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= -0.205 X(o=-0.2,f=-0.49) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0323 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 -73:sc= 0.094 USER MOD Single : A 18 SER OG : rot 180:sc= -0.346 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= -0.268 (180deg=-0.268) USER MOD Single : A1038 D6M O11 : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -29.628 -4.630 4.130 1.00 0.00 N ATOM 2 CA HIS A 7 -28.204 -4.616 4.554 1.00 0.00 C ATOM 3 C HIS A 7 -27.276 -4.392 3.365 1.00 0.00 C ATOM 4 O HIS A 7 -27.665 -4.596 2.215 1.00 0.00 O ATOM 5 CB HIS A 7 -27.884 -5.951 5.229 1.00 0.00 C ATOM 6 CG HIS A 7 -26.842 -5.846 6.299 1.00 0.00 C ATOM 7 ND1 HIS A 7 -26.717 -4.748 7.123 1.00 0.00 N ATOM 8 CD2 HIS A 7 -25.872 -6.712 6.679 1.00 0.00 C ATOM 9 CE1 HIS A 7 -25.716 -4.942 7.964 1.00 0.00 C ATOM 10 NE2 HIS A 7 -25.188 -6.127 7.715 1.00 0.00 N ATOM 0 HA HIS A 7 -28.047 -3.794 5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -28.798 -6.358 5.662 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -27.546 -6.660 4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -25.674 -7.682 6.247 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -25.386 -4.250 8.725 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -24.399 -6.540 8.212 1.00 0.00 H new ATOM 21 N ALA A 8 -26.048 -3.973 3.650 1.00 0.00 N ATOM 22 CA ALA A 8 -25.065 -3.722 2.605 1.00 0.00 C ATOM 23 C ALA A 8 -23.716 -4.338 2.962 1.00 0.00 C ATOM 24 O ALA A 8 -23.270 -4.256 4.106 1.00 0.00 O ATOM 25 CB ALA A 8 -24.918 -2.227 2.366 1.00 0.00 C ATOM 0 H ALA A 8 -25.710 -3.800 4.597 1.00 0.00 H new ATOM 0 HA ALA A 8 -25.419 -4.192 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -24.180 -2.055 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -25.878 -1.812 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -24.591 -1.742 3.286 1.00 0.00 H new ATOM 31 N GLU A 9 -23.071 -4.952 1.976 1.00 0.00 N ATOM 32 CA GLU A 9 -21.772 -5.579 2.188 1.00 0.00 C ATOM 33 C GLU A 9 -20.648 -4.562 2.027 1.00 0.00 C ATOM 34 O GLU A 9 -20.894 -3.394 1.723 1.00 0.00 O ATOM 35 CB GLU A 9 -21.576 -6.738 1.209 1.00 0.00 C ATOM 36 CG GLU A 9 -22.792 -7.642 1.091 1.00 0.00 C ATOM 37 CD GLU A 9 -22.467 -8.982 0.460 1.00 0.00 C ATOM 38 OE1 GLU A 9 -21.496 -9.628 0.906 1.00 0.00 O ATOM 39 OE2 GLU A 9 -23.184 -9.385 -0.480 1.00 0.00 O ATOM 0 H GLU A 9 -23.426 -5.029 1.023 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.743 -5.967 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -21.335 -6.336 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.720 -7.333 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -23.216 -7.805 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.556 -7.141 0.496 1.00 0.00 H new ATOM 46 N GLY A 10 -19.414 -5.010 2.233 1.00 0.00 N ATOM 47 CA GLY A 10 -18.273 -4.122 2.106 1.00 0.00 C ATOM 48 C GLY A 10 -18.011 -3.717 0.669 1.00 0.00 C ATOM 49 O GLY A 10 -17.699 -4.558 -0.173 1.00 0.00 O ATOM 0 H GLY A 10 -19.184 -5.971 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.443 -3.229 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.387 -4.613 2.509 1.00 0.00 H new ATOM 53 N THR A 11 -18.139 -2.425 0.389 1.00 0.00 N ATOM 54 CA THR A 11 -17.916 -1.909 -0.956 1.00 0.00 C ATOM 55 C THR A 11 -16.441 -1.590 -1.179 1.00 0.00 C ATOM 56 O THR A 11 -15.591 -1.925 -0.354 1.00 0.00 O ATOM 57 CB THR A 11 -18.766 -0.659 -1.193 1.00 0.00 C ATOM 58 OG1 THR A 11 -19.726 -0.500 -0.163 1.00 0.00 O ATOM 59 CG2 THR A 11 -19.509 -0.683 -2.511 1.00 0.00 C ATOM 0 H THR A 11 -18.396 -1.716 1.076 1.00 0.00 H new ATOM 0 HA THR A 11 -18.212 -2.679 -1.668 1.00 0.00 H new ATOM 0 HB THR A 11 -18.060 0.171 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.258 0.306 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.092 0.232 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.794 -0.754 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.177 -1.544 -2.537 1.00 0.00 H new ATOM 67 N PHE A 12 -16.145 -0.939 -2.299 1.00 0.00 N ATOM 68 CA PHE A 12 -14.772 -0.575 -2.629 1.00 0.00 C ATOM 69 C PHE A 12 -14.719 0.366 -3.829 1.00 0.00 C ATOM 70 O PHE A 12 -13.882 1.265 -3.879 1.00 0.00 O ATOM 71 CB PHE A 12 -13.943 -1.829 -2.912 1.00 0.00 C ATOM 72 CG PHE A 12 -14.469 -2.653 -4.052 1.00 0.00 C ATOM 73 CD1 PHE A 12 -15.492 -3.565 -3.850 1.00 0.00 C ATOM 74 CD2 PHE A 12 -13.938 -2.517 -5.324 1.00 0.00 C ATOM 75 CE1 PHE A 12 -15.977 -4.326 -4.897 1.00 0.00 C ATOM 76 CE2 PHE A 12 -14.419 -3.275 -6.375 1.00 0.00 C ATOM 77 CZ PHE A 12 -15.439 -4.181 -6.161 1.00 0.00 C ATOM 0 H PHE A 12 -16.836 -0.653 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.351 -0.053 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.917 -1.534 -3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.913 -2.445 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.915 -3.683 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.139 -1.811 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.776 -5.033 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.998 -3.159 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.815 -4.775 -6.981 1.00 0.00 H new ATOM 87 N THR A 13 -15.612 0.150 -4.796 1.00 0.00 N ATOM 88 CA THR A 13 -15.669 0.974 -6.007 1.00 0.00 C ATOM 89 C THR A 13 -15.338 2.439 -5.717 1.00 0.00 C ATOM 90 O THR A 13 -14.706 3.113 -6.531 1.00 0.00 O ATOM 91 CB THR A 13 -17.056 0.875 -6.645 1.00 0.00 C ATOM 92 OG1 THR A 13 -17.160 1.747 -7.757 1.00 0.00 O ATOM 93 CG2 THR A 13 -18.179 1.214 -5.690 1.00 0.00 C ATOM 0 H THR A 13 -16.310 -0.593 -4.764 1.00 0.00 H new ATOM 0 HA THR A 13 -14.917 0.592 -6.698 1.00 0.00 H new ATOM 0 HB THR A 13 -17.161 -0.167 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.053 1.668 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 13 -19.135 1.124 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.157 0.527 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.055 2.236 -5.331 1.00 0.00 H new ATOM 101 N SER A 14 -15.764 2.922 -4.555 1.00 0.00 N ATOM 102 CA SER A 14 -15.508 4.303 -4.161 1.00 0.00 C ATOM 103 C SER A 14 -14.193 4.417 -3.394 1.00 0.00 C ATOM 104 O SER A 14 -13.399 5.327 -3.632 1.00 0.00 O ATOM 105 CB SER A 14 -16.659 4.833 -3.303 1.00 0.00 C ATOM 106 OG SER A 14 -17.907 4.355 -3.774 1.00 0.00 O ATOM 0 H SER A 14 -16.288 2.378 -3.869 1.00 0.00 H new ATOM 0 HA SER A 14 -15.432 4.904 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.516 4.526 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.655 5.923 -3.316 1.00 0.00 H new ATOM 0 HG SER A 14 -18.626 4.706 -3.208 1.00 0.00 H new ATOM 112 N ASP A 15 -13.973 3.486 -2.471 1.00 0.00 N ATOM 113 CA ASP A 15 -12.758 3.475 -1.661 1.00 0.00 C ATOM 114 C ASP A 15 -11.523 3.180 -2.511 1.00 0.00 C ATOM 115 O ASP A 15 -10.399 3.468 -2.104 1.00 0.00 O ATOM 116 CB ASP A 15 -12.879 2.438 -0.543 1.00 0.00 C ATOM 117 CG ASP A 15 -14.030 2.733 0.398 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.022 3.346 -0.050 1.00 0.00 O ATOM 119 OD2 ASP A 15 -13.941 2.350 1.584 1.00 0.00 O ATOM 0 H ASP A 15 -14.622 2.727 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.640 4.467 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.016 1.450 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.948 2.409 0.024 1.00 0.00 H new ATOM 124 N VAL A 16 -11.736 2.598 -3.690 1.00 0.00 N ATOM 125 CA VAL A 16 -10.640 2.255 -4.594 1.00 0.00 C ATOM 126 C VAL A 16 -9.627 3.393 -4.725 1.00 0.00 C ATOM 127 O VAL A 16 -8.457 3.160 -5.028 1.00 0.00 O ATOM 128 CB VAL A 16 -11.168 1.883 -5.994 1.00 0.00 C ATOM 129 CG1 VAL A 16 -10.020 1.543 -6.934 1.00 0.00 C ATOM 130 CG2 VAL A 16 -12.148 0.723 -5.899 1.00 0.00 C ATOM 0 H VAL A 16 -12.661 2.353 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.138 1.393 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.693 2.746 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.418 1.284 -7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.358 2.404 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.461 0.697 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.512 0.472 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.646 -0.143 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.989 1.008 -5.267 1.00 0.00 H new ATOM 140 N SER A 17 -10.076 4.621 -4.498 1.00 0.00 N ATOM 141 CA SER A 17 -9.196 5.779 -4.596 1.00 0.00 C ATOM 142 C SER A 17 -8.521 6.069 -3.257 1.00 0.00 C ATOM 143 O SER A 17 -7.398 6.567 -3.212 1.00 0.00 O ATOM 144 CB SER A 17 -9.984 7.005 -5.058 1.00 0.00 C ATOM 145 OG SER A 17 -10.992 7.347 -4.122 1.00 0.00 O ATOM 0 H SER A 17 -11.040 4.841 -4.246 1.00 0.00 H new ATOM 0 HA SER A 17 -8.422 5.553 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.306 7.848 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.438 6.805 -6.029 1.00 0.00 H new ATOM 0 HG SER A 17 -11.723 6.696 -4.176 1.00 0.00 H new ATOM 151 N SER A 18 -9.221 5.770 -2.169 1.00 0.00 N ATOM 152 CA SER A 18 -8.696 6.010 -0.829 1.00 0.00 C ATOM 153 C SER A 18 -7.937 4.803 -0.273 1.00 0.00 C ATOM 154 O SER A 18 -7.160 4.939 0.671 1.00 0.00 O ATOM 155 CB SER A 18 -9.835 6.384 0.120 1.00 0.00 C ATOM 156 OG SER A 18 -10.889 5.440 0.050 1.00 0.00 O ATOM 0 H SER A 18 -10.155 5.360 -2.188 1.00 0.00 H new ATOM 0 HA SER A 18 -7.987 6.835 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.458 6.438 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.213 7.375 -0.133 1.00 0.00 H new ATOM 0 HG SER A 18 -11.604 5.701 0.667 1.00 0.00 H new ATOM 162 N TYR A 19 -8.183 3.618 -0.832 1.00 0.00 N ATOM 163 CA TYR A 19 -7.530 2.405 -0.341 1.00 0.00 C ATOM 164 C TYR A 19 -6.150 2.197 -0.966 1.00 0.00 C ATOM 165 O TYR A 19 -5.316 1.481 -0.412 1.00 0.00 O ATOM 166 CB TYR A 19 -8.420 1.176 -0.591 1.00 0.00 C ATOM 167 CG TYR A 19 -8.179 0.476 -1.914 1.00 0.00 C ATOM 168 CD1 TYR A 19 -8.005 1.196 -3.087 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.120 -0.911 -1.981 1.00 0.00 C ATOM 170 CE1 TYR A 19 -7.780 0.554 -4.292 1.00 0.00 C ATOM 171 CE2 TYR A 19 -7.895 -1.559 -3.180 1.00 0.00 C ATOM 172 CZ TYR A 19 -7.725 -0.822 -4.332 1.00 0.00 C ATOM 173 OH TYR A 19 -7.500 -1.464 -5.528 1.00 0.00 O ATOM 0 H TYR A 19 -8.821 3.473 -1.615 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.385 2.530 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.263 0.461 0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.464 1.485 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.046 2.275 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.252 -1.492 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.648 1.129 -5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.853 -2.638 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.490 -2.433 -5.382 1.00 0.00 H new ATOM 183 N LEU A 20 -5.910 2.814 -2.120 1.00 0.00 N ATOM 184 CA LEU A 20 -4.626 2.673 -2.803 1.00 0.00 C ATOM 185 C LEU A 20 -3.463 2.930 -1.849 1.00 0.00 C ATOM 186 O LEU A 20 -3.639 3.522 -0.784 1.00 0.00 O ATOM 187 CB LEU A 20 -4.543 3.624 -3.999 1.00 0.00 C ATOM 188 CG LEU A 20 -5.096 5.028 -3.757 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.018 5.937 -3.190 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.661 5.600 -5.048 1.00 0.00 C ATOM 0 H LEU A 20 -6.582 3.413 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.554 1.647 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.500 3.710 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.082 3.178 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.902 4.964 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.431 6.932 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.660 5.531 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.189 6.001 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.052 6.600 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.872 5.652 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.464 4.958 -5.410 1.00 0.00 H new ATOM 202 N GLU A 21 -2.276 2.474 -2.237 1.00 0.00 N ATOM 203 CA GLU A 21 -1.083 2.647 -1.415 1.00 0.00 C ATOM 204 C GLU A 21 -1.227 1.900 -0.092 1.00 0.00 C ATOM 205 O GLU A 21 -1.051 2.475 0.983 1.00 0.00 O ATOM 206 CB GLU A 21 -0.821 4.134 -1.157 1.00 0.00 C ATOM 207 CG GLU A 21 0.091 4.778 -2.188 1.00 0.00 C ATOM 208 CD GLU A 21 1.530 4.320 -2.061 1.00 0.00 C ATOM 209 OE1 GLU A 21 1.752 3.176 -1.609 1.00 0.00 O ATOM 210 OE2 GLU A 21 2.436 5.103 -2.414 1.00 0.00 O ATOM 0 H GLU A 21 -2.115 1.982 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.233 2.231 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.773 4.665 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.377 4.250 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.274 4.543 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.048 5.862 -2.079 1.00 0.00 H new ATOM 217 N GLY A 22 -1.549 0.613 -0.180 1.00 0.00 N ATOM 218 CA GLY A 22 -1.714 -0.196 1.015 1.00 0.00 C ATOM 219 C GLY A 22 -0.473 -0.208 1.886 1.00 0.00 C ATOM 220 O GLY A 22 0.491 -0.915 1.595 1.00 0.00 O ATOM 0 H GLY A 22 -1.699 0.115 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.556 0.184 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.961 -1.218 0.727 1.00 0.00 H new ATOM 224 N GLN A 23 -0.498 0.579 2.956 1.00 0.00 N ATOM 225 CA GLN A 23 0.633 0.660 3.873 1.00 0.00 C ATOM 226 C GLN A 23 0.949 -0.703 4.481 1.00 0.00 C ATOM 227 O GLN A 23 2.087 -0.970 4.868 1.00 0.00 O ATOM 228 CB GLN A 23 0.345 1.671 4.983 1.00 0.00 C ATOM 229 CG GLN A 23 -0.951 1.402 5.730 1.00 0.00 C ATOM 230 CD GLN A 23 -1.196 2.396 6.848 1.00 0.00 C ATOM 231 OE1 GLN A 23 -2.141 3.182 6.800 1.00 0.00 O ATOM 232 NE2 GLN A 23 -0.341 2.364 7.865 1.00 0.00 N ATOM 0 H GLN A 23 -1.290 1.170 3.210 1.00 0.00 H new ATOM 0 HA GLN A 23 1.502 0.990 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.172 1.664 5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.305 2.671 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.784 1.437 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.925 0.394 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.429 1.695 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.455 3.008 8.647 1.00 0.00 H new ATOM 241 N ALA A 24 -0.064 -1.563 4.563 1.00 0.00 N ATOM 242 CA ALA A 24 0.106 -2.901 5.126 1.00 0.00 C ATOM 243 C ALA A 24 1.358 -3.579 4.576 1.00 0.00 C ATOM 244 O ALA A 24 2.264 -3.938 5.329 1.00 0.00 O ATOM 245 CB ALA A 24 -1.124 -3.750 4.843 1.00 0.00 C ATOM 0 H ALA A 24 -1.012 -1.357 4.247 1.00 0.00 H new ATOM 0 HA ALA A 24 0.227 -2.800 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.985 -4.744 5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.000 -3.283 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.269 -3.832 3.766 1.00 0.00 H new ATOM 251 N ALA A 25 1.405 -3.743 3.259 1.00 0.00 N ATOM 252 CA ALA A 25 2.549 -4.367 2.607 1.00 0.00 C ATOM 253 C ALA A 25 3.589 -3.323 2.222 1.00 0.00 C ATOM 254 O ALA A 25 4.781 -3.500 2.467 1.00 0.00 O ATOM 255 CB ALA A 25 2.100 -5.148 1.382 1.00 0.00 C ATOM 0 H ALA A 25 0.663 -3.452 2.622 1.00 0.00 H new ATOM 0 HA ALA A 25 3.008 -5.060 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.966 -5.608 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.396 -5.924 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.615 -4.472 0.677 1.00 0.00 H new ATOM 261 N LYS A 26 3.127 -2.229 1.621 1.00 0.00 N ATOM 262 CA LYS A 26 4.016 -1.150 1.200 1.00 0.00 C ATOM 263 C LYS A 26 4.954 -0.733 2.330 1.00 0.00 C ATOM 264 O LYS A 26 6.032 -0.196 2.084 1.00 0.00 O ATOM 265 CB LYS A 26 3.203 0.057 0.724 1.00 0.00 C ATOM 266 CG LYS A 26 2.418 -0.198 -0.556 1.00 0.00 C ATOM 267 CD LYS A 26 3.286 -0.830 -1.633 1.00 0.00 C ATOM 268 CE LYS A 26 3.116 -2.340 -1.663 1.00 0.00 C ATOM 269 NZ LYS A 26 4.215 -3.005 -2.356 1.00 0.00 N ATOM 0 H LYS A 26 2.141 -2.067 1.415 1.00 0.00 H new ATOM 0 HA LYS A 26 4.621 -1.521 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.510 0.350 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.878 0.898 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.573 -0.852 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.008 0.742 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.024 -0.413 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.332 -0.583 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.051 -2.717 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.175 -2.588 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.057 -4.033 -2.352 1.00 0.00 H new ATOM 281 N GLU A 27 4.539 -0.985 3.570 1.00 0.00 N ATOM 282 CA GLU A 27 5.344 -0.637 4.738 1.00 0.00 C ATOM 283 C GLU A 27 6.806 -1.040 4.547 1.00 0.00 C ATOM 284 O GLU A 27 7.708 -0.416 5.106 1.00 0.00 O ATOM 285 CB GLU A 27 4.776 -1.309 5.991 1.00 0.00 C ATOM 286 CG GLU A 27 4.035 -0.351 6.911 1.00 0.00 C ATOM 287 CD GLU A 27 4.532 -0.411 8.342 1.00 0.00 C ATOM 288 OE1 GLU A 27 5.750 -0.237 8.556 1.00 0.00 O ATOM 289 OE2 GLU A 27 3.702 -0.630 9.250 1.00 0.00 O ATOM 0 H GLU A 27 3.648 -1.430 3.791 1.00 0.00 H new ATOM 0 HA GLU A 27 5.304 0.445 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.098 -2.108 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.591 -1.775 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.146 0.666 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.970 -0.584 6.890 1.00 0.00 H new ATOM 296 N PHE A 28 7.035 -2.085 3.756 1.00 0.00 N ATOM 297 CA PHE A 28 8.390 -2.559 3.499 1.00 0.00 C ATOM 298 C PHE A 28 9.197 -1.505 2.742 1.00 0.00 C ATOM 299 O PHE A 28 10.381 -1.302 3.010 1.00 0.00 O ATOM 300 CB PHE A 28 8.355 -3.884 2.717 1.00 0.00 C ATOM 301 CG PHE A 28 8.170 -3.729 1.229 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.188 -3.217 0.440 1.00 0.00 C ATOM 303 CD2 PHE A 28 6.982 -4.098 0.623 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.023 -3.075 -0.923 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.810 -3.959 -0.741 1.00 0.00 C ATOM 306 CZ PHE A 28 7.832 -3.445 -1.515 1.00 0.00 C ATOM 0 H PHE A 28 6.303 -2.617 3.285 1.00 0.00 H new ATOM 0 HA PHE A 28 8.880 -2.737 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.284 -4.424 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.546 -4.501 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.122 -2.926 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.179 -4.500 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.825 -2.675 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.878 -4.252 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.700 -3.333 -2.581 1.00 0.00 H new ATOM 316 N ILE A 29 8.544 -0.841 1.792 1.00 0.00 N ATOM 317 CA ILE A 29 9.190 0.190 0.987 1.00 0.00 C ATOM 318 C ILE A 29 9.822 1.269 1.866 1.00 0.00 C ATOM 319 O ILE A 29 10.836 1.860 1.504 1.00 0.00 O ATOM 320 CB ILE A 29 8.186 0.838 0.004 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.934 1.542 -1.126 1.00 0.00 C ATOM 322 CG2 ILE A 29 7.255 1.809 0.720 1.00 0.00 C ATOM 323 CD1 ILE A 29 8.021 2.142 -2.172 1.00 0.00 C ATOM 0 H ILE A 29 7.563 -1.000 1.561 1.00 0.00 H new ATOM 0 HA ILE A 29 9.980 -0.297 0.415 1.00 0.00 H new ATOM 0 HB ILE A 29 7.570 0.046 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.556 2.331 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.605 0.830 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.563 2.247 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.693 1.276 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.843 2.600 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.620 2.626 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.417 1.355 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.368 2.879 -1.705 1.00 0.00 H new ATOM 335 N ALA A 30 9.216 1.519 3.021 1.00 0.00 N ATOM 336 CA ALA A 30 9.721 2.528 3.945 1.00 0.00 C ATOM 337 C ALA A 30 11.138 2.202 4.410 1.00 0.00 C ATOM 338 O ALA A 30 11.940 3.101 4.660 1.00 0.00 O ATOM 339 CB ALA A 30 8.791 2.659 5.142 1.00 0.00 C ATOM 0 H ALA A 30 8.375 1.038 3.340 1.00 0.00 H new ATOM 0 HA ALA A 30 9.755 3.479 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.180 3.415 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.798 2.953 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.728 1.702 5.660 1.00 0.00 H new ATOM 345 N TRP A 31 11.439 0.914 4.530 1.00 0.00 N ATOM 346 CA TRP A 31 12.757 0.476 4.974 1.00 0.00 C ATOM 347 C TRP A 31 13.804 0.685 3.877 1.00 0.00 C ATOM 348 O TRP A 31 14.715 1.500 4.022 1.00 0.00 O ATOM 349 CB TRP A 31 12.697 -1.000 5.408 1.00 0.00 C ATOM 350 CG TRP A 31 13.841 -1.841 4.917 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.144 -1.771 5.318 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.780 -2.875 3.927 1.00 0.00 C ATOM 353 NE1 TRP A 31 15.897 -2.697 4.639 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.083 -3.388 3.780 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.752 -3.419 3.152 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.382 -4.416 2.889 1.00 0.00 C ATOM 357 CZ3 TRP A 31 13.051 -4.439 2.268 1.00 0.00 C ATOM 358 CH2 TRP A 31 14.357 -4.928 2.144 1.00 0.00 C ATOM 0 H TRP A 31 10.789 0.155 4.326 1.00 0.00 H new ATOM 0 HA TRP A 31 13.057 1.080 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.671 -1.045 6.497 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.764 -1.433 5.049 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.527 -1.087 6.061 1.00 0.00 H new ATOM 0 HE1 TRP A 31 16.899 -2.846 4.755 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.741 -3.049 3.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 16.388 -4.795 2.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.264 -4.866 1.663 1.00 0.00 H new ATOM 0 HH2 TRP A 31 14.559 -5.726 1.445 1.00 0.00 H new ATOM 369 N LEU A 32 13.675 -0.068 2.792 1.00 0.00 N ATOM 370 CA LEU A 32 14.616 0.020 1.680 1.00 0.00 C ATOM 371 C LEU A 32 14.721 1.442 1.134 1.00 0.00 C ATOM 372 O LEU A 32 15.820 1.931 0.871 1.00 0.00 O ATOM 373 CB LEU A 32 14.217 -0.942 0.556 1.00 0.00 C ATOM 374 CG LEU A 32 12.717 -1.048 0.274 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.275 0.054 -0.674 1.00 0.00 C ATOM 376 CD2 LEU A 32 12.387 -2.416 -0.303 1.00 0.00 C ATOM 0 H LEU A 32 12.927 -0.748 2.657 1.00 0.00 H new ATOM 0 HA LEU A 32 15.595 -0.265 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.719 -0.630 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.593 -1.935 0.802 1.00 0.00 H new ATOM 0 HG LEU A 32 12.176 -0.928 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.205 -0.037 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.483 1.025 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.819 -0.035 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.317 -2.479 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.936 -2.560 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.671 -3.190 0.410 1.00 0.00 H new ATOM 388 N VAL A 33 13.581 2.101 0.955 1.00 0.00 N ATOM 389 CA VAL A 33 13.566 3.462 0.429 1.00 0.00 C ATOM 390 C VAL A 33 14.420 4.400 1.281 1.00 0.00 C ATOM 391 O VAL A 33 15.096 5.286 0.757 1.00 0.00 O ATOM 392 CB VAL A 33 12.129 4.018 0.333 1.00 0.00 C ATOM 393 CG1 VAL A 33 11.599 4.407 1.706 1.00 0.00 C ATOM 394 CG2 VAL A 33 12.081 5.202 -0.620 1.00 0.00 C ATOM 0 H VAL A 33 12.659 1.717 1.165 1.00 0.00 H new ATOM 0 HA VAL A 33 13.990 3.414 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 33 11.486 3.231 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.585 4.795 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.591 3.531 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.241 5.174 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.061 5.582 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.742 5.989 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.405 4.885 -1.611 1.00 0.00 H new ATOM 404 N ARG A 34 14.387 4.199 2.595 1.00 0.00 N ATOM 405 CA ARG A 34 15.160 5.028 3.515 1.00 0.00 C ATOM 406 C ARG A 34 16.438 4.315 3.948 1.00 0.00 C ATOM 407 O ARG A 34 17.527 4.623 3.464 1.00 0.00 O ATOM 408 CB ARG A 34 14.322 5.387 4.745 1.00 0.00 C ATOM 409 CG ARG A 34 13.162 6.320 4.443 1.00 0.00 C ATOM 410 CD ARG A 34 11.905 5.902 5.189 1.00 0.00 C ATOM 411 NE ARG A 34 11.084 7.049 5.569 1.00 0.00 N ATOM 412 CZ ARG A 34 9.798 6.962 5.901 1.00 0.00 C ATOM 413 NH1 ARG A 34 9.184 5.786 5.902 1.00 0.00 N ATOM 414 NH2 ARG A 34 9.124 8.054 6.233 1.00 0.00 N ATOM 0 H ARG A 34 13.834 3.470 3.047 1.00 0.00 H new ATOM 0 HA ARG A 34 15.434 5.944 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.933 4.470 5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.967 5.853 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.431 7.339 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.966 6.324 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.319 5.229 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.183 5.344 6.083 1.00 0.00 H new ATOM 0 HE ARG A 34 11.522 7.970 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.698 4.942 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.198 5.726 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.591 8.961 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.138 7.987 6.487 1.00 0.00 H new ATOM 428 N GLY A 35 16.296 3.360 4.863 1.00 0.00 N ATOM 429 CA GLY A 35 17.445 2.618 5.346 1.00 0.00 C ATOM 430 C GLY A 35 18.024 1.695 4.293 1.00 0.00 C ATOM 431 O GLY A 35 17.815 0.483 4.337 1.00 0.00 O ATOM 0 H GLY A 35 15.405 3.088 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.214 3.318 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.155 2.032 6.218 1.00 0.00 H new ATOM 435 N ARG A 36 18.752 2.269 3.342 1.00 0.00 N ATOM 436 CA ARG A 36 19.362 1.490 2.272 1.00 0.00 C ATOM 437 C ARG A 36 20.205 2.382 1.367 1.00 0.00 C ATOM 438 O ARG A 36 19.982 3.590 1.288 1.00 0.00 O ATOM 439 CB ARG A 36 18.284 0.781 1.451 1.00 0.00 C ATOM 440 CG ARG A 36 18.715 -0.578 0.922 1.00 0.00 C ATOM 441 CD ARG A 36 18.138 -0.848 -0.459 1.00 0.00 C ATOM 442 NE ARG A 36 18.610 -2.115 -1.011 1.00 0.00 N ATOM 443 CZ ARG A 36 19.856 -2.322 -1.430 1.00 0.00 C ATOM 444 NH1 ARG A 36 20.759 -1.352 -1.358 1.00 0.00 N ATOM 445 NH2 ARG A 36 20.201 -3.504 -1.920 1.00 0.00 N ATOM 0 H ARG A 36 18.934 3.271 3.290 1.00 0.00 H new ATOM 0 HA ARG A 36 20.013 0.742 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.394 0.656 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.003 1.416 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 36 19.803 -0.624 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 18.391 -1.357 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.050 -0.861 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 36 18.412 -0.035 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 36 17.946 -2.886 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 36 20.500 -0.441 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.712 -1.518 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.512 -4.254 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.156 -3.664 -2.241 1.00 0.00 H new ATOM 459 N GLY A 37 21.174 1.779 0.687 1.00 0.00 N ATOM 460 CA GLY A 37 22.035 2.535 -0.203 1.00 0.00 C ATOM 461 C GLY A 37 23.463 2.620 0.302 1.00 0.00 C ATOM 462 O GLY A 37 23.805 3.633 0.947 1.00 0.00 O ATOM 463 OXT GLY A 37 24.240 1.674 0.051 1.00 0.00 O ATOM 0 H GLY A 37 21.378 0.781 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 22.029 2.071 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 21.635 3.542 -0.322 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 8.602 -6.955 -0.664 1.00 0.00 O HETATM 469 C02 D6M A1038 8.729 -6.298 -1.697 1.00 0.00 C HETATM 470 N03 D6M A1038 7.692 -6.122 -2.513 1.00 0.00 N HETATM 471 C04 D6M A1038 6.379 -6.692 -2.222 1.00 0.00 C HETATM 472 C05 D6M A1038 5.389 -6.346 -3.336 1.00 0.00 C HETATM 473 C06 D6M A1038 5.285 -4.856 -3.621 1.00 0.00 C HETATM 474 C07 D6M A1038 4.111 -4.207 -2.914 1.00 0.00 C HETATM 475 O08 D6M A1038 3.048 -4.825 -2.863 1.00 0.00 O HETATM 476 C09 D6M A1038 6.466 -8.206 -2.060 1.00 0.00 C HETATM 477 O10 D6M A1038 6.025 -8.714 -1.007 1.00 0.00 O HETATM 478 O11 D6M A1038 6.974 -8.872 -2.987 1.00 0.00 O HETATM 479 C12 D6M A1038 10.096 -5.726 -2.021 1.00 0.00 C HETATM 480 C13 D6M A1038 10.971 -5.553 -0.788 1.00 0.00 C HETATM 481 C14 D6M A1038 12.382 -6.067 -1.027 1.00 0.00 C HETATM 482 C15 D6M A1038 13.074 -5.296 -2.141 1.00 0.00 C HETATM 483 C16 D6M A1038 14.586 -5.466 -2.088 1.00 0.00 C HETATM 484 C17 D6M A1038 15.305 -4.125 -2.034 1.00 0.00 C HETATM 485 C18 D6M A1038 14.943 -3.241 -3.220 1.00 0.00 C HETATM 486 C19 D6M A1038 15.286 -1.785 -2.953 1.00 0.00 C HETATM 487 C20 D6M A1038 14.226 -0.845 -3.510 1.00 0.00 C HETATM 488 C21 D6M A1038 14.853 0.377 -4.167 1.00 0.00 C HETATM 489 C22 D6M A1038 14.482 1.662 -3.439 1.00 0.00 C HETATM 490 C23 D6M A1038 13.532 2.521 -4.262 1.00 0.00 C HETATM 491 C24 D6M A1038 12.282 2.884 -3.475 1.00 0.00 C HETATM 492 C25 D6M A1038 11.518 1.644 -3.043 1.00 0.00 C HETATM 493 C26 D6M A1038 10.328 1.377 -3.938 1.00 0.00 C HETATM 0 H263 D6M A1038 9.647 2.228 -3.902 1.00 0.00 H new HETATM 0 H262 D6M A1038 10.669 1.229 -4.962 1.00 0.00 H new HETATM 0 H261 D6M A1038 9.809 0.482 -3.595 1.00 0.00 H new HETATM 0 H252 D6M A1038 12.185 0.782 -3.059 1.00 0.00 H new HETATM 0 H251 D6M A1038 11.179 1.766 -2.014 1.00 0.00 H new HETATM 0 H242 D6M A1038 12.560 3.466 -2.596 1.00 0.00 H new HETATM 0 H241 D6M A1038 11.637 3.516 -4.085 1.00 0.00 H new HETATM 0 H232 D6M A1038 14.043 3.432 -4.575 1.00 0.00 H new HETATM 0 H231 D6M A1038 13.249 1.986 -5.169 1.00 0.00 H new HETATM 0 H222 D6M A1038 14.017 1.418 -2.484 1.00 0.00 H new HETATM 0 H221 D6M A1038 15.386 2.229 -3.218 1.00 0.00 H new HETATM 0 H212 D6M A1038 15.937 0.267 -4.180 1.00 0.00 H new HETATM 0 H211 D6M A1038 14.526 0.440 -5.205 1.00 0.00 H new HETATM 0 H202 D6M A1038 13.613 -1.377 -4.238 1.00 0.00 H new HETATM 0 H201 D6M A1038 13.562 -0.527 -2.706 1.00 0.00 H new HETATM 0 H192 D6M A1038 15.386 -1.626 -1.879 1.00 0.00 H new HETATM 0 H191 D6M A1038 16.252 -1.551 -3.401 1.00 0.00 H new HETATM 0 H182 D6M A1038 15.475 -3.585 -4.107 1.00 0.00 H new HETATM 0 H181 D6M A1038 13.878 -3.332 -3.432 1.00 0.00 H new HETATM 0 H172 D6M A1038 15.049 -3.612 -1.107 1.00 0.00 H new HETATM 0 H171 D6M A1038 16.382 -4.290 -2.019 1.00 0.00 H new HETATM 0 H162 D6M A1038 14.855 -6.058 -1.213 1.00 0.00 H new HETATM 0 H161 D6M A1038 14.920 -6.022 -2.964 1.00 0.00 H new HETATM 0 H152 D6M A1038 12.703 -5.640 -3.106 1.00 0.00 H new HETATM 0 H151 D6M A1038 12.824 -4.238 -2.061 1.00 0.00 H new HETATM 0 H142 D6M A1038 12.962 -5.981 -0.108 1.00 0.00 H new HETATM 0 H141 D6M A1038 12.346 -7.126 -1.283 1.00 0.00 H new HETATM 0 H132 D6M A1038 11.009 -4.499 -0.513 1.00 0.00 H new HETATM 0 H131 D6M A1038 10.526 -6.086 0.052 1.00 0.00 H new HETATM 0 H122 D6M A1038 10.601 -6.383 -2.730 1.00 0.00 H new HETATM 0 H121 D6M A1038 9.974 -4.761 -2.512 1.00 0.00 H new HETATM 0 H062 D6M A1038 6.208 -4.365 -3.311 1.00 0.00 H new HETATM 0 H061 D6M A1038 5.188 -4.701 -4.696 1.00 0.00 H new HETATM 0 H052 D6M A1038 5.688 -6.861 -4.249 1.00 0.00 H new HETATM 0 H051 D6M A1038 4.404 -6.725 -3.065 1.00 0.00 H new HETATM 0 H11 D6M A1038 7.186 -9.773 -2.665 1.00 0.00 H new HETATM 0 H04 D6M A1038 6.026 -6.262 -1.284 1.00 0.00 H new HETATM 0 H03 D6M A1038 7.818 -5.574 -3.364 1.00 0.00 H new