814 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.423 -5.761 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.161 -6.982 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.143 -5.370 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.939 -5.352 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.921 -6.979 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.604 -5.564 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.060 -6.032 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.587 -3.714 2.939 1.00 0.00 H new ATOM 281 N GLU A 27 7.153 -2.945 -2.161 1.00 0.00 N ATOM 282 CA GLU A 27 8.491 -2.437 -2.449 1.00 0.00 C ATOM 283 C GLU A 27 8.795 -1.126 -1.716 1.00 0.00 C ATOM 284 O GLU A 27 9.859 -0.981 -1.116 1.00 0.00 O ATOM 285 CB GLU A 27 8.666 -2.246 -3.959 1.00 0.00 C ATOM 286 CG GLU A 27 7.978 -1.004 -4.506 1.00 0.00 C ATOM 287 CD GLU A 27 8.013 -0.937 -6.020 1.00 0.00 C ATOM 288 OE1 GLU A 27 7.126 -1.537 -6.662 1.00 0.00 O ATOM 289 OE2 GLU A 27 8.928 -0.285 -6.564 1.00 0.00 O ATOM 0 H GLU A 27 6.527 -2.959 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 27 9.201 -3.180 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.730 -2.190 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.275 -3.123 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.941 -0.989 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.459 -0.116 -4.096 1.00 0.00 H new ATOM 296 N PHE A 28 7.877 -0.162 -1.788 1.00 0.00 N ATOM 297 CA PHE A 28 8.091 1.136 -1.148 1.00 0.00 C ATOM 298 C PHE A 28 8.336 1.009 0.352 1.00 0.00 C ATOM 299 O PHE A 28 8.887 1.916 0.975 1.00 0.00 O ATOM 300 CB PHE A 28 6.931 2.100 -1.434 1.00 0.00 C ATOM 301 CG PHE A 28 5.720 1.953 -0.561 1.00 0.00 C ATOM 302 CD1 PHE A 28 5.384 0.748 0.023 1.00 0.00 C ATOM 303 CD2 PHE A 28 4.920 3.052 -0.320 1.00 0.00 C ATOM 304 CE1 PHE A 28 4.270 0.642 0.830 1.00 0.00 C ATOM 305 CE2 PHE A 28 3.808 2.956 0.481 1.00 0.00 C ATOM 306 CZ PHE A 28 3.478 1.748 1.060 1.00 0.00 C ATOM 0 H PHE A 28 6.987 -0.253 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 28 8.996 1.554 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.301 3.121 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.624 1.969 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.000 -0.121 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.172 4.002 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.018 -0.306 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.192 3.826 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.604 1.669 1.690 1.00 0.00 H new ATOM 316 N ILE A 29 7.942 -0.114 0.932 1.00 0.00 N ATOM 317 CA ILE A 29 8.143 -0.330 2.353 1.00 0.00 C ATOM 318 C ILE A 29 9.634 -0.321 2.692 1.00 0.00 C ATOM 319 O ILE A 29 10.021 -0.118 3.842 1.00 0.00 O ATOM 320 CB ILE A 29 7.494 -1.652 2.813 1.00 0.00 C ATOM 321 CG1 ILE A 29 7.132 -1.579 4.298 1.00 0.00 C ATOM 322 CG2 ILE A 29 8.409 -2.840 2.541 1.00 0.00 C ATOM 323 CD1 ILE A 29 6.268 -2.729 4.767 1.00 0.00 C ATOM 0 H ILE A 29 7.485 -0.884 0.444 1.00 0.00 H new ATOM 0 HA ILE A 29 7.659 0.487 2.888 1.00 0.00 H new ATOM 0 HB ILE A 29 6.580 -1.798 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.049 -1.561 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.611 -0.641 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.924 -3.757 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.611 -2.906 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.347 -2.708 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.051 -2.612 5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.334 -2.736 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.795 -3.669 4.606 1.00 0.00 H new ATOM 335 N ALA A 30 10.464 -0.536 1.673 1.00 0.00 N ATOM 336 CA ALA A 30 11.909 -0.547 1.847 1.00 0.00 C ATOM 337 C ALA A 30 12.470 0.873 1.858 1.00 0.00 C ATOM 338 O ALA A 30 13.353 1.192 2.654 1.00 0.00 O ATOM 339 CB ALA A 30 12.563 -1.365 0.744 1.00 0.00 C ATOM 0 H ALA A 30 10.155 -0.705 0.716 1.00 0.00 H new ATOM 0 HA ALA A 30 12.134 -1.006 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.644 -1.366 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.191 -2.389 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.323 -0.927 -0.225 1.00 0.00 H new ATOM 345 N TRP A 31 11.954 1.723 0.972 1.00 0.00 N ATOM 346 CA TRP A 31 12.413 3.106 0.892 1.00 0.00 C ATOM 347 C TRP A 31 12.013 3.891 2.141 1.00 0.00 C ATOM 348 O TRP A 31 12.864 4.415 2.860 1.00 0.00 O ATOM 349 CB TRP A 31 11.837 3.819 -0.347 1.00 0.00 C ATOM 350 CG TRP A 31 11.245 5.156 0.000 1.00 0.00 C ATOM 351 CD1 TRP A 31 11.921 6.313 0.260 1.00 0.00 C ATOM 352 CD2 TRP A 31 9.859 5.449 0.190 1.00 0.00 C ATOM 353 NE1 TRP A 31 11.036 7.305 0.612 1.00 0.00 N ATOM 354 CE2 TRP A 31 9.764 6.797 0.573 1.00 0.00 C ATOM 355 CE3 TRP A 31 8.691 4.698 0.073 1.00 0.00 C ATOM 356 CZ2 TRP A 31 8.543 7.405 0.849 1.00 0.00 C ATOM 357 CZ3 TRP A 31 7.481 5.304 0.341 1.00 0.00 C ATOM 358 CH2 TRP A 31 7.415 6.645 0.728 1.00 0.00 C ATOM 0 H TRP A 31 11.223 1.479 0.304 1.00 0.00 H new ATOM 0 HA TRP A 31 13.500 3.073 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.625 3.952 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.072 3.191 -0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 31 12.993 6.432 0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 31 11.286 8.262 0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.732 3.660 -0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 8.489 8.441 1.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.569 4.732 0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.453 7.089 0.936 1.00 0.00 H new ATOM 369 N LEU A 32 10.703 4.004 2.364 1.00 0.00 N ATOM 370 CA LEU A 32 10.180 4.765 3.489 1.00 0.00 C ATOM 371 C LEU A 32 10.854 4.338 4.796 1.00 0.00 C ATOM 372 O LEU A 32 10.987 5.137 5.723 1.00 0.00 O ATOM 373 CB LEU A 32 8.629 4.659 3.545 1.00 0.00 C ATOM 374 CG LEU A 32 8.033 3.775 4.640 1.00 0.00 C ATOM 375 CD1 LEU A 32 8.392 2.324 4.382 1.00 0.00 C ATOM 376 CD2 LEU A 32 8.468 4.238 6.020 1.00 0.00 C ATOM 0 H LEU A 32 9.987 3.576 1.777 1.00 0.00 H new ATOM 0 HA LEU A 32 10.419 5.819 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.225 5.664 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.280 4.287 2.582 1.00 0.00 H new ATOM 0 HG LEU A 32 6.947 3.862 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.965 1.699 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.994 2.017 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.476 2.212 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.028 3.589 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.555 4.195 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.134 5.263 6.182 1.00 0.00 H new ATOM 388 N VAL A 33 11.295 3.085 4.861 1.00 0.00 N ATOM 389 CA VAL A 33 11.965 2.576 6.055 1.00 0.00 C ATOM 390 C VAL A 33 13.473 2.808 5.977 1.00 0.00 C ATOM 391 O VAL A 33 14.116 3.108 6.983 1.00 0.00 O ATOM 392 CB VAL A 33 11.683 1.069 6.267 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.683 0.453 7.239 1.00 0.00 C ATOM 394 CG2 VAL A 33 10.260 0.857 6.763 1.00 0.00 C ATOM 0 H VAL A 33 11.202 2.406 4.106 1.00 0.00 H new ATOM 0 HA VAL A 33 11.563 3.126 6.905 1.00 0.00 H new ATOM 0 HB VAL A 33 11.796 0.568 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.460 -0.606 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.692 0.565 6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.613 0.959 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.080 -0.208 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.123 1.379 7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.556 1.248 6.028 1.00 0.00 H new ATOM 404 N ARG A 34 14.033 2.663 4.781 1.00 0.00 N ATOM 405 CA ARG A 34 15.466 2.852 4.581 1.00 0.00 C ATOM 406 C ARG A 34 15.769 4.249 4.049 1.00 0.00 C ATOM 407 O ARG A 34 15.335 4.616 2.957 1.00 0.00 O ATOM 408 CB ARG A 34 16.011 1.798 3.617 1.00 0.00 C ATOM 409 CG ARG A 34 17.523 1.649 3.672 1.00 0.00 C ATOM 410 CD ARG A 34 18.210 2.575 2.681 1.00 0.00 C ATOM 411 NE ARG A 34 18.537 1.895 1.431 1.00 0.00 N ATOM 412 CZ ARG A 34 19.583 1.085 1.279 1.00 0.00 C ATOM 413 NH1 ARG A 34 20.404 0.852 2.295 1.00 0.00 N ATOM 414 NH2 ARG A 34 19.809 0.508 0.107 1.00 0.00 N ATOM 0 H ARG A 34 13.518 2.416 3.936 1.00 0.00 H new ATOM 0 HA ARG A 34 15.956 2.741 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.551 0.837 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.716 2.060 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.875 1.868 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.796 0.616 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.562 3.426 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 34 19.122 2.971 3.127 1.00 0.00 H new ATOM 0 HE ARG A 34 17.929 2.049 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.236 1.294 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.204 0.231 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.182 0.685 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.610 -0.112 -0.010 1.00 0.00 H new ATOM 428 N GLY A 35 16.520 5.022 4.827 1.00 0.00 N ATOM 429 CA GLY A 35 16.874 6.368 4.416 1.00 0.00 C ATOM 430 C GLY A 35 16.071 7.430 5.141 1.00 0.00 C ATOM 431 O GLY A 35 16.576 8.517 5.421 1.00 0.00 O ATOM 0 H GLY A 35 16.890 4.740 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.936 6.532 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.717 6.469 3.342 1.00 0.00 H new ATOM 435 N ARG A 36 14.815 7.117 5.442 1.00 0.00 N ATOM 436 CA ARG A 36 13.940 8.055 6.136 1.00 0.00 C ATOM 437 C ARG A 36 13.912 7.767 7.633 1.00 0.00 C ATOM 438 O ARG A 36 14.051 6.620 8.058 1.00 0.00 O ATOM 439 CB ARG A 36 12.524 7.980 5.563 1.00 0.00 C ATOM 440 CG ARG A 36 12.391 8.614 4.188 1.00 0.00 C ATOM 441 CD ARG A 36 13.174 7.841 3.139 1.00 0.00 C ATOM 442 NE ARG A 36 14.358 8.570 2.691 1.00 0.00 N ATOM 443 CZ ARG A 36 14.312 9.698 1.986 1.00 0.00 C ATOM 444 NH1 ARG A 36 13.144 10.225 1.640 1.00 0.00 N ATOM 445 NH2 ARG A 36 15.437 10.298 1.623 1.00 0.00 N ATOM 0 H ARG A 36 14.381 6.222 5.217 1.00 0.00 H new ATOM 0 HA ARG A 36 14.333 9.061 5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.220 6.935 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.836 8.473 6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.339 8.652 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.748 9.643 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.476 6.877 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.530 7.636 2.284 1.00 0.00 H new ATOM 0 HE ARG A 36 15.274 8.192 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.276 9.765 1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.115 11.090 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.337 9.895 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.403 11.162 1.083 1.00 0.00 H new ATOM 459 N GLY A 37 13.730 8.816 8.429 1.00 0.00 N ATOM 460 CA GLY A 37 13.687 8.653 9.871 1.00 0.00 C ATOM 461 C GLY A 37 13.627 9.979 10.603 1.00 0.00 C ATOM 462 O GLY A 37 13.678 11.031 9.932 1.00 0.00 O ATOM 463 OXT GLY A 37 13.527 9.965 11.848 1.00 0.00 O ATOM 0 H GLY A 37 13.612 9.775 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.817 8.053 10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.568 8.101 10.198 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 2.692 2.915 3.824 1.00 0.00 O HETATM 469 C02 D6M A1038 3.626 2.125 3.959 1.00 0.00 C HETATM 470 N03 D6M A1038 3.404 0.813 3.967 1.00 0.00 N HETATM 471 C04 D6M A1038 2.060 0.264 3.818 1.00 0.00 C HETATM 472 C05 D6M A1038 2.100 -1.032 3.006 1.00 0.00 C HETATM 473 C06 D6M A1038 3.242 -1.959 3.391 1.00 0.00 C HETATM 474 C07 D6M A1038 2.890 -3.424 3.219 1.00 0.00 C HETATM 475 O08 D6M A1038 2.486 -4.045 4.203 1.00 0.00 O HETATM 476 C09 D6M A1038 1.425 0.003 5.180 1.00 0.00 C HETATM 477 O10 D6M A1038 0.231 -0.361 5.215 1.00 0.00 O HETATM 478 O11 D6M A1038 2.127 0.166 6.200 1.00 0.00 O HETATM 479 C12 D6M A1038 5.027 2.686 4.100 1.00 0.00 C HETATM 480 C13 D6M A1038 5.563 3.275 2.802 1.00 0.00 C HETATM 481 C14 D6M A1038 4.859 4.576 2.443 1.00 0.00 C HETATM 482 C15 D6M A1038 5.253 5.713 3.374 1.00 0.00 C HETATM 483 C16 D6M A1038 4.120 6.072 4.322 1.00 0.00 C HETATM 484 C17 D6M A1038 4.645 6.591 5.652 1.00 0.00 C HETATM 485 C18 D6M A1038 5.269 5.479 6.481 1.00 0.00 C HETATM 486 C19 D6M A1038 4.217 4.520 7.015 1.00 0.00 C HETATM 487 C20 D6M A1038 4.848 3.247 7.556 1.00 0.00 C HETATM 488 C21 D6M A1038 5.633 3.514 8.830 1.00 0.00 C HETATM 489 C22 D6M A1038 6.469 2.309 9.232 1.00 0.00 C HETATM 490 C23 D6M A1038 7.895 2.423 8.717 1.00 0.00 C HETATM 491 C24 D6M A1038 8.902 1.953 9.755 1.00 0.00 C HETATM 492 C25 D6M A1038 9.311 3.084 10.685 1.00 0.00 C HETATM 493 C26 D6M A1038 9.866 2.560 11.992 1.00 0.00 C HETATM 0 H263 D6M A1038 9.108 1.960 12.495 1.00 0.00 H new HETATM 0 H262 D6M A1038 10.743 1.944 11.794 1.00 0.00 H new HETATM 0 H261 D6M A1038 10.147 3.398 12.630 1.00 0.00 H new HETATM 0 H252 D6M A1038 10.060 3.706 10.195 1.00 0.00 H new HETATM 0 H251 D6M A1038 8.449 3.721 10.885 1.00 0.00 H new HETATM 0 H242 D6M A1038 8.472 1.138 10.338 1.00 0.00 H new HETATM 0 H241 D6M A1038 9.784 1.555 9.254 1.00 0.00 H new HETATM 0 H232 D6M A1038 8.003 1.830 7.809 1.00 0.00 H new HETATM 0 H231 D6M A1038 8.104 3.458 8.448 1.00 0.00 H new HETATM 0 H222 D6M A1038 6.480 2.218 10.318 1.00 0.00 H new HETATM 0 H221 D6M A1038 6.011 1.400 8.841 1.00 0.00 H new HETATM 0 H212 D6M A1038 6.283 4.377 8.684 1.00 0.00 H new HETATM 0 H211 D6M A1038 4.945 3.766 9.637 1.00 0.00 H new HETATM 0 H202 D6M A1038 4.070 2.510 7.754 1.00 0.00 H new HETATM 0 H201 D6M A1038 5.509 2.818 6.803 1.00 0.00 H new HETATM 0 H192 D6M A1038 3.645 5.008 7.804 1.00 0.00 H new HETATM 0 H191 D6M A1038 3.514 4.270 6.220 1.00 0.00 H new HETATM 0 H182 D6M A1038 5.987 4.930 5.872 1.00 0.00 H new HETATM 0 H181 D6M A1038 5.823 5.912 7.314 1.00 0.00 H new HETATM 0 H172 D6M A1038 5.385 7.371 5.472 1.00 0.00 H new HETATM 0 H171 D6M A1038 3.830 7.049 6.212 1.00 0.00 H new HETATM 0 H162 D6M A1038 3.485 6.828 3.861 1.00 0.00 H new HETATM 0 H161 D6M A1038 3.497 5.194 4.494 1.00 0.00 H new HETATM 0 H152 D6M A1038 6.133 5.426 3.949 1.00 0.00 H new HETATM 0 H151 D6M A1038 5.528 6.588 2.786 1.00 0.00 H new HETATM 0 H142 D6M A1038 5.102 4.848 1.416 1.00 0.00 H new HETATM 0 H141 D6M A1038 3.780 4.429 2.487 1.00 0.00 H new HETATM 0 H132 D6M A1038 6.634 3.455 2.898 1.00 0.00 H new HETATM 0 H131 D6M A1038 5.432 2.555 1.994 1.00 0.00 H new HETATM 0 H122 D6M A1038 5.028 3.457 4.871 1.00 0.00 H new HETATM 0 H121 D6M A1038 5.697 1.896 4.438 1.00 0.00 H new HETATM 0 H062 D6M A1038 4.115 -1.725 2.782 1.00 0.00 H new HETATM 0 H061 D6M A1038 3.519 -1.776 4.429 1.00 0.00 H new HETATM 0 H052 D6M A1038 1.155 -1.561 3.135 1.00 0.00 H new HETATM 0 H051 D6M A1038 2.185 -0.785 1.948 1.00 0.00 H new HETATM 0 H11 D6M A1038 1.595 -0.033 6.999 1.00 0.00 H new HETATM 0 H04 D6M A1038 1.453 0.998 3.287 1.00 0.00 H new HETATM 0 H03 D6M A1038 4.192 0.176 4.080 1.00 0.00 H new