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 HZ3 : A 26 LYS NZ : A1038 D6M C07 :(NH2R) USER MOD Single : A 7 HIS : no HD1:sc= -0.0825 X(o=-0.082,f=-0.0028) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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 9:sc= 0.244 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.253 USER MOD Single : A 23 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.43) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1038 D6M O11 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 7 -29.230 -3.459 1.142 1.00 0.00 N ATOM 2 CA HIS A 7 -28.701 -2.841 2.386 1.00 0.00 C ATOM 3 C HIS A 7 -27.916 -1.570 2.080 1.00 0.00 C ATOM 4 O HIS A 7 -27.132 -1.525 1.132 1.00 0.00 O ATOM 5 CB HIS A 7 -27.802 -3.859 3.091 1.00 0.00 C ATOM 6 CG HIS A 7 -28.538 -4.743 4.050 1.00 0.00 C ATOM 7 ND1 HIS A 7 -28.368 -6.111 4.095 1.00 0.00 N ATOM 8 CD2 HIS A 7 -29.450 -4.448 5.006 1.00 0.00 C ATOM 9 CE1 HIS A 7 -29.144 -6.619 5.036 1.00 0.00 C ATOM 10 NE2 HIS A 7 -29.810 -5.631 5.604 1.00 0.00 N ATOM 0 HA HIS A 7 -29.535 -2.564 3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.311 -4.479 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -27.017 -3.327 3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -29.825 -3.466 5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -29.220 -7.664 5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -30.483 -5.730 6.364 1.00 0.00 H new ATOM 21 N ALA A 8 -28.134 -0.537 2.887 1.00 0.00 N ATOM 22 CA ALA A 8 -27.448 0.736 2.703 1.00 0.00 C ATOM 23 C ALA A 8 -26.364 0.933 3.757 1.00 0.00 C ATOM 24 O ALA A 8 -26.655 1.261 4.907 1.00 0.00 O ATOM 25 CB ALA A 8 -28.445 1.883 2.748 1.00 0.00 C ATOM 0 H ALA A 8 -28.781 -0.557 3.675 1.00 0.00 H new ATOM 0 HA ALA A 8 -26.968 0.724 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -27.919 2.828 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.181 1.757 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.951 1.888 3.713 1.00 0.00 H new ATOM 31 N GLU A 9 -25.113 0.730 3.357 1.00 0.00 N ATOM 32 CA GLU A 9 -23.985 0.885 4.267 1.00 0.00 C ATOM 33 C GLU A 9 -22.725 1.290 3.507 1.00 0.00 C ATOM 34 O GLU A 9 -22.550 0.935 2.342 1.00 0.00 O ATOM 35 CB GLU A 9 -23.736 -0.416 5.032 1.00 0.00 C ATOM 36 CG GLU A 9 -23.347 -1.582 4.139 1.00 0.00 C ATOM 37 CD GLU A 9 -23.152 -2.870 4.915 1.00 0.00 C ATOM 38 OE1 GLU A 9 -24.030 -3.207 5.737 1.00 0.00 O ATOM 39 OE2 GLU A 9 -22.121 -3.542 4.701 1.00 0.00 O ATOM 0 H GLU A 9 -24.855 0.458 2.408 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.230 1.675 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.946 -0.251 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.636 -0.679 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.119 -1.730 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.426 -1.338 3.609 1.00 0.00 H new ATOM 46 N GLY A 10 -21.852 2.036 4.176 1.00 0.00 N ATOM 47 CA GLY A 10 -20.620 2.476 3.548 1.00 0.00 C ATOM 48 C GLY A 10 -19.458 1.546 3.833 1.00 0.00 C ATOM 49 O GLY A 10 -19.569 0.636 4.654 1.00 0.00 O ATOM 0 H GLY A 10 -21.975 2.343 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.770 2.545 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.374 3.478 3.900 1.00 0.00 H new ATOM 53 N THR A 11 -18.339 1.774 3.152 1.00 0.00 N ATOM 54 CA THR A 11 -17.151 0.949 3.335 1.00 0.00 C ATOM 55 C THR A 11 -15.895 1.702 2.910 1.00 0.00 C ATOM 56 O THR A 11 -15.948 2.583 2.052 1.00 0.00 O ATOM 57 CB THR A 11 -17.277 -0.348 2.535 1.00 0.00 C ATOM 58 OG1 THR A 11 -16.171 -1.198 2.781 1.00 0.00 O ATOM 59 CG2 THR A 11 -17.360 -0.124 1.040 1.00 0.00 C ATOM 0 H THR A 11 -18.231 2.523 2.469 1.00 0.00 H new ATOM 0 HA THR A 11 -17.067 0.707 4.395 1.00 0.00 H new ATOM 0 HB THR A 11 -18.209 -0.804 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.271 -2.023 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.448 -1.085 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.232 0.488 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.459 0.386 0.698 1.00 0.00 H new ATOM 67 N PHE A 12 -14.766 1.351 3.518 1.00 0.00 N ATOM 68 CA PHE A 12 -13.496 1.995 3.202 1.00 0.00 C ATOM 69 C PHE A 12 -12.380 0.965 3.050 1.00 0.00 C ATOM 70 O PHE A 12 -11.564 1.053 2.132 1.00 0.00 O ATOM 71 CB PHE A 12 -13.129 3.005 4.291 1.00 0.00 C ATOM 72 CG PHE A 12 -12.867 2.378 5.631 1.00 0.00 C ATOM 73 CD1 PHE A 12 -13.893 1.777 6.343 1.00 0.00 C ATOM 74 CD2 PHE A 12 -11.594 2.389 6.179 1.00 0.00 C ATOM 75 CE1 PHE A 12 -13.654 1.199 7.575 1.00 0.00 C ATOM 76 CE2 PHE A 12 -11.349 1.813 7.411 1.00 0.00 C ATOM 77 CZ PHE A 12 -12.381 1.218 8.110 1.00 0.00 C ATOM 0 H PHE A 12 -14.705 0.625 4.232 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.611 2.518 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.243 3.557 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.938 3.729 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.891 1.760 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.784 2.853 5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.462 0.733 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.352 1.828 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.193 0.768 9.074 1.00 0.00 H new ATOM 87 N THR A 13 -12.350 -0.009 3.956 1.00 0.00 N ATOM 88 CA THR A 13 -11.332 -1.059 3.929 1.00 0.00 C ATOM 89 C THR A 13 -11.156 -1.627 2.523 1.00 0.00 C ATOM 90 O THR A 13 -10.073 -2.084 2.159 1.00 0.00 O ATOM 91 CB THR A 13 -11.706 -2.181 4.898 1.00 0.00 C ATOM 92 OG1 THR A 13 -10.690 -3.167 4.939 1.00 0.00 O ATOM 93 CG2 THR A 13 -13.003 -2.873 4.541 1.00 0.00 C ATOM 0 H THR A 13 -13.020 -0.094 4.720 1.00 0.00 H new ATOM 0 HA THR A 13 -10.386 -0.614 4.237 1.00 0.00 H new ATOM 0 HB THR A 13 -11.827 -1.697 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.947 -3.876 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.209 -3.658 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.817 -2.148 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.919 -3.313 3.547 1.00 0.00 H new ATOM 101 N SER A 14 -12.227 -1.596 1.737 1.00 0.00 N ATOM 102 CA SER A 14 -12.187 -2.108 0.373 1.00 0.00 C ATOM 103 C SER A 14 -11.488 -1.123 -0.560 1.00 0.00 C ATOM 104 O SER A 14 -10.605 -1.502 -1.329 1.00 0.00 O ATOM 105 CB SER A 14 -13.604 -2.390 -0.131 1.00 0.00 C ATOM 106 OG SER A 14 -13.982 -3.730 0.133 1.00 0.00 O ATOM 0 H SER A 14 -13.132 -1.222 2.021 1.00 0.00 H new ATOM 0 HA SER A 14 -11.619 -3.039 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.307 -1.709 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.657 -2.198 -1.203 1.00 0.00 H new ATOM 0 HG SER A 14 -14.892 -3.884 -0.197 1.00 0.00 H new ATOM 112 N ASP A 15 -11.890 0.141 -0.486 1.00 0.00 N ATOM 113 CA ASP A 15 -11.302 1.180 -1.324 1.00 0.00 C ATOM 114 C ASP A 15 -9.842 1.421 -0.954 1.00 0.00 C ATOM 115 O ASP A 15 -9.031 1.798 -1.801 1.00 0.00 O ATOM 116 CB ASP A 15 -12.095 2.482 -1.189 1.00 0.00 C ATOM 117 CG ASP A 15 -13.588 2.267 -1.338 1.00 0.00 C ATOM 118 OD1 ASP A 15 -13.997 1.590 -2.305 1.00 0.00 O ATOM 119 OD2 ASP A 15 -14.349 2.777 -0.489 1.00 0.00 O ATOM 0 H ASP A 15 -12.620 0.471 0.145 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.343 0.841 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.890 2.930 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.756 3.191 -1.944 1.00 0.00 H new ATOM 124 N VAL A 16 -9.513 1.202 0.314 1.00 0.00 N ATOM 125 CA VAL A 16 -8.150 1.396 0.795 1.00 0.00 C ATOM 126 C VAL A 16 -7.161 0.517 0.034 1.00 0.00 C ATOM 127 O VAL A 16 -5.975 0.830 -0.049 1.00 0.00 O ATOM 128 CB VAL A 16 -8.037 1.089 2.301 1.00 0.00 C ATOM 129 CG1 VAL A 16 -6.653 1.452 2.818 1.00 0.00 C ATOM 130 CG2 VAL A 16 -9.118 1.826 3.079 1.00 0.00 C ATOM 0 H VAL A 16 -10.172 0.890 1.028 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.904 2.444 0.623 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.184 0.019 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.592 1.228 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.901 0.873 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.473 2.515 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.022 1.597 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.007 2.900 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.100 1.510 2.727 1.00 0.00 H new ATOM 140 N SER A 17 -7.654 -0.588 -0.513 1.00 0.00 N ATOM 141 CA SER A 17 -6.809 -1.513 -1.261 1.00 0.00 C ATOM 142 C SER A 17 -6.768 -1.158 -2.748 1.00 0.00 C ATOM 143 O SER A 17 -5.869 -1.588 -3.471 1.00 0.00 O ATOM 144 CB SER A 17 -7.310 -2.947 -1.084 1.00 0.00 C ATOM 145 OG SER A 17 -7.638 -3.209 0.270 1.00 0.00 O ATOM 0 H SER A 17 -8.634 -0.866 -0.453 1.00 0.00 H new ATOM 0 HA SER A 17 -5.797 -1.431 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.186 -3.110 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.544 -3.647 -1.418 1.00 0.00 H new ATOM 0 HG SER A 17 -7.957 -4.131 0.357 1.00 0.00 H new ATOM 151 N SER A 18 -7.756 -0.393 -3.204 1.00 0.00 N ATOM 152 CA SER A 18 -7.837 -0.008 -4.610 1.00 0.00 C ATOM 153 C SER A 18 -7.023 1.249 -4.915 1.00 0.00 C ATOM 154 O SER A 18 -6.580 1.443 -6.047 1.00 0.00 O ATOM 155 CB SER A 18 -9.297 0.214 -5.009 1.00 0.00 C ATOM 156 OG SER A 18 -9.949 1.080 -4.096 1.00 0.00 O ATOM 0 H SER A 18 -8.510 -0.028 -2.622 1.00 0.00 H new ATOM 0 HA SER A 18 -7.412 -0.825 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.343 0.637 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.818 -0.743 -5.043 1.00 0.00 H new ATOM 0 HG SER A 18 -9.288 1.471 -3.487 1.00 0.00 H new ATOM 162 N TYR A 19 -6.838 2.109 -3.918 1.00 0.00 N ATOM 163 CA TYR A 19 -6.086 3.345 -4.121 1.00 0.00 C ATOM 164 C TYR A 19 -4.618 3.058 -4.438 1.00 0.00 C ATOM 165 O TYR A 19 -3.950 3.856 -5.095 1.00 0.00 O ATOM 166 CB TYR A 19 -6.208 4.265 -2.895 1.00 0.00 C ATOM 167 CG TYR A 19 -5.139 4.060 -1.840 1.00 0.00 C ATOM 168 CD1 TYR A 19 -3.855 4.561 -2.016 1.00 0.00 C ATOM 169 CD2 TYR A 19 -5.418 3.372 -0.668 1.00 0.00 C ATOM 170 CE1 TYR A 19 -2.880 4.380 -1.054 1.00 0.00 C ATOM 171 CE2 TYR A 19 -4.449 3.187 0.300 1.00 0.00 C ATOM 172 CZ TYR A 19 -3.182 3.692 0.102 1.00 0.00 C ATOM 173 OH TYR A 19 -2.214 3.510 1.063 1.00 0.00 O ATOM 0 H TYR A 19 -7.194 1.976 -2.971 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.517 3.858 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.174 5.301 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.185 4.110 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.615 5.101 -2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.409 2.974 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.887 4.775 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.683 2.649 1.207 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.590 3.006 1.815 1.00 0.00 H new ATOM 183 N LEU A 20 -4.121 1.918 -3.968 1.00 0.00 N ATOM 184 CA LEU A 20 -2.732 1.539 -4.205 1.00 0.00 C ATOM 185 C LEU A 20 -2.568 0.883 -5.573 1.00 0.00 C ATOM 186 O LEU A 20 -1.780 1.340 -6.400 1.00 0.00 O ATOM 187 CB LEU A 20 -2.243 0.588 -3.111 1.00 0.00 C ATOM 188 CG LEU A 20 -2.734 0.917 -1.698 1.00 0.00 C ATOM 189 CD1 LEU A 20 -3.716 -0.138 -1.215 1.00 0.00 C ATOM 190 CD2 LEU A 20 -1.560 1.034 -0.737 1.00 0.00 C ATOM 0 H LEU A 20 -4.657 1.243 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.130 2.447 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.560 -0.424 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.153 0.590 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.249 1.877 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.054 0.113 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.573 -0.173 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.226 -1.112 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.929 1.268 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.016 0.090 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.893 1.828 -1.073 1.00 0.00 H new ATOM 202 N GLU A 21 -3.314 -0.193 -5.802 1.00 0.00 N ATOM 203 CA GLU A 21 -3.247 -0.914 -7.069 1.00 0.00 C ATOM 204 C GLU A 21 -1.858 -1.506 -7.283 1.00 0.00 C ATOM 205 O GLU A 21 -1.401 -1.648 -8.417 1.00 0.00 O ATOM 206 CB GLU A 21 -3.601 0.015 -8.232 1.00 0.00 C ATOM 207 CG GLU A 21 -4.980 0.644 -8.111 1.00 0.00 C ATOM 208 CD GLU A 21 -5.582 0.994 -9.458 1.00 0.00 C ATOM 209 OE1 GLU A 21 -5.496 0.158 -10.382 1.00 0.00 O ATOM 210 OE2 GLU A 21 -6.139 2.104 -9.588 1.00 0.00 O ATOM 0 H GLU A 21 -3.971 -0.585 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.971 -1.728 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.854 0.806 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.548 -0.547 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.644 -0.044 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.912 1.546 -7.502 1.00 0.00 H new ATOM 217 N GLY A 22 -1.191 -1.848 -6.186 1.00 0.00 N ATOM 218 CA GLY A 22 0.140 -2.419 -6.275 1.00 0.00 C ATOM 219 C GLY A 22 0.865 -2.407 -4.944 1.00 0.00 C ATOM 220 O GLY A 22 2.026 -2.007 -4.865 1.00 0.00 O ATOM 0 H GLY A 22 -1.548 -1.740 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.069 -3.445 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.723 -1.862 -7.008 1.00 0.00 H new ATOM 224 N GLN A 23 0.178 -2.848 -3.896 1.00 0.00 N ATOM 225 CA GLN A 23 0.761 -2.886 -2.560 1.00 0.00 C ATOM 226 C GLN A 23 2.004 -3.772 -2.529 1.00 0.00 C ATOM 227 O GLN A 23 2.897 -3.575 -1.704 1.00 0.00 O ATOM 228 CB GLN A 23 -0.266 -3.396 -1.548 1.00 0.00 C ATOM 229 CG GLN A 23 -0.847 -4.755 -1.904 1.00 0.00 C ATOM 230 CD GLN A 23 -0.179 -5.890 -1.154 1.00 0.00 C ATOM 231 OE1 GLN A 23 0.564 -6.682 -1.735 1.00 0.00 O ATOM 232 NE2 GLN A 23 -0.440 -5.976 0.146 1.00 0.00 N ATOM 0 H GLN A 23 -0.784 -3.184 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 23 1.055 -1.871 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.203 -3.456 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.077 -2.672 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.915 -4.758 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.742 -4.921 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.062 -5.298 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.019 -6.720 0.703 1.00 0.00 H new ATOM 241 N ALA A 24 2.055 -4.749 -3.430 1.00 0.00 N ATOM 242 CA ALA A 24 3.189 -5.665 -3.504 1.00 0.00 C ATOM 243 C ALA A 24 4.512 -4.907 -3.564 1.00 0.00 C ATOM 244 O ALA A 24 5.529 -5.372 -3.052 1.00 0.00 O ATOM 245 CB ALA A 24 3.048 -6.581 -4.712 1.00 0.00 C ATOM 0 H ALA A 24 1.324 -4.927 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 24 3.192 -6.271 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.900 -7.259 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.128 -7.159 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.015 -5.981 -5.622 1.00 0.00 H new ATOM 251 N ALA A 25 4.488 -3.735 -4.192 1.00 0.00 N ATOM 252 CA ALA A 25 5.684 -2.911 -4.316 1.00 0.00 C ATOM 253 C ALA A 25 5.812 -1.948 -3.140 1.00 0.00 C ATOM 254 O ALA A 25 6.909 -1.684 -2.657 1.00 0.00 O ATOM 255 CB ALA A 25 5.662 -2.145 -5.630 1.00 0.00 C ATOM 0 H ALA A 25 3.654 -3.336 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 25 6.552 -3.570 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.561 -1.534 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.627 -2.849 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.782 -1.502 -5.662 1.00 0.00 H new ATOM 261 N LYS A 26 4.682 -1.426 -2.679 1.00 0.00 N ATOM 262 CA LYS A 26 4.680 -0.496 -1.556 1.00 0.00 C ATOM 263 C LYS A 26 5.326 -1.121 -0.319 1.00 0.00 C ATOM 264 O LYS A 26 5.746 -0.413 0.595 1.00 0.00 O ATOM 265 CB LYS A 26 3.250 -0.048 -1.241 1.00 0.00 C ATOM 266 CG LYS A 26 2.912 1.335 -1.780 1.00 0.00 C ATOM 267 CD LYS A 26 3.282 1.472 -3.250 1.00 0.00 C ATOM 268 CE LYS A 26 4.571 2.259 -3.431 1.00 0.00 C ATOM 269 NZ LYS A 26 5.402 1.712 -4.501 1.00 0.00 N ATOM 0 H LYS A 26 3.759 -1.629 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 26 5.270 0.376 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.551 -0.772 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.106 -0.053 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.846 1.524 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.441 2.091 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.394 0.482 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.473 1.969 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.332 3.299 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.133 2.254 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.270 2.278 -4.590 1.00 0.00 H new ATOM 281 N GLU A 27 5.403 -2.449 -0.295 1.00 0.00 N ATOM 282 CA GLU A 27 6.000 -3.160 0.831 1.00 0.00 C ATOM 283 C GLU A 27 7.433 -2.694 1.085 1.00 0.00 C ATOM 284 O GLU A 27 7.774 -2.291 2.197 1.00 0.00 O ATOM 285 CB GLU A 27 5.982 -4.668 0.574 1.00 0.00 C ATOM 286 CG GLU A 27 4.683 -5.340 0.987 1.00 0.00 C ATOM 287 CD GLU A 27 4.889 -6.767 1.458 1.00 0.00 C ATOM 288 OE1 GLU A 27 5.331 -6.953 2.611 1.00 0.00 O ATOM 289 OE2 GLU A 27 4.608 -7.697 0.674 1.00 0.00 O ATOM 0 H GLU A 27 5.060 -3.053 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 27 5.407 -2.938 1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.154 -4.849 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.808 -5.130 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.217 -4.762 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.992 -5.336 0.144 1.00 0.00 H new ATOM 296 N PHE A 28 8.270 -2.757 0.052 1.00 0.00 N ATOM 297 CA PHE A 28 9.666 -2.346 0.175 1.00 0.00 C ATOM 298 C PHE A 28 9.774 -0.871 0.557 1.00 0.00 C ATOM 299 O PHE A 28 10.682 -0.477 1.289 1.00 0.00 O ATOM 300 CB PHE A 28 10.426 -2.617 -1.134 1.00 0.00 C ATOM 301 CG PHE A 28 10.125 -1.642 -2.237 1.00 0.00 C ATOM 302 CD1 PHE A 28 10.584 -0.337 -2.171 1.00 0.00 C ATOM 303 CD2 PHE A 28 9.386 -2.032 -3.341 1.00 0.00 C ATOM 304 CE1 PHE A 28 10.311 0.560 -3.178 1.00 0.00 C ATOM 305 CE2 PHE A 28 9.107 -1.138 -4.352 1.00 0.00 C ATOM 306 CZ PHE A 28 9.570 0.157 -4.270 1.00 0.00 C ATOM 0 H PHE A 28 8.007 -3.088 -0.876 1.00 0.00 H new ATOM 0 HA PHE A 28 10.120 -2.936 0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.496 -2.597 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.186 -3.623 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.164 -0.019 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.024 -3.047 -3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.675 1.575 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.527 -1.452 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.353 0.858 -5.062 1.00 0.00 H new ATOM 316 N ILE A 29 8.850 -0.058 0.052 1.00 0.00 N ATOM 317 CA ILE A 29 8.854 1.373 0.339 1.00 0.00 C ATOM 318 C ILE A 29 8.857 1.636 1.845 1.00 0.00 C ATOM 319 O ILE A 29 9.353 2.664 2.304 1.00 0.00 O ATOM 320 CB ILE A 29 7.655 2.091 -0.332 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.097 3.450 -0.877 1.00 0.00 C ATOM 322 CG2 ILE A 29 6.481 2.258 0.629 1.00 0.00 C ATOM 323 CD1 ILE A 29 7.217 3.969 -1.993 1.00 0.00 C ATOM 0 H ILE A 29 8.091 -0.365 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 29 9.772 1.782 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 29 7.312 1.466 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.102 4.175 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.122 3.371 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.662 2.766 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.145 1.278 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.796 2.850 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.590 4.936 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.231 3.265 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.196 4.081 -1.629 1.00 0.00 H new ATOM 335 N ALA A 30 8.302 0.699 2.607 1.00 0.00 N ATOM 336 CA ALA A 30 8.242 0.830 4.058 1.00 0.00 C ATOM 337 C ALA A 30 9.636 0.997 4.654 1.00 0.00 C ATOM 338 O ALA A 30 9.859 1.859 5.504 1.00 0.00 O ATOM 339 CB ALA A 30 7.546 -0.377 4.669 1.00 0.00 C ATOM 0 H ALA A 30 7.887 -0.159 2.244 1.00 0.00 H new ATOM 0 HA ALA A 30 7.666 1.725 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.509 -0.265 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.532 -0.450 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.098 -1.282 4.416 1.00 0.00 H new ATOM 345 N TRP A 31 10.572 0.167 4.203 1.00 0.00 N ATOM 346 CA TRP A 31 11.946 0.224 4.693 1.00 0.00 C ATOM 347 C TRP A 31 12.533 1.622 4.495 1.00 0.00 C ATOM 348 O TRP A 31 12.970 2.263 5.452 1.00 0.00 O ATOM 349 CB TRP A 31 12.799 -0.846 3.987 1.00 0.00 C ATOM 350 CG TRP A 31 14.111 -0.346 3.450 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.129 0.217 4.164 1.00 0.00 C ATOM 352 CD2 TRP A 31 14.541 -0.369 2.085 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.165 0.550 3.325 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.828 0.200 2.044 1.00 0.00 C ATOM 355 CE3 TRP A 31 13.964 -0.814 0.891 1.00 0.00 C ATOM 356 CZ2 TRP A 31 16.545 0.336 0.858 1.00 0.00 C ATOM 357 CZ3 TRP A 31 14.678 -0.679 -0.285 1.00 0.00 C ATOM 358 CH2 TRP A 31 15.957 -0.108 -0.293 1.00 0.00 C ATOM 0 H TRP A 31 10.405 -0.553 3.500 1.00 0.00 H new ATOM 0 HA TRP A 31 11.950 0.015 5.763 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.994 -1.657 4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.222 -1.268 3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.121 0.377 5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.042 0.987 3.609 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.978 -1.255 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.531 0.777 0.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.242 -1.019 -1.213 1.00 0.00 H new ATOM 0 HH2 TRP A 31 16.490 -0.017 -1.228 1.00 0.00 H new ATOM 369 N LEU A 32 12.537 2.089 3.251 1.00 0.00 N ATOM 370 CA LEU A 32 13.067 3.412 2.932 1.00 0.00 C ATOM 371 C LEU A 32 12.306 4.495 3.684 1.00 0.00 C ATOM 372 O LEU A 32 12.899 5.313 4.387 1.00 0.00 O ATOM 373 CB LEU A 32 12.982 3.676 1.426 1.00 0.00 C ATOM 374 CG LEU A 32 13.419 2.513 0.539 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.205 1.765 0.020 1.00 0.00 C ATOM 376 CD2 LEU A 32 14.273 3.014 -0.616 1.00 0.00 C ATOM 0 H LEU A 32 12.180 1.573 2.447 1.00 0.00 H new ATOM 0 HA LEU A 32 14.112 3.437 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.954 3.937 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.597 4.544 1.190 1.00 0.00 H new ATOM 0 HG LEU A 32 14.021 1.827 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.530 0.938 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.630 1.376 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.582 2.443 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.575 2.171 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.697 3.719 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.160 3.512 -0.224 1.00 0.00 H new ATOM 388 N VAL A 33 10.986 4.496 3.529 1.00 0.00 N ATOM 389 CA VAL A 33 10.141 5.481 4.190 1.00 0.00 C ATOM 390 C VAL A 33 10.387 5.496 5.697 1.00 0.00 C ATOM 391 O VAL A 33 10.672 6.543 6.279 1.00 0.00 O ATOM 392 CB VAL A 33 8.646 5.208 3.923 1.00 0.00 C ATOM 393 CG1 VAL A 33 7.773 6.227 4.642 1.00 0.00 C ATOM 394 CG2 VAL A 33 8.362 5.217 2.430 1.00 0.00 C ATOM 0 H VAL A 33 10.479 3.825 2.951 1.00 0.00 H new ATOM 0 HA VAL A 33 10.404 6.454 3.775 1.00 0.00 H new ATOM 0 HB VAL A 33 8.404 4.220 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.723 6.015 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.954 6.168 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.016 7.229 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.303 5.023 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.623 6.191 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.956 4.444 1.942 1.00 0.00 H new ATOM 404 N ARG A 34 10.274 4.329 6.323 1.00 0.00 N ATOM 405 CA ARG A 34 10.484 4.210 7.761 1.00 0.00 C ATOM 406 C ARG A 34 11.893 4.650 8.143 1.00 0.00 C ATOM 407 O ARG A 34 12.072 5.524 8.992 1.00 0.00 O ATOM 408 CB ARG A 34 10.250 2.768 8.215 1.00 0.00 C ATOM 409 CG ARG A 34 9.919 2.643 9.693 1.00 0.00 C ATOM 410 CD ARG A 34 8.418 2.604 9.927 1.00 0.00 C ATOM 411 NE ARG A 34 7.791 3.900 9.673 1.00 0.00 N ATOM 412 CZ ARG A 34 6.488 4.065 9.456 1.00 0.00 C ATOM 413 NH1 ARG A 34 5.668 3.022 9.467 1.00 0.00 N ATOM 414 NH2 ARG A 34 6.004 5.278 9.230 1.00 0.00 N ATOM 0 H ARG A 34 10.038 3.453 5.857 1.00 0.00 H new ATOM 0 HA ARG A 34 9.769 4.863 8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.435 2.339 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.141 2.179 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.374 1.737 10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.351 3.484 10.236 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.969 1.851 9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.219 2.300 10.955 1.00 0.00 H new ATOM 0 HE ARG A 34 8.388 4.727 9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.035 2.087 9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.671 3.156 9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.630 6.084 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.006 5.406 9.064 1.00 0.00 H new ATOM 428 N GLY A 35 12.890 4.039 7.512 1.00 0.00 N ATOM 429 CA GLY A 35 14.270 4.381 7.800 1.00 0.00 C ATOM 430 C GLY A 35 15.219 3.936 6.704 1.00 0.00 C ATOM 431 O GLY A 35 15.757 2.831 6.751 1.00 0.00 O ATOM 0 H GLY A 35 12.767 3.313 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.354 5.460 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.566 3.920 8.742 1.00 0.00 H new ATOM 435 N ARG A 36 15.424 4.801 5.715 1.00 0.00 N ATOM 436 CA ARG A 36 16.314 4.492 4.603 1.00 0.00 C ATOM 437 C ARG A 36 17.764 4.797 4.965 1.00 0.00 C ATOM 438 O ARG A 36 18.653 3.971 4.760 1.00 0.00 O ATOM 439 CB ARG A 36 15.909 5.288 3.361 1.00 0.00 C ATOM 440 CG ARG A 36 16.466 4.721 2.066 1.00 0.00 C ATOM 441 CD ARG A 36 16.150 5.622 0.884 1.00 0.00 C ATOM 442 NE ARG A 36 17.272 6.493 0.544 1.00 0.00 N ATOM 443 CZ ARG A 36 18.424 6.055 0.040 1.00 0.00 C ATOM 444 NH1 ARG A 36 18.609 4.760 -0.184 1.00 0.00 N ATOM 445 NH2 ARG A 36 19.393 6.915 -0.240 1.00 0.00 N ATOM 0 H ARG A 36 14.986 5.721 5.662 1.00 0.00 H new ATOM 0 HA ARG A 36 16.228 3.427 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.821 5.317 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.249 6.318 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 36 17.546 4.600 2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.048 3.730 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.892 5.009 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.276 6.231 1.116 1.00 0.00 H new ATOM 0 HE ARG A 36 17.167 7.495 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.866 4.094 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.494 4.431 -0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.256 7.911 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.276 6.581 -0.626 1.00 0.00 H new ATOM 459 N GLY A 37 17.995 5.990 5.504 1.00 0.00 N ATOM 460 CA GLY A 37 19.339 6.383 5.886 1.00 0.00 C ATOM 461 C GLY A 37 19.548 7.883 5.812 1.00 0.00 C ATOM 462 O GLY A 37 19.121 8.493 4.810 1.00 0.00 O ATOM 463 OXT GLY A 37 20.138 8.447 6.757 1.00 0.00 O ATOM 0 H GLY A 37 17.276 6.691 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.539 6.041 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 37 20.058 5.887 5.235 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 10.878 3.517 -6.113 1.00 0.00 O HETATM 469 C02 D6M A1038 11.309 2.364 -6.135 1.00 0.00 C HETATM 470 N03 D6M A1038 10.623 1.402 -6.747 1.00 0.00 N HETATM 471 C04 D6M A1038 9.346 1.664 -7.408 1.00 0.00 C HETATM 472 C05 D6M A1038 8.401 2.442 -6.484 1.00 0.00 C HETATM 473 C06 D6M A1038 7.010 1.833 -6.390 1.00 0.00 C HETATM 474 C07 D6M A1038 6.169 2.456 -5.293 1.00 0.00 C HETATM 475 O08 D6M A1038 6.209 3.678 -5.150 1.00 0.00 O HETATM 476 C09 D6M A1038 9.556 2.434 -8.709 1.00 0.00 C HETATM 477 O10 D6M A1038 9.629 3.679 -8.653 1.00 0.00 O HETATM 478 O11 D6M A1038 9.644 1.784 -9.772 1.00 0.00 O HETATM 479 C12 D6M A1038 12.622 2.078 -5.430 1.00 0.00 C HETATM 480 C13 D6M A1038 12.789 0.614 -5.050 1.00 0.00 C HETATM 481 C14 D6M A1038 13.376 0.462 -3.654 1.00 0.00 C HETATM 482 C15 D6M A1038 14.855 0.111 -3.704 1.00 0.00 C HETATM 483 C16 D6M A1038 15.655 1.145 -4.485 1.00 0.00 C HETATM 484 C17 D6M A1038 15.955 2.378 -3.646 1.00 0.00 C HETATM 485 C18 D6M A1038 15.485 3.650 -4.333 1.00 0.00 C HETATM 486 C19 D6M A1038 14.955 4.665 -3.333 1.00 0.00 C HETATM 487 C20 D6M A1038 13.435 4.658 -3.280 1.00 0.00 C HETATM 488 C21 D6M A1038 12.900 5.823 -2.463 1.00 0.00 C HETATM 489 C22 D6M A1038 11.789 5.381 -1.524 1.00 0.00 C HETATM 490 C23 D6M A1038 11.448 6.468 -0.519 1.00 0.00 C HETATM 491 C24 D6M A1038 10.071 6.252 0.088 1.00 0.00 C HETATM 492 C25 D6M A1038 9.039 7.184 -0.525 1.00 0.00 C HETATM 493 C26 D6M A1038 8.772 8.382 0.360 1.00 0.00 C HETATM 0 H263 D6M A1038 8.398 8.044 1.326 1.00 0.00 H new HETATM 0 H262 D6M A1038 9.696 8.941 0.504 1.00 0.00 H new HETATM 0 H261 D6M A1038 8.029 9.025 -0.112 1.00 0.00 H new HETATM 0 H252 D6M A1038 9.388 7.523 -1.500 1.00 0.00 H new HETATM 0 H251 D6M A1038 8.109 6.639 -0.691 1.00 0.00 H new HETATM 0 H242 D6M A1038 9.764 5.217 -0.064 1.00 0.00 H new HETATM 0 H241 D6M A1038 10.117 6.416 1.165 1.00 0.00 H new HETATM 0 H232 D6M A1038 12.198 6.482 0.272 1.00 0.00 H new HETATM 0 H231 D6M A1038 11.483 7.441 -1.008 1.00 0.00 H new HETATM 0 H222 D6M A1038 10.901 5.127 -2.103 1.00 0.00 H new HETATM 0 H221 D6M A1038 12.095 4.478 -0.996 1.00 0.00 H new HETATM 0 H212 D6M A1038 13.711 6.267 -1.885 1.00 0.00 H new HETATM 0 H211 D6M A1038 12.525 6.597 -3.133 1.00 0.00 H new HETATM 0 H202 D6M A1038 13.034 4.708 -4.293 1.00 0.00 H new HETATM 0 H201 D6M A1038 13.089 3.719 -2.847 1.00 0.00 H new HETATM 0 H192 D6M A1038 15.355 4.445 -2.343 1.00 0.00 H new HETATM 0 H191 D6M A1038 15.306 5.661 -3.604 1.00 0.00 H new HETATM 0 H182 D6M A1038 16.311 4.088 -4.893 1.00 0.00 H new HETATM 0 H181 D6M A1038 14.704 3.407 -5.054 1.00 0.00 H new HETATM 0 H172 D6M A1038 15.467 2.286 -2.676 1.00 0.00 H new HETATM 0 H171 D6M A1038 17.027 2.440 -3.459 1.00 0.00 H new HETATM 0 H162 D6M A1038 16.590 0.700 -4.825 1.00 0.00 H new HETATM 0 H161 D6M A1038 15.099 1.438 -5.376 1.00 0.00 H new HETATM 0 H152 D6M A1038 15.246 0.039 -2.689 1.00 0.00 H new HETATM 0 H151 D6M A1038 14.981 -0.869 -4.164 1.00 0.00 H new HETATM 0 H142 D6M A1038 13.240 1.390 -3.099 1.00 0.00 H new HETATM 0 H141 D6M A1038 12.835 -0.315 -3.114 1.00 0.00 H new HETATM 0 H132 D6M A1038 11.822 0.113 -5.095 1.00 0.00 H new HETATM 0 H131 D6M A1038 13.438 0.121 -5.774 1.00 0.00 H new HETATM 0 H122 D6M A1038 13.447 2.376 -6.077 1.00 0.00 H new HETATM 0 H121 D6M A1038 12.685 2.690 -4.530 1.00 0.00 H new HETATM 0 H062 D6M A1038 6.500 1.954 -7.346 1.00 0.00 H new HETATM 0 H061 D6M A1038 7.099 0.762 -6.210 1.00 0.00 H new HETATM 0 H052 D6M A1038 8.837 2.488 -5.486 1.00 0.00 H new HETATM 0 H051 D6M A1038 8.317 3.468 -6.843 1.00 0.00 H new HETATM 0 H11 D6M A1038 9.774 2.401 -10.523 1.00 0.00 H new HETATM 0 H04 D6M A1038 8.890 0.702 -7.642 1.00 0.00 H new HETATM 0 H03 D6M A1038 10.999 0.454 -6.755 1.00 0.00 H new