USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=9 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 HZ2 : 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 Set 1.1: A 13 THR OG1 : rot 180:sc= 0.00723 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.228 K(o=-0.23,f=-0.89) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0185 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= -0.274 X(o=-0.27,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -91:sc= 0.69 (180deg=-0.0204) USER MOD Single : A1038 D6M O11 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -19.909 1.598 14.693 1.00 0.00 N ATOM 2 CA HIS A 7 -19.953 2.245 13.356 1.00 0.00 C ATOM 3 C HIS A 7 -19.835 1.213 12.240 1.00 0.00 C ATOM 4 O HIS A 7 -19.199 0.173 12.407 1.00 0.00 O ATOM 5 CB HIS A 7 -18.808 3.255 13.265 1.00 0.00 C ATOM 6 CG HIS A 7 -17.451 2.634 13.382 1.00 0.00 C ATOM 7 ND1 HIS A 7 -17.009 2.000 14.525 1.00 0.00 N ATOM 8 CD2 HIS A 7 -16.435 2.549 12.491 1.00 0.00 C ATOM 9 CE1 HIS A 7 -15.780 1.555 14.332 1.00 0.00 C ATOM 10 NE2 HIS A 7 -15.409 1.875 13.106 1.00 0.00 N ATOM 0 HA HIS A 7 -20.911 2.751 13.235 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.876 3.784 12.314 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.927 3.999 14.053 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -17.547 1.892 15.385 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -16.432 2.939 11.484 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.181 1.020 15.054 1.00 0.00 H new ATOM 21 N ALA A 8 -20.453 1.508 11.101 1.00 0.00 N ATOM 22 CA ALA A 8 -20.418 0.605 9.957 1.00 0.00 C ATOM 23 C ALA A 8 -19.075 0.680 9.239 1.00 0.00 C ATOM 24 O ALA A 8 -18.415 1.719 9.241 1.00 0.00 O ATOM 25 CB ALA A 8 -21.550 0.928 8.994 1.00 0.00 C ATOM 0 H ALA A 8 -20.984 2.365 10.946 1.00 0.00 H new ATOM 0 HA ALA A 8 -20.548 -0.412 10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -21.511 0.246 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -22.506 0.816 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -21.445 1.954 8.640 1.00 0.00 H new ATOM 31 N GLU A 9 -18.677 -0.429 8.624 1.00 0.00 N ATOM 32 CA GLU A 9 -17.413 -0.490 7.900 1.00 0.00 C ATOM 33 C GLU A 9 -17.648 -0.493 6.393 1.00 0.00 C ATOM 34 O GLU A 9 -18.219 -1.436 5.846 1.00 0.00 O ATOM 35 CB GLU A 9 -16.627 -1.737 8.309 1.00 0.00 C ATOM 36 CG GLU A 9 -17.467 -3.003 8.340 1.00 0.00 C ATOM 37 CD GLU A 9 -16.667 -4.241 7.989 1.00 0.00 C ATOM 38 OE1 GLU A 9 -15.424 -4.197 8.103 1.00 0.00 O ATOM 39 OE2 GLU A 9 -17.284 -5.256 7.600 1.00 0.00 O ATOM 0 H GLU A 9 -19.212 -1.298 8.613 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.833 0.397 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.798 -1.878 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.193 -1.575 9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.899 -3.124 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.297 -2.901 7.641 1.00 0.00 H new ATOM 46 N GLY A 10 -17.202 0.567 5.728 1.00 0.00 N ATOM 47 CA GLY A 10 -17.371 0.667 4.290 1.00 0.00 C ATOM 48 C GLY A 10 -16.499 -0.317 3.535 1.00 0.00 C ATOM 49 O GLY A 10 -15.896 -1.208 4.134 1.00 0.00 O ATOM 0 H GLY A 10 -16.726 1.359 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.416 0.490 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.132 1.681 3.969 1.00 0.00 H new ATOM 53 N THR A 11 -16.432 -0.158 2.217 1.00 0.00 N ATOM 54 CA THR A 11 -15.626 -1.042 1.382 1.00 0.00 C ATOM 55 C THR A 11 -14.138 -0.806 1.624 1.00 0.00 C ATOM 56 O THR A 11 -13.758 -0.023 2.495 1.00 0.00 O ATOM 57 CB THR A 11 -15.960 -0.828 -0.095 1.00 0.00 C ATOM 58 OG1 THR A 11 -15.164 -1.662 -0.917 1.00 0.00 O ATOM 59 CG2 THR A 11 -15.757 0.599 -0.555 1.00 0.00 C ATOM 0 H THR A 11 -16.925 0.573 1.705 1.00 0.00 H new ATOM 0 HA THR A 11 -15.860 -2.072 1.651 1.00 0.00 H new ATOM 0 HB THR A 11 -17.017 -1.076 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.395 -1.511 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.012 0.680 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.398 1.263 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.715 0.883 -0.410 1.00 0.00 H new ATOM 67 N PHE A 12 -13.299 -1.489 0.851 1.00 0.00 N ATOM 68 CA PHE A 12 -11.852 -1.352 0.990 1.00 0.00 C ATOM 69 C PHE A 12 -11.123 -2.044 -0.159 1.00 0.00 C ATOM 70 O PHE A 12 -10.124 -1.536 -0.667 1.00 0.00 O ATOM 71 CB PHE A 12 -11.394 -1.938 2.327 1.00 0.00 C ATOM 72 CG PHE A 12 -9.931 -1.737 2.606 1.00 0.00 C ATOM 73 CD1 PHE A 12 -8.990 -2.627 2.114 1.00 0.00 C ATOM 74 CD2 PHE A 12 -9.499 -0.661 3.364 1.00 0.00 C ATOM 75 CE1 PHE A 12 -7.644 -2.447 2.372 1.00 0.00 C ATOM 76 CE2 PHE A 12 -8.154 -0.475 3.625 1.00 0.00 C ATOM 77 CZ PHE A 12 -7.226 -1.369 3.128 1.00 0.00 C ATOM 0 H PHE A 12 -13.594 -2.141 0.124 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.608 -0.290 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.974 -1.483 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.614 -3.006 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.312 -3.471 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.221 0.040 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.920 -3.148 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.830 0.368 4.217 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.175 -1.225 3.330 1.00 0.00 H new ATOM 87 N THR A 13 -11.626 -3.208 -0.560 1.00 0.00 N ATOM 88 CA THR A 13 -11.022 -3.975 -1.646 1.00 0.00 C ATOM 89 C THR A 13 -10.738 -3.095 -2.861 1.00 0.00 C ATOM 90 O THR A 13 -9.595 -2.981 -3.303 1.00 0.00 O ATOM 91 CB THR A 13 -11.936 -5.134 -2.047 1.00 0.00 C ATOM 92 OG1 THR A 13 -13.296 -4.739 -1.998 1.00 0.00 O ATOM 93 CG2 THR A 13 -11.780 -6.353 -1.164 1.00 0.00 C ATOM 0 H THR A 13 -12.452 -3.642 -0.148 1.00 0.00 H new ATOM 0 HA THR A 13 -10.073 -4.371 -1.285 1.00 0.00 H new ATOM 0 HB THR A 13 -11.638 -5.400 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.865 -5.493 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.457 -7.137 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.752 -6.712 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.018 -6.089 -0.134 1.00 0.00 H new ATOM 101 N SER A 14 -11.786 -2.481 -3.403 1.00 0.00 N ATOM 102 CA SER A 14 -11.644 -1.619 -4.572 1.00 0.00 C ATOM 103 C SER A 14 -11.378 -0.173 -4.167 1.00 0.00 C ATOM 104 O SER A 14 -10.568 0.514 -4.790 1.00 0.00 O ATOM 105 CB SER A 14 -12.898 -1.695 -5.444 1.00 0.00 C ATOM 106 OG SER A 14 -13.439 -3.005 -5.448 1.00 0.00 O ATOM 0 H SER A 14 -12.740 -2.564 -3.052 1.00 0.00 H new ATOM 0 HA SER A 14 -10.787 -1.974 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.644 -0.991 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.654 -1.396 -6.463 1.00 0.00 H new ATOM 0 HG SER A 14 -14.241 -3.026 -6.011 1.00 0.00 H new ATOM 112 N ASP A 15 -12.061 0.286 -3.122 1.00 0.00 N ATOM 113 CA ASP A 15 -11.891 1.654 -2.639 1.00 0.00 C ATOM 114 C ASP A 15 -10.410 1.999 -2.495 1.00 0.00 C ATOM 115 O ASP A 15 -10.015 3.158 -2.619 1.00 0.00 O ATOM 116 CB ASP A 15 -12.603 1.837 -1.297 1.00 0.00 C ATOM 117 CG ASP A 15 -12.511 3.260 -0.781 1.00 0.00 C ATOM 118 OD1 ASP A 15 -12.259 4.172 -1.596 1.00 0.00 O ATOM 119 OD2 ASP A 15 -12.690 3.462 0.438 1.00 0.00 O ATOM 0 H ASP A 15 -12.736 -0.267 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.334 2.329 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.652 1.560 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.168 1.159 -0.563 1.00 0.00 H new ATOM 124 N VAL A 16 -9.599 0.978 -2.237 1.00 0.00 N ATOM 125 CA VAL A 16 -8.163 1.157 -2.080 1.00 0.00 C ATOM 126 C VAL A 16 -7.471 1.226 -3.440 1.00 0.00 C ATOM 127 O VAL A 16 -6.701 2.147 -3.710 1.00 0.00 O ATOM 128 CB VAL A 16 -7.555 0.005 -1.249 1.00 0.00 C ATOM 129 CG1 VAL A 16 -6.048 -0.093 -1.449 1.00 0.00 C ATOM 130 CG2 VAL A 16 -7.892 0.182 0.223 1.00 0.00 C ATOM 0 H VAL A 16 -9.916 0.014 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.003 2.098 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.993 -0.929 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.654 -0.914 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.832 -0.276 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.578 0.841 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.457 -0.637 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.486 1.129 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.974 0.180 0.351 1.00 0.00 H new ATOM 140 N SER A 17 -7.752 0.241 -4.288 1.00 0.00 N ATOM 141 CA SER A 17 -7.158 0.174 -5.621 1.00 0.00 C ATOM 142 C SER A 17 -7.297 1.497 -6.373 1.00 0.00 C ATOM 143 O SER A 17 -6.533 1.777 -7.297 1.00 0.00 O ATOM 144 CB SER A 17 -7.808 -0.950 -6.430 1.00 0.00 C ATOM 145 OG SER A 17 -7.989 -2.111 -5.638 1.00 0.00 O ATOM 0 H SER A 17 -8.390 -0.526 -4.075 1.00 0.00 H new ATOM 0 HA SER A 17 -6.095 -0.030 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.771 -0.615 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.186 -1.188 -7.293 1.00 0.00 H new ATOM 0 HG SER A 17 -8.408 -2.813 -6.178 1.00 0.00 H new ATOM 151 N SER A 18 -8.281 2.301 -5.984 1.00 0.00 N ATOM 152 CA SER A 18 -8.523 3.583 -6.635 1.00 0.00 C ATOM 153 C SER A 18 -7.439 4.610 -6.305 1.00 0.00 C ATOM 154 O SER A 18 -7.116 5.461 -7.133 1.00 0.00 O ATOM 155 CB SER A 18 -9.892 4.130 -6.227 1.00 0.00 C ATOM 156 OG SER A 18 -10.041 5.482 -6.624 1.00 0.00 O ATOM 0 H SER A 18 -8.924 2.087 -5.221 1.00 0.00 H new ATOM 0 HA SER A 18 -8.500 3.409 -7.711 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.678 3.526 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.012 4.050 -5.147 1.00 0.00 H new ATOM 0 HG SER A 18 -10.925 5.807 -6.353 1.00 0.00 H new ATOM 162 N TYR A 19 -6.892 4.544 -5.094 1.00 0.00 N ATOM 163 CA TYR A 19 -5.863 5.496 -4.682 1.00 0.00 C ATOM 164 C TYR A 19 -4.456 5.000 -5.018 1.00 0.00 C ATOM 165 O TYR A 19 -3.661 5.730 -5.610 1.00 0.00 O ATOM 166 CB TYR A 19 -5.991 5.813 -3.183 1.00 0.00 C ATOM 167 CG TYR A 19 -5.242 4.868 -2.265 1.00 0.00 C ATOM 168 CD1 TYR A 19 -3.865 4.970 -2.101 1.00 0.00 C ATOM 169 CD2 TYR A 19 -5.915 3.883 -1.555 1.00 0.00 C ATOM 170 CE1 TYR A 19 -3.181 4.114 -1.259 1.00 0.00 C ATOM 171 CE2 TYR A 19 -5.238 3.025 -0.709 1.00 0.00 C ATOM 172 CZ TYR A 19 -3.872 3.144 -0.564 1.00 0.00 C ATOM 173 OH TYR A 19 -3.195 2.291 0.277 1.00 0.00 O ATOM 0 H TYR A 19 -7.140 3.851 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.021 6.415 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.631 6.827 -3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.047 5.799 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.321 5.731 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.985 3.786 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.111 4.204 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.777 2.264 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.829 1.668 0.691 1.00 0.00 H new ATOM 183 N LEU A 20 -4.149 3.766 -4.635 1.00 0.00 N ATOM 184 CA LEU A 20 -2.831 3.194 -4.898 1.00 0.00 C ATOM 185 C LEU A 20 -2.489 3.258 -6.385 1.00 0.00 C ATOM 186 O LEU A 20 -3.263 3.774 -7.190 1.00 0.00 O ATOM 187 CB LEU A 20 -2.773 1.744 -4.410 1.00 0.00 C ATOM 188 CG LEU A 20 -3.930 0.856 -4.870 1.00 0.00 C ATOM 189 CD1 LEU A 20 -3.929 0.717 -6.385 1.00 0.00 C ATOM 190 CD2 LEU A 20 -3.851 -0.510 -4.207 1.00 0.00 C ATOM 0 H LEU A 20 -4.790 3.144 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.095 3.784 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.838 1.300 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.748 1.745 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.865 1.329 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.760 0.082 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.037 1.701 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.990 0.268 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.682 -1.128 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.910 -0.990 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.904 -0.393 -3.125 1.00 0.00 H new ATOM 202 N GLU A 21 -1.324 2.724 -6.739 1.00 0.00 N ATOM 203 CA GLU A 21 -0.876 2.711 -8.127 1.00 0.00 C ATOM 204 C GLU A 21 -0.304 1.345 -8.492 1.00 0.00 C ATOM 205 O GLU A 21 -0.922 0.577 -9.228 1.00 0.00 O ATOM 206 CB GLU A 21 0.178 3.797 -8.356 1.00 0.00 C ATOM 207 CG GLU A 21 -0.354 5.209 -8.169 1.00 0.00 C ATOM 208 CD GLU A 21 0.743 6.256 -8.216 1.00 0.00 C ATOM 209 OE1 GLU A 21 1.876 5.948 -7.790 1.00 0.00 O ATOM 210 OE2 GLU A 21 0.468 7.383 -8.678 1.00 0.00 O ATOM 0 H GLU A 21 -0.672 2.294 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.736 2.912 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.009 3.636 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.576 3.698 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.089 5.422 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.873 5.274 -7.213 1.00 0.00 H new ATOM 217 N GLY A 22 0.878 1.048 -7.962 1.00 0.00 N ATOM 218 CA GLY A 22 1.517 -0.227 -8.230 1.00 0.00 C ATOM 219 C GLY A 22 1.863 -0.967 -6.953 1.00 0.00 C ATOM 220 O GLY A 22 3.022 -1.308 -6.719 1.00 0.00 O ATOM 0 H GLY A 22 1.406 1.670 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.855 -0.843 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.424 -0.063 -8.811 1.00 0.00 H new ATOM 224 N GLN A 23 0.850 -1.204 -6.123 1.00 0.00 N ATOM 225 CA GLN A 23 1.032 -1.896 -4.847 1.00 0.00 C ATOM 226 C GLN A 23 1.981 -3.086 -4.974 1.00 0.00 C ATOM 227 O GLN A 23 2.689 -3.424 -4.026 1.00 0.00 O ATOM 228 CB GLN A 23 -0.320 -2.366 -4.307 1.00 0.00 C ATOM 229 CG GLN A 23 -0.227 -3.067 -2.961 1.00 0.00 C ATOM 230 CD GLN A 23 -0.639 -4.525 -3.032 1.00 0.00 C ATOM 231 OE1 GLN A 23 -1.782 -4.874 -2.739 1.00 0.00 O ATOM 232 NE2 GLN A 23 0.295 -5.385 -3.421 1.00 0.00 N ATOM 0 H GLN A 23 -0.113 -0.925 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 23 1.479 -1.187 -4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.984 -1.506 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.775 -3.044 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.796 -3.000 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.861 -2.549 -2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.230 -5.051 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.077 -6.379 -3.486 1.00 0.00 H new ATOM 241 N ALA A 24 1.994 -3.718 -6.144 1.00 0.00 N ATOM 242 CA ALA A 24 2.861 -4.870 -6.384 1.00 0.00 C ATOM 243 C ALA A 24 4.278 -4.613 -5.878 1.00 0.00 C ATOM 244 O ALA A 24 4.778 -5.329 -5.011 1.00 0.00 O ATOM 245 CB ALA A 24 2.883 -5.214 -7.864 1.00 0.00 C ATOM 0 H ALA A 24 1.415 -3.453 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 24 2.456 -5.716 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.533 -6.074 -8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.873 -5.453 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.259 -4.362 -8.430 1.00 0.00 H new ATOM 251 N ALA A 25 4.915 -3.580 -6.419 1.00 0.00 N ATOM 252 CA ALA A 25 6.268 -3.221 -6.016 1.00 0.00 C ATOM 253 C ALA A 25 6.241 -2.286 -4.816 1.00 0.00 C ATOM 254 O ALA A 25 6.977 -2.479 -3.850 1.00 0.00 O ATOM 255 CB ALA A 25 7.011 -2.578 -7.176 1.00 0.00 C ATOM 0 H ALA A 25 4.515 -2.977 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 25 6.795 -4.131 -5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.021 -2.315 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.062 -3.279 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.483 -1.678 -7.492 1.00 0.00 H new ATOM 261 N LYS A 26 5.379 -1.275 -4.879 1.00 0.00 N ATOM 262 CA LYS A 26 5.251 -0.311 -3.790 1.00 0.00 C ATOM 263 C LYS A 26 5.083 -1.017 -2.446 1.00 0.00 C ATOM 264 O LYS A 26 5.400 -0.455 -1.401 1.00 0.00 O ATOM 265 CB LYS A 26 4.067 0.629 -4.041 1.00 0.00 C ATOM 266 CG LYS A 26 4.108 1.342 -5.388 1.00 0.00 C ATOM 267 CD LYS A 26 5.531 1.650 -5.833 1.00 0.00 C ATOM 268 CE LYS A 26 6.259 2.522 -4.823 1.00 0.00 C ATOM 269 NZ LYS A 26 7.710 2.376 -4.918 1.00 0.00 N ATOM 0 H LYS A 26 4.760 -1.102 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 26 6.168 0.277 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.142 0.056 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.037 1.376 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.620 0.722 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.541 2.270 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.079 0.718 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.509 2.153 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.988 3.566 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.933 2.260 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.026 1.622 -4.275 1.00 0.00 H new ATOM 281 N GLU A 27 4.587 -2.254 -2.483 1.00 0.00 N ATOM 282 CA GLU A 27 4.382 -3.041 -1.267 1.00 0.00 C ATOM 283 C GLU A 27 5.566 -2.906 -0.313 1.00 0.00 C ATOM 284 O GLU A 27 5.407 -2.974 0.906 1.00 0.00 O ATOM 285 CB GLU A 27 4.180 -4.516 -1.623 1.00 0.00 C ATOM 286 CG GLU A 27 5.412 -5.171 -2.224 1.00 0.00 C ATOM 287 CD GLU A 27 5.176 -6.619 -2.605 1.00 0.00 C ATOM 288 OE1 GLU A 27 4.004 -6.991 -2.826 1.00 0.00 O ATOM 289 OE2 GLU A 27 6.162 -7.381 -2.683 1.00 0.00 O ATOM 0 H GLU A 27 4.320 -2.733 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 27 3.492 -2.658 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.890 -5.061 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.353 -4.601 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.721 -4.613 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.233 -5.117 -1.509 1.00 0.00 H new ATOM 296 N PHE A 28 6.753 -2.719 -0.880 1.00 0.00 N ATOM 297 CA PHE A 28 7.965 -2.581 -0.085 1.00 0.00 C ATOM 298 C PHE A 28 7.925 -1.311 0.765 1.00 0.00 C ATOM 299 O PHE A 28 8.343 -1.316 1.922 1.00 0.00 O ATOM 300 CB PHE A 28 9.200 -2.594 -1.002 1.00 0.00 C ATOM 301 CG PHE A 28 9.555 -1.257 -1.600 1.00 0.00 C ATOM 302 CD1 PHE A 28 10.078 -0.243 -0.813 1.00 0.00 C ATOM 303 CD2 PHE A 28 9.367 -1.020 -2.952 1.00 0.00 C ATOM 304 CE1 PHE A 28 10.405 0.982 -1.363 1.00 0.00 C ATOM 305 CE2 PHE A 28 9.692 0.203 -3.507 1.00 0.00 C ATOM 306 CZ PHE A 28 10.211 1.205 -2.711 1.00 0.00 C ATOM 0 H PHE A 28 6.900 -2.660 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 28 8.030 -3.428 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.054 -2.960 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.028 -3.304 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.232 -0.412 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.962 -1.800 -3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.812 1.764 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.540 0.375 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.465 2.162 -3.143 1.00 0.00 H new ATOM 316 N ILE A 29 7.420 -0.224 0.184 1.00 0.00 N ATOM 317 CA ILE A 29 7.330 1.051 0.892 1.00 0.00 C ATOM 318 C ILE A 29 6.697 0.876 2.272 1.00 0.00 C ATOM 319 O ILE A 29 7.005 1.616 3.205 1.00 0.00 O ATOM 320 CB ILE A 29 6.521 2.091 0.083 1.00 0.00 C ATOM 321 CG1 ILE A 29 6.757 3.496 0.639 1.00 0.00 C ATOM 322 CG2 ILE A 29 5.035 1.756 0.092 1.00 0.00 C ATOM 323 CD1 ILE A 29 6.499 4.596 -0.368 1.00 0.00 C ATOM 0 H ILE A 29 7.068 -0.201 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 29 8.349 1.417 1.014 1.00 0.00 H new ATOM 0 HB ILE A 29 6.866 2.061 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.112 3.648 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.786 3.571 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.490 2.504 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.881 0.772 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.669 1.752 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.686 5.565 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.162 4.469 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.463 4.548 -0.702 1.00 0.00 H new ATOM 335 N ALA A 30 5.814 -0.109 2.391 1.00 0.00 N ATOM 336 CA ALA A 30 5.138 -0.383 3.653 1.00 0.00 C ATOM 337 C ALA A 30 6.138 -0.673 4.768 1.00 0.00 C ATOM 338 O ALA A 30 5.835 -0.494 5.947 1.00 0.00 O ATOM 339 CB ALA A 30 4.177 -1.552 3.490 1.00 0.00 C ATOM 0 H ALA A 30 5.549 -0.732 1.628 1.00 0.00 H new ATOM 0 HA ALA A 30 4.574 0.507 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.678 -1.748 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.433 -1.308 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.731 -2.439 3.182 1.00 0.00 H new ATOM 345 N TRP A 31 7.330 -1.126 4.390 1.00 0.00 N ATOM 346 CA TRP A 31 8.369 -1.444 5.363 1.00 0.00 C ATOM 347 C TRP A 31 8.976 -0.168 5.952 1.00 0.00 C ATOM 348 O TRP A 31 8.909 0.059 7.160 1.00 0.00 O ATOM 349 CB TRP A 31 9.447 -2.333 4.711 1.00 0.00 C ATOM 350 CG TRP A 31 10.840 -1.773 4.762 1.00 0.00 C ATOM 351 CD1 TRP A 31 11.595 -1.550 5.878 1.00 0.00 C ATOM 352 CD2 TRP A 31 11.642 -1.366 3.647 1.00 0.00 C ATOM 353 NE1 TRP A 31 12.815 -1.024 5.525 1.00 0.00 N ATOM 354 CE2 TRP A 31 12.868 -0.903 4.161 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.443 -1.347 2.263 1.00 0.00 C ATOM 356 CZ2 TRP A 31 13.887 -0.427 3.340 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.456 -0.875 1.450 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.664 -0.421 1.990 1.00 0.00 C ATOM 0 H TRP A 31 7.600 -1.281 3.419 1.00 0.00 H new ATOM 0 HA TRP A 31 7.921 -1.999 6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.443 -3.305 5.204 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.177 -2.503 3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.280 -1.757 6.890 1.00 0.00 H new ATOM 0 HE1 TRP A 31 13.559 -0.766 6.173 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.514 -1.695 1.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.820 -0.075 3.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.313 -0.856 0.380 1.00 0.00 H new ATOM 0 HH2 TRP A 31 14.436 -0.058 1.328 1.00 0.00 H new ATOM 369 N LEU A 32 9.576 0.654 5.096 1.00 0.00 N ATOM 370 CA LEU A 32 10.201 1.897 5.543 1.00 0.00 C ATOM 371 C LEU A 32 9.191 2.808 6.236 1.00 0.00 C ATOM 372 O LEU A 32 9.537 3.530 7.171 1.00 0.00 O ATOM 373 CB LEU A 32 10.849 2.632 4.366 1.00 0.00 C ATOM 374 CG LEU A 32 10.077 2.568 3.045 1.00 0.00 C ATOM 375 CD1 LEU A 32 9.628 3.957 2.618 1.00 0.00 C ATOM 376 CD2 LEU A 32 10.930 1.925 1.960 1.00 0.00 C ATOM 0 H LEU A 32 9.643 0.484 4.093 1.00 0.00 H new ATOM 0 HA LEU A 32 10.975 1.634 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.979 3.679 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.845 2.219 4.206 1.00 0.00 H new ATOM 0 HG LEU A 32 9.190 1.953 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.081 3.890 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.980 4.382 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.501 4.597 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.366 1.888 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.836 2.513 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.200 0.913 2.262 1.00 0.00 H new ATOM 388 N VAL A 33 7.943 2.771 5.779 1.00 0.00 N ATOM 389 CA VAL A 33 6.894 3.597 6.367 1.00 0.00 C ATOM 390 C VAL A 33 6.715 3.278 7.850 1.00 0.00 C ATOM 391 O VAL A 33 6.266 4.122 8.626 1.00 0.00 O ATOM 392 CB VAL A 33 5.547 3.408 5.639 1.00 0.00 C ATOM 393 CG1 VAL A 33 4.456 4.247 6.290 1.00 0.00 C ATOM 394 CG2 VAL A 33 5.683 3.760 4.165 1.00 0.00 C ATOM 0 H VAL A 33 7.634 2.181 5.007 1.00 0.00 H new ATOM 0 HA VAL A 33 7.208 4.635 6.256 1.00 0.00 H new ATOM 0 HB VAL A 33 5.262 2.359 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.516 4.097 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.337 3.945 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.733 5.300 6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.723 3.621 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.995 4.800 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.428 3.112 3.703 1.00 0.00 H new ATOM 404 N ARG A 34 7.071 2.057 8.237 1.00 0.00 N ATOM 405 CA ARG A 34 6.950 1.630 9.626 1.00 0.00 C ATOM 406 C ARG A 34 8.290 1.744 10.347 1.00 0.00 C ATOM 407 O ARG A 34 8.587 0.967 11.253 1.00 0.00 O ATOM 408 CB ARG A 34 6.436 0.189 9.694 1.00 0.00 C ATOM 409 CG ARG A 34 5.096 0.055 10.397 1.00 0.00 C ATOM 410 CD ARG A 34 4.664 -1.399 10.501 1.00 0.00 C ATOM 411 NE ARG A 34 4.293 -1.953 9.201 1.00 0.00 N ATOM 412 CZ ARG A 34 3.157 -1.667 8.569 1.00 0.00 C ATOM 413 NH1 ARG A 34 2.279 -0.834 9.113 1.00 0.00 N ATOM 414 NH2 ARG A 34 2.899 -2.215 7.389 1.00 0.00 N ATOM 0 H ARG A 34 7.445 1.346 7.608 1.00 0.00 H new ATOM 0 HA ARG A 34 6.235 2.285 10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.347 -0.204 8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.172 -0.427 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.163 0.488 11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.340 0.622 9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.475 -1.989 10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.818 -1.478 11.184 1.00 0.00 H new ATOM 0 HE ARG A 34 4.943 -2.597 8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.473 -0.409 10.020 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.410 -0.618 8.624 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.571 -2.855 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.029 -1.996 6.904 1.00 0.00 H new ATOM 428 N GLY A 35 9.096 2.719 9.936 1.00 0.00 N ATOM 429 CA GLY A 35 10.395 2.918 10.553 1.00 0.00 C ATOM 430 C GLY A 35 11.531 2.809 9.555 1.00 0.00 C ATOM 431 O GLY A 35 11.959 1.708 9.209 1.00 0.00 O ATOM 0 H GLY A 35 8.873 3.374 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.423 3.900 11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.536 2.180 11.342 1.00 0.00 H new ATOM 435 N ARG A 36 12.021 3.954 9.091 1.00 0.00 N ATOM 436 CA ARG A 36 13.114 3.983 8.126 1.00 0.00 C ATOM 437 C ARG A 36 14.208 4.947 8.571 1.00 0.00 C ATOM 438 O ARG A 36 15.300 4.528 8.956 1.00 0.00 O ATOM 439 CB ARG A 36 12.591 4.389 6.746 1.00 0.00 C ATOM 440 CG ARG A 36 13.667 4.420 5.673 1.00 0.00 C ATOM 441 CD ARG A 36 13.136 4.997 4.371 1.00 0.00 C ATOM 442 NE ARG A 36 14.186 5.649 3.592 1.00 0.00 N ATOM 443 CZ ARG A 36 13.951 6.522 2.615 1.00 0.00 C ATOM 444 NH1 ARG A 36 12.706 6.851 2.295 1.00 0.00 N ATOM 445 NH2 ARG A 36 14.964 7.069 1.957 1.00 0.00 N ATOM 0 H ARG A 36 11.678 4.874 9.368 1.00 0.00 H new ATOM 0 HA ARG A 36 13.540 2.982 8.067 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.808 3.693 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.131 5.375 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.511 5.016 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.040 3.410 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.687 4.200 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.347 5.716 4.589 1.00 0.00 H new ATOM 0 HE ARG A 36 15.156 5.422 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.923 6.434 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.532 7.521 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.923 6.821 2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.784 7.738 1.208 1.00 0.00 H new ATOM 459 N GLY A 37 13.909 6.241 8.514 1.00 0.00 N ATOM 460 CA GLY A 37 14.878 7.245 8.913 1.00 0.00 C ATOM 461 C GLY A 37 14.537 7.882 10.246 1.00 0.00 C ATOM 462 O GLY A 37 15.472 8.309 10.956 1.00 0.00 O ATOM 463 OXT GLY A 37 13.336 7.954 10.580 1.00 0.00 O ATOM 0 H GLY A 37 13.013 6.612 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.866 6.788 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.931 8.019 8.147 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 13.351 -1.392 -6.153 1.00 0.00 O HETATM 469 C02 D6M A1038 12.862 -0.775 -5.206 1.00 0.00 C HETATM 470 N03 D6M A1038 12.101 0.295 -5.423 1.00 0.00 N HETATM 471 C04 D6M A1038 11.819 0.770 -6.774 1.00 0.00 C HETATM 472 C05 D6M A1038 10.333 1.108 -6.921 1.00 0.00 C HETATM 473 C06 D6M A1038 9.895 2.312 -6.100 1.00 0.00 C HETATM 474 C07 D6M A1038 8.387 2.473 -6.058 1.00 0.00 C HETATM 475 O08 D6M A1038 7.796 2.697 -7.114 1.00 0.00 O HETATM 476 C09 D6M A1038 12.669 1.991 -7.110 1.00 0.00 C HETATM 477 O10 D6M A1038 13.144 2.658 -6.167 1.00 0.00 O HETATM 478 O11 D6M A1038 12.852 2.270 -8.314 1.00 0.00 O HETATM 479 C12 D6M A1038 13.127 -1.287 -3.803 1.00 0.00 C HETATM 480 C13 D6M A1038 14.075 -0.391 -3.022 1.00 0.00 C HETATM 481 C14 D6M A1038 13.317 0.552 -2.101 1.00 0.00 C HETATM 482 C15 D6M A1038 14.263 1.413 -1.280 1.00 0.00 C HETATM 483 C16 D6M A1038 13.563 2.013 -0.070 1.00 0.00 C HETATM 484 C17 D6M A1038 13.342 3.509 -0.235 1.00 0.00 C HETATM 485 C18 D6M A1038 12.345 3.812 -1.344 1.00 0.00 C HETATM 486 C19 D6M A1038 11.044 4.377 -0.793 1.00 0.00 C HETATM 487 C20 D6M A1038 11.282 5.646 0.013 1.00 0.00 C HETATM 488 C21 D6M A1038 10.234 6.705 -0.289 1.00 0.00 C HETATM 489 C22 D6M A1038 8.904 6.375 0.369 1.00 0.00 C HETATM 490 C23 D6M A1038 8.860 6.854 1.811 1.00 0.00 C HETATM 491 C24 D6M A1038 7.593 6.391 2.513 1.00 0.00 C HETATM 492 C25 D6M A1038 6.469 7.401 2.355 1.00 0.00 C HETATM 493 C26 D6M A1038 5.349 7.151 3.342 1.00 0.00 C HETATM 0 H263 D6M A1038 4.939 6.154 3.182 1.00 0.00 H new HETATM 0 H262 D6M A1038 5.736 7.225 4.358 1.00 0.00 H new HETATM 0 H261 D6M A1038 4.564 7.894 3.198 1.00 0.00 H new HETATM 0 H252 D6M A1038 6.862 8.408 2.498 1.00 0.00 H new HETATM 0 H251 D6M A1038 6.076 7.353 1.339 1.00 0.00 H new HETATM 0 H242 D6M A1038 7.280 5.430 2.105 1.00 0.00 H new HETATM 0 H241 D6M A1038 7.798 6.236 3.572 1.00 0.00 H new HETATM 0 H232 D6M A1038 9.732 6.479 2.347 1.00 0.00 H new HETATM 0 H231 D6M A1038 8.914 7.942 1.836 1.00 0.00 H new HETATM 0 H222 D6M A1038 8.094 6.838 -0.194 1.00 0.00 H new HETATM 0 H221 D6M A1038 8.739 5.298 0.337 1.00 0.00 H new HETATM 0 H212 D6M A1038 10.584 7.676 0.062 1.00 0.00 H new HETATM 0 H211 D6M A1038 10.098 6.786 -1.367 1.00 0.00 H new HETATM 0 H202 D6M A1038 11.266 5.410 1.077 1.00 0.00 H new HETATM 0 H201 D6M A1038 12.273 6.040 -0.211 1.00 0.00 H new HETATM 0 H192 D6M A1038 10.362 4.590 -1.616 1.00 0.00 H new HETATM 0 H191 D6M A1038 10.560 3.630 -0.163 1.00 0.00 H new HETATM 0 H182 D6M A1038 12.784 4.524 -2.043 1.00 0.00 H new HETATM 0 H181 D6M A1038 12.137 2.901 -1.905 1.00 0.00 H new HETATM 0 H172 D6M A1038 12.981 3.929 0.704 1.00 0.00 H new HETATM 0 H171 D6M A1038 14.292 3.995 -0.457 1.00 0.00 H new HETATM 0 H162 D6M A1038 12.604 1.517 0.079 1.00 0.00 H new HETATM 0 H161 D6M A1038 14.159 1.829 0.824 1.00 0.00 H new HETATM 0 H152 D6M A1038 15.110 0.812 -0.950 1.00 0.00 H new HETATM 0 H151 D6M A1038 14.663 2.212 -1.904 1.00 0.00 H new HETATM 0 H142 D6M A1038 12.663 1.192 -2.693 1.00 0.00 H new HETATM 0 H141 D6M A1038 12.678 -0.026 -1.433 1.00 0.00 H new HETATM 0 H132 D6M A1038 14.757 -1.005 -2.434 1.00 0.00 H new HETATM 0 H131 D6M A1038 14.685 0.188 -3.716 1.00 0.00 H new HETATM 0 H122 D6M A1038 12.182 -1.366 -3.265 1.00 0.00 H new HETATM 0 H121 D6M A1038 13.547 -2.291 -3.860 1.00 0.00 H new HETATM 0 H062 D6M A1038 10.274 2.211 -5.083 1.00 0.00 H new HETATM 0 H061 D6M A1038 10.341 3.214 -6.518 1.00 0.00 H new HETATM 0 H052 D6M A1038 10.115 1.297 -7.972 1.00 0.00 H new HETATM 0 H051 D6M A1038 9.741 0.242 -6.624 1.00 0.00 H new HETATM 0 H11 D6M A1038 13.410 3.073 -8.383 1.00 0.00 H new HETATM 0 H04 D6M A1038 12.071 -0.028 -7.473 1.00 0.00 H new HETATM 0 H03 D6M A1038 11.706 0.795 -4.627 1.00 0.00 H new