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 Set 1.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0.00933 USER MOD Single : A 7 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=-0.02) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 83:sc= 0.622 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= -3.4 K(o=-3.4,f=-5.1!) 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 -32.591 -4.064 0.899 1.00 0.00 N ATOM 2 CA HIS A 7 -31.257 -4.293 0.283 1.00 0.00 C ATOM 3 C HIS A 7 -30.185 -3.439 0.953 1.00 0.00 C ATOM 4 O HIS A 7 -30.491 -2.569 1.769 1.00 0.00 O ATOM 5 CB HIS A 7 -31.345 -3.958 -1.207 1.00 0.00 C ATOM 6 CG HIS A 7 -31.979 -2.630 -1.485 1.00 0.00 C ATOM 7 ND1 HIS A 7 -33.325 -2.479 -1.745 1.00 0.00 N ATOM 8 CD2 HIS A 7 -31.445 -1.387 -1.542 1.00 0.00 C ATOM 9 CE1 HIS A 7 -33.591 -1.201 -1.950 1.00 0.00 C ATOM 10 NE2 HIS A 7 -32.468 -0.518 -1.832 1.00 0.00 N ATOM 0 HA HIS A 7 -30.975 -5.337 0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -30.342 -3.969 -1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -31.915 -4.737 -1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -30.408 -1.127 -1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -34.562 -0.786 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -32.375 0.492 -1.939 1.00 0.00 H new ATOM 21 N ALA A 8 -28.929 -3.693 0.602 1.00 0.00 N ATOM 22 CA ALA A 8 -27.811 -2.948 1.169 1.00 0.00 C ATOM 23 C ALA A 8 -27.677 -1.577 0.514 1.00 0.00 C ATOM 24 O ALA A 8 -28.266 -1.320 -0.537 1.00 0.00 O ATOM 25 CB ALA A 8 -26.519 -3.737 1.019 1.00 0.00 C ATOM 0 H ALA A 8 -28.660 -4.409 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 8 -28.008 -2.797 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -25.694 -3.168 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -26.612 -4.690 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -26.325 -3.919 -0.038 1.00 0.00 H new ATOM 31 N GLU A 9 -26.900 -0.700 1.141 1.00 0.00 N ATOM 32 CA GLU A 9 -26.690 0.645 0.619 1.00 0.00 C ATOM 33 C GLU A 9 -25.426 0.707 -0.232 1.00 0.00 C ATOM 34 O GLU A 9 -24.619 -0.222 -0.232 1.00 0.00 O ATOM 35 CB GLU A 9 -26.598 1.651 1.766 1.00 0.00 C ATOM 36 CG GLU A 9 -27.203 3.006 1.435 1.00 0.00 C ATOM 37 CD GLU A 9 -26.319 4.161 1.865 1.00 0.00 C ATOM 38 OE1 GLU A 9 -26.426 4.587 3.034 1.00 0.00 O ATOM 39 OE2 GLU A 9 -25.520 4.638 1.033 1.00 0.00 O ATOM 0 H GLU A 9 -26.405 -0.897 2.011 1.00 0.00 H new ATOM 0 HA GLU A 9 -27.542 0.901 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.103 1.240 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.551 1.786 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.379 3.068 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -28.174 3.095 1.923 1.00 0.00 H new ATOM 46 N GLY A 10 -25.260 1.808 -0.957 1.00 0.00 N ATOM 47 CA GLY A 10 -24.092 1.970 -1.804 1.00 0.00 C ATOM 48 C GLY A 10 -22.840 2.295 -1.013 1.00 0.00 C ATOM 49 O GLY A 10 -22.650 3.430 -0.577 1.00 0.00 O ATOM 0 H GLY A 10 -25.913 2.591 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -23.931 1.055 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -24.278 2.765 -2.526 1.00 0.00 H new ATOM 53 N THR A 11 -21.981 1.296 -0.829 1.00 0.00 N ATOM 54 CA THR A 11 -20.739 1.481 -0.087 1.00 0.00 C ATOM 55 C THR A 11 -19.641 0.571 -0.628 1.00 0.00 C ATOM 56 O THR A 11 -19.639 -0.634 -0.376 1.00 0.00 O ATOM 57 CB THR A 11 -20.961 1.203 1.401 1.00 0.00 C ATOM 58 OG1 THR A 11 -19.724 1.136 2.089 1.00 0.00 O ATOM 59 CG2 THR A 11 -21.702 -0.090 1.663 1.00 0.00 C ATOM 0 H THR A 11 -22.123 0.350 -1.184 1.00 0.00 H new ATOM 0 HA THR A 11 -20.422 2.517 -0.212 1.00 0.00 H new ATOM 0 HB THR A 11 -21.569 2.032 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.887 0.959 3.039 1.00 0.00 H new ATOM 0 HG21 THR A 11 -21.826 -0.227 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.682 -0.051 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.133 -0.925 1.254 1.00 0.00 H new ATOM 67 N PHE A 12 -18.709 1.155 -1.374 1.00 0.00 N ATOM 68 CA PHE A 12 -17.605 0.397 -1.952 1.00 0.00 C ATOM 69 C PHE A 12 -16.437 1.314 -2.300 1.00 0.00 C ATOM 70 O PHE A 12 -15.328 1.140 -1.797 1.00 0.00 O ATOM 71 CB PHE A 12 -18.076 -0.353 -3.200 1.00 0.00 C ATOM 72 CG PHE A 12 -18.140 -1.842 -3.013 1.00 0.00 C ATOM 73 CD1 PHE A 12 -19.281 -2.440 -2.502 1.00 0.00 C ATOM 74 CD2 PHE A 12 -17.060 -2.642 -3.348 1.00 0.00 C ATOM 75 CE1 PHE A 12 -19.342 -3.810 -2.328 1.00 0.00 C ATOM 76 CE2 PHE A 12 -17.116 -4.012 -3.177 1.00 0.00 C ATOM 77 CZ PHE A 12 -18.258 -4.597 -2.666 1.00 0.00 C ATOM 0 H PHE A 12 -18.696 2.151 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.263 -0.325 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -19.063 0.013 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.402 -0.127 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -20.131 -1.829 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.164 -2.190 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -20.236 -4.265 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.267 -4.625 -3.443 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.304 -5.668 -2.531 1.00 0.00 H new ATOM 87 N THR A 13 -16.697 2.289 -3.165 1.00 0.00 N ATOM 88 CA THR A 13 -15.671 3.239 -3.590 1.00 0.00 C ATOM 89 C THR A 13 -14.937 3.847 -2.396 1.00 0.00 C ATOM 90 O THR A 13 -13.793 4.283 -2.518 1.00 0.00 O ATOM 91 CB THR A 13 -16.301 4.352 -4.427 1.00 0.00 C ATOM 92 OG1 THR A 13 -17.241 5.085 -3.661 1.00 0.00 O ATOM 93 CG2 THR A 13 -17.012 3.843 -5.660 1.00 0.00 C ATOM 0 H THR A 13 -17.612 2.444 -3.588 1.00 0.00 H new ATOM 0 HA THR A 13 -14.944 2.693 -4.192 1.00 0.00 H new ATOM 0 HB THR A 13 -15.470 4.983 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.632 5.794 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.436 4.684 -6.209 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.303 3.315 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.811 3.163 -5.365 1.00 0.00 H new ATOM 101 N SER A 14 -15.605 3.886 -1.248 1.00 0.00 N ATOM 102 CA SER A 14 -15.014 4.457 -0.044 1.00 0.00 C ATOM 103 C SER A 14 -14.157 3.437 0.705 1.00 0.00 C ATOM 104 O SER A 14 -13.157 3.796 1.327 1.00 0.00 O ATOM 105 CB SER A 14 -16.110 4.988 0.881 1.00 0.00 C ATOM 106 OG SER A 14 -17.299 5.261 0.161 1.00 0.00 O ATOM 0 H SER A 14 -16.553 3.530 -1.126 1.00 0.00 H new ATOM 0 HA SER A 14 -14.367 5.278 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.315 4.257 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.764 5.896 1.375 1.00 0.00 H new ATOM 0 HG SER A 14 -17.984 5.597 0.776 1.00 0.00 H new ATOM 112 N ASP A 15 -14.556 2.170 0.655 1.00 0.00 N ATOM 113 CA ASP A 15 -13.821 1.114 1.346 1.00 0.00 C ATOM 114 C ASP A 15 -12.741 0.503 0.456 1.00 0.00 C ATOM 115 O ASP A 15 -11.652 0.174 0.928 1.00 0.00 O ATOM 116 CB ASP A 15 -14.779 0.021 1.827 1.00 0.00 C ATOM 117 CG ASP A 15 -15.745 -0.424 0.747 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.278 -0.862 -0.325 1.00 0.00 O ATOM 119 OD2 ASP A 15 -16.970 -0.336 0.975 1.00 0.00 O ATOM 0 H ASP A 15 -15.380 1.850 0.146 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.331 1.568 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.202 -0.838 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.343 0.389 2.684 1.00 0.00 H new ATOM 124 N VAL A 16 -13.045 0.346 -0.828 1.00 0.00 N ATOM 125 CA VAL A 16 -12.092 -0.234 -1.768 1.00 0.00 C ATOM 126 C VAL A 16 -10.798 0.573 -1.829 1.00 0.00 C ATOM 127 O VAL A 16 -9.762 0.073 -2.266 1.00 0.00 O ATOM 128 CB VAL A 16 -12.684 -0.351 -3.183 1.00 0.00 C ATOM 129 CG1 VAL A 16 -13.689 -1.491 -3.236 1.00 0.00 C ATOM 130 CG2 VAL A 16 -13.321 0.963 -3.612 1.00 0.00 C ATOM 0 H VAL A 16 -13.940 0.611 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.868 -1.234 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.878 -0.571 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -14.102 -1.565 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.192 -2.426 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.494 -1.300 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.733 0.857 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.120 1.224 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.567 1.750 -3.611 1.00 0.00 H new ATOM 140 N SER A 17 -10.856 1.822 -1.387 1.00 0.00 N ATOM 141 CA SER A 17 -9.679 2.680 -1.390 1.00 0.00 C ATOM 142 C SER A 17 -8.703 2.268 -0.288 1.00 0.00 C ATOM 143 O SER A 17 -7.522 2.614 -0.332 1.00 0.00 O ATOM 144 CB SER A 17 -10.089 4.142 -1.203 1.00 0.00 C ATOM 145 OG SER A 17 -11.004 4.548 -2.206 1.00 0.00 O ATOM 0 H SER A 17 -11.701 2.262 -1.023 1.00 0.00 H new ATOM 0 HA SER A 17 -9.180 2.569 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.541 4.273 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.204 4.778 -1.235 1.00 0.00 H new ATOM 0 HG SER A 17 -11.909 4.268 -1.956 1.00 0.00 H new ATOM 151 N SER A 18 -9.207 1.539 0.707 1.00 0.00 N ATOM 152 CA SER A 18 -8.383 1.095 1.827 1.00 0.00 C ATOM 153 C SER A 18 -7.743 -0.271 1.571 1.00 0.00 C ATOM 154 O SER A 18 -6.519 -0.401 1.586 1.00 0.00 O ATOM 155 CB SER A 18 -9.221 1.040 3.105 1.00 0.00 C ATOM 156 OG SER A 18 -8.523 0.379 4.146 1.00 0.00 O ATOM 0 H SER A 18 -10.182 1.244 0.759 1.00 0.00 H new ATOM 0 HA SER A 18 -7.577 1.820 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.476 2.052 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.159 0.522 2.906 1.00 0.00 H new ATOM 0 HG SER A 18 -9.080 0.359 4.952 1.00 0.00 H new ATOM 162 N TYR A 19 -8.575 -1.294 1.367 1.00 0.00 N ATOM 163 CA TYR A 19 -8.083 -2.657 1.143 1.00 0.00 C ATOM 164 C TYR A 19 -6.922 -2.683 0.147 1.00 0.00 C ATOM 165 O TYR A 19 -5.984 -3.466 0.296 1.00 0.00 O ATOM 166 CB TYR A 19 -9.220 -3.574 0.663 1.00 0.00 C ATOM 167 CG TYR A 19 -9.379 -3.643 -0.840 1.00 0.00 C ATOM 168 CD1 TYR A 19 -9.805 -2.540 -1.559 1.00 0.00 C ATOM 169 CD2 TYR A 19 -9.102 -4.813 -1.535 1.00 0.00 C ATOM 170 CE1 TYR A 19 -9.954 -2.594 -2.932 1.00 0.00 C ATOM 171 CE2 TYR A 19 -9.248 -4.879 -2.908 1.00 0.00 C ATOM 172 CZ TYR A 19 -9.674 -3.766 -3.602 1.00 0.00 C ATOM 173 OH TYR A 19 -9.821 -3.826 -4.968 1.00 0.00 O ATOM 0 H TYR A 19 -9.591 -1.206 1.352 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.711 -3.029 2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.043 -4.580 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.157 -3.228 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.025 -1.620 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.767 -5.686 -0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.288 -1.723 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.030 -5.797 -3.434 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.582 -4.722 -5.284 1.00 0.00 H new ATOM 183 N LEU A 20 -6.991 -1.827 -0.869 1.00 0.00 N ATOM 184 CA LEU A 20 -5.945 -1.762 -1.885 1.00 0.00 C ATOM 185 C LEU A 20 -4.571 -1.572 -1.248 1.00 0.00 C ATOM 186 O LEU A 20 -4.453 -1.016 -0.156 1.00 0.00 O ATOM 187 CB LEU A 20 -6.226 -0.624 -2.870 1.00 0.00 C ATOM 188 CG LEU A 20 -6.538 0.731 -2.231 1.00 0.00 C ATOM 189 CD1 LEU A 20 -5.307 1.294 -1.539 1.00 0.00 C ATOM 190 CD2 LEU A 20 -7.054 1.705 -3.280 1.00 0.00 C ATOM 0 H LEU A 20 -7.758 -1.170 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.945 -2.709 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.361 -0.509 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.066 -0.911 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.315 0.587 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.550 2.258 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.980 0.604 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.507 1.424 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.272 2.664 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.297 1.843 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.963 1.307 -3.730 1.00 0.00 H new ATOM 202 N GLU A 21 -3.535 -2.039 -1.938 1.00 0.00 N ATOM 203 CA GLU A 21 -2.169 -1.921 -1.440 1.00 0.00 C ATOM 204 C GLU A 21 -2.012 -2.643 -0.105 1.00 0.00 C ATOM 205 O GLU A 21 -2.996 -2.916 0.583 1.00 0.00 O ATOM 206 CB GLU A 21 -1.785 -0.449 -1.285 1.00 0.00 C ATOM 207 CG GLU A 21 -1.167 0.153 -2.537 1.00 0.00 C ATOM 208 CD GLU A 21 0.244 -0.342 -2.786 1.00 0.00 C ATOM 209 OE1 GLU A 21 0.538 -1.503 -2.430 1.00 0.00 O ATOM 210 OE2 GLU A 21 1.056 0.430 -3.337 1.00 0.00 O ATOM 0 H GLU A 21 -3.615 -2.502 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.503 -2.388 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.673 0.123 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.081 -0.351 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.790 -0.089 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.156 1.239 -2.446 1.00 0.00 H new ATOM 217 N GLY A 22 -0.770 -2.948 0.255 1.00 0.00 N ATOM 218 CA GLY A 22 -0.508 -3.635 1.506 1.00 0.00 C ATOM 219 C GLY A 22 0.974 -3.781 1.791 1.00 0.00 C ATOM 220 O GLY A 22 1.708 -2.794 1.818 1.00 0.00 O ATOM 0 H GLY A 22 0.060 -2.732 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.979 -3.088 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.968 -4.623 1.477 1.00 0.00 H new ATOM 224 N GLN A 23 1.414 -5.017 2.004 1.00 0.00 N ATOM 225 CA GLN A 23 2.818 -5.292 2.290 1.00 0.00 C ATOM 226 C GLN A 23 3.713 -4.811 1.153 1.00 0.00 C ATOM 227 O GLN A 23 4.862 -4.429 1.373 1.00 0.00 O ATOM 228 CB GLN A 23 3.029 -6.789 2.521 1.00 0.00 C ATOM 229 CG GLN A 23 2.573 -7.654 1.357 1.00 0.00 C ATOM 230 CD GLN A 23 3.581 -7.686 0.225 1.00 0.00 C ATOM 231 OE1 GLN A 23 3.281 -7.289 -0.901 1.00 0.00 O ATOM 232 NE2 GLN A 23 4.786 -8.162 0.519 1.00 0.00 N ATOM 0 H GLN A 23 0.818 -5.845 1.984 1.00 0.00 H new ATOM 0 HA GLN A 23 3.090 -4.748 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.087 -6.974 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.490 -7.089 3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.397 -8.670 1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.621 -7.278 0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.991 -8.480 1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.506 -8.209 -0.202 1.00 0.00 H new ATOM 241 N ALA A 24 3.180 -4.833 -0.064 1.00 0.00 N ATOM 242 CA ALA A 24 3.931 -4.401 -1.238 1.00 0.00 C ATOM 243 C ALA A 24 4.432 -2.968 -1.078 1.00 0.00 C ATOM 244 O ALA A 24 5.442 -2.585 -1.668 1.00 0.00 O ATOM 245 CB ALA A 24 3.071 -4.524 -2.487 1.00 0.00 C ATOM 0 H ALA A 24 2.230 -5.146 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 24 4.800 -5.051 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.643 -4.199 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.769 -5.563 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.184 -3.899 -2.381 1.00 0.00 H new ATOM 251 N ALA A 25 3.720 -2.181 -0.277 1.00 0.00 N ATOM 252 CA ALA A 25 4.095 -0.792 -0.043 1.00 0.00 C ATOM 253 C ALA A 25 5.246 -0.692 0.952 1.00 0.00 C ATOM 254 O ALA A 25 6.296 -0.130 0.646 1.00 0.00 O ATOM 255 CB ALA A 25 2.896 0.001 0.454 1.00 0.00 C ATOM 0 H ALA A 25 2.881 -2.482 0.220 1.00 0.00 H new ATOM 0 HA ALA A 25 4.431 -0.369 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.190 1.037 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.103 -0.033 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.535 -0.432 1.387 1.00 0.00 H new ATOM 261 N LYS A 26 5.039 -1.243 2.147 1.00 0.00 N ATOM 262 CA LYS A 26 6.056 -1.219 3.199 1.00 0.00 C ATOM 263 C LYS A 26 7.442 -1.552 2.650 1.00 0.00 C ATOM 264 O LYS A 26 8.454 -1.100 3.183 1.00 0.00 O ATOM 265 CB LYS A 26 5.687 -2.205 4.310 1.00 0.00 C ATOM 266 CG LYS A 26 4.930 -1.566 5.463 1.00 0.00 C ATOM 267 CD LYS A 26 3.446 -1.434 5.155 1.00 0.00 C ATOM 268 CE LYS A 26 2.944 -0.025 5.429 1.00 0.00 C ATOM 269 NZ LYS A 26 3.409 0.927 4.425 1.00 0.00 N ATOM 0 H LYS A 26 4.173 -1.713 2.412 1.00 0.00 H new ATOM 0 HA LYS A 26 6.089 -0.208 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.080 -3.006 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.598 -2.664 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.063 -2.166 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.348 -0.581 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.266 -1.689 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.883 -2.146 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.854 -0.026 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.281 0.295 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.044 1.875 4.650 1.00 0.00 H new ATOM 281 N GLU A 27 7.482 -2.346 1.586 1.00 0.00 N ATOM 282 CA GLU A 27 8.746 -2.738 0.971 1.00 0.00 C ATOM 283 C GLU A 27 9.582 -1.517 0.584 1.00 0.00 C ATOM 284 O GLU A 27 10.799 -1.616 0.428 1.00 0.00 O ATOM 285 CB GLU A 27 8.486 -3.602 -0.264 1.00 0.00 C ATOM 286 CG GLU A 27 8.071 -5.027 0.067 1.00 0.00 C ATOM 287 CD GLU A 27 7.851 -5.873 -1.172 1.00 0.00 C ATOM 288 OE1 GLU A 27 8.843 -6.176 -1.867 1.00 0.00 O ATOM 289 OE2 GLU A 27 6.687 -6.233 -1.446 1.00 0.00 O ATOM 0 H GLU A 27 6.654 -2.731 1.131 1.00 0.00 H new ATOM 0 HA GLU A 27 9.308 -3.315 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.706 -3.136 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.388 -3.628 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.838 -5.490 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.154 -5.007 0.656 1.00 0.00 H new ATOM 296 N PHE A 28 8.927 -0.369 0.425 1.00 0.00 N ATOM 297 CA PHE A 28 9.623 0.859 0.051 1.00 0.00 C ATOM 298 C PHE A 28 10.442 1.409 1.218 1.00 0.00 C ATOM 299 O PHE A 28 11.600 1.788 1.051 1.00 0.00 O ATOM 300 CB PHE A 28 8.619 1.911 -0.456 1.00 0.00 C ATOM 301 CG PHE A 28 8.157 2.897 0.587 1.00 0.00 C ATOM 302 CD1 PHE A 28 8.994 3.916 1.016 1.00 0.00 C ATOM 303 CD2 PHE A 28 6.887 2.806 1.134 1.00 0.00 C ATOM 304 CE1 PHE A 28 8.574 4.822 1.970 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.462 3.710 2.089 1.00 0.00 C ATOM 306 CZ PHE A 28 7.307 4.719 2.508 1.00 0.00 C ATOM 0 H PHE A 28 7.920 -0.264 0.549 1.00 0.00 H new ATOM 0 HA PHE A 28 10.316 0.623 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.075 2.461 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.748 1.396 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.986 4.002 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.222 2.019 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.236 5.611 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.470 3.628 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.977 5.426 3.255 1.00 0.00 H new ATOM 316 N ILE A 29 9.829 1.461 2.397 1.00 0.00 N ATOM 317 CA ILE A 29 10.500 1.977 3.587 1.00 0.00 C ATOM 318 C ILE A 29 11.866 1.324 3.791 1.00 0.00 C ATOM 319 O ILE A 29 12.764 1.917 4.388 1.00 0.00 O ATOM 320 CB ILE A 29 9.636 1.775 4.852 1.00 0.00 C ATOM 321 CG1 ILE A 29 10.194 2.602 6.012 1.00 0.00 C ATOM 322 CG2 ILE A 29 9.559 0.301 5.231 1.00 0.00 C ATOM 323 CD1 ILE A 29 9.134 3.069 6.986 1.00 0.00 C ATOM 0 H ILE A 29 8.870 1.153 2.554 1.00 0.00 H new ATOM 0 HA ILE A 29 10.646 3.045 3.426 1.00 0.00 H new ATOM 0 HB ILE A 29 8.625 2.118 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.933 2.007 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.715 3.471 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.945 0.187 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.115 -0.263 4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.562 -0.077 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.601 3.649 7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.407 3.691 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.629 2.204 7.416 1.00 0.00 H new ATOM 335 N ALA A 30 12.021 0.106 3.286 1.00 0.00 N ATOM 336 CA ALA A 30 13.281 -0.616 3.410 1.00 0.00 C ATOM 337 C ALA A 30 14.300 -0.125 2.384 1.00 0.00 C ATOM 338 O ALA A 30 15.503 -0.333 2.542 1.00 0.00 O ATOM 339 CB ALA A 30 13.049 -2.111 3.253 1.00 0.00 C ATOM 0 H ALA A 30 11.290 -0.402 2.787 1.00 0.00 H new ATOM 0 HA ALA A 30 13.685 -0.424 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.998 -2.638 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.363 -2.456 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.619 -2.311 2.272 1.00 0.00 H new ATOM 345 N TRP A 31 13.810 0.522 1.330 1.00 0.00 N ATOM 346 CA TRP A 31 14.674 1.036 0.275 1.00 0.00 C ATOM 347 C TRP A 31 15.350 2.343 0.696 1.00 0.00 C ATOM 348 O TRP A 31 16.522 2.567 0.395 1.00 0.00 O ATOM 349 CB TRP A 31 13.862 1.233 -1.017 1.00 0.00 C ATOM 350 CG TRP A 31 13.981 2.604 -1.617 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.098 3.162 -2.168 1.00 0.00 C ATOM 352 CD2 TRP A 31 12.946 3.589 -1.720 1.00 0.00 C ATOM 353 NE1 TRP A 31 14.823 4.434 -2.606 1.00 0.00 N ATOM 354 CE2 TRP A 31 13.508 4.719 -2.343 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.599 3.627 -1.348 1.00 0.00 C ATOM 356 CZ2 TRP A 31 12.771 5.872 -2.600 1.00 0.00 C ATOM 357 CZ3 TRP A 31 10.869 4.772 -1.604 1.00 0.00 C ATOM 358 CH2 TRP A 31 11.456 5.881 -2.225 1.00 0.00 C ATOM 0 H TRP A 31 12.817 0.702 1.185 1.00 0.00 H new ATOM 0 HA TRP A 31 15.462 0.306 0.090 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.187 0.497 -1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.812 1.031 -0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.058 2.674 -2.248 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.488 5.064 -3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.137 2.776 -0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 13.222 6.729 -3.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.828 4.812 -1.320 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.858 6.761 -2.412 1.00 0.00 H new ATOM 369 N LEU A 32 14.607 3.207 1.384 1.00 0.00 N ATOM 370 CA LEU A 32 15.155 4.488 1.826 1.00 0.00 C ATOM 371 C LEU A 32 15.789 4.374 3.210 1.00 0.00 C ATOM 372 O LEU A 32 16.902 4.850 3.430 1.00 0.00 O ATOM 373 CB LEU A 32 14.092 5.603 1.825 1.00 0.00 C ATOM 374 CG LEU A 32 12.630 5.159 1.727 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.052 4.940 3.115 1.00 0.00 C ATOM 376 CD2 LEU A 32 11.814 6.197 0.970 1.00 0.00 C ATOM 0 H LEU A 32 13.634 3.047 1.646 1.00 0.00 H new ATOM 0 HA LEU A 32 15.929 4.759 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.210 6.186 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.301 6.272 0.990 1.00 0.00 H new ATOM 0 HG LEU A 32 12.586 4.217 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.012 4.625 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.624 4.168 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.104 5.870 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.776 5.869 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.862 7.151 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.218 6.315 -0.035 1.00 0.00 H new ATOM 388 N VAL A 33 15.079 3.746 4.140 1.00 0.00 N ATOM 389 CA VAL A 33 15.585 3.581 5.498 1.00 0.00 C ATOM 390 C VAL A 33 16.901 2.807 5.507 1.00 0.00 C ATOM 391 O VAL A 33 17.699 2.935 6.435 1.00 0.00 O ATOM 392 CB VAL A 33 14.560 2.860 6.397 1.00 0.00 C ATOM 393 CG1 VAL A 33 15.119 2.651 7.798 1.00 0.00 C ATOM 394 CG2 VAL A 33 13.259 3.645 6.451 1.00 0.00 C ATOM 0 H VAL A 33 14.155 3.344 3.980 1.00 0.00 H new ATOM 0 HA VAL A 33 15.759 4.581 5.895 1.00 0.00 H new ATOM 0 HB VAL A 33 14.356 1.880 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.378 2.141 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.023 2.045 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.357 3.617 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.546 3.124 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.450 4.639 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.847 3.736 5.446 1.00 0.00 H new ATOM 404 N ARG A 34 17.124 2.005 4.470 1.00 0.00 N ATOM 405 CA ARG A 34 18.347 1.217 4.366 1.00 0.00 C ATOM 406 C ARG A 34 19.219 1.715 3.217 1.00 0.00 C ATOM 407 O ARG A 34 19.752 0.923 2.440 1.00 0.00 O ATOM 408 CB ARG A 34 18.011 -0.262 4.167 1.00 0.00 C ATOM 409 CG ARG A 34 16.945 -0.777 5.120 1.00 0.00 C ATOM 410 CD ARG A 34 16.470 -2.166 4.727 1.00 0.00 C ATOM 411 NE ARG A 34 17.457 -3.194 5.050 1.00 0.00 N ATOM 412 CZ ARG A 34 17.678 -3.648 6.282 1.00 0.00 C ATOM 413 NH1 ARG A 34 16.984 -3.170 7.307 1.00 0.00 N ATOM 414 NH2 ARG A 34 18.594 -4.584 6.489 1.00 0.00 N ATOM 0 H ARG A 34 16.476 1.884 3.692 1.00 0.00 H new ATOM 0 HA ARG A 34 18.904 1.332 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.674 -0.415 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.918 -0.853 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.343 -0.801 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 34 16.099 -0.090 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.534 -2.388 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.260 -2.188 3.658 1.00 0.00 H new ATOM 0 HE ARG A 34 18.009 -3.587 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.277 -2.451 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.158 -3.522 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.129 -4.956 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.763 -4.932 7.433 1.00 0.00 H new ATOM 428 N GLY A 35 19.359 3.033 3.115 1.00 0.00 N ATOM 429 CA GLY A 35 20.168 3.613 2.059 1.00 0.00 C ATOM 430 C GLY A 35 19.962 5.109 1.924 1.00 0.00 C ATOM 431 O GLY A 35 20.915 5.884 2.010 1.00 0.00 O ATOM 0 H GLY A 35 18.927 3.709 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.220 3.411 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.925 3.129 1.113 1.00 0.00 H new ATOM 435 N ARG A 36 18.715 5.518 1.713 1.00 0.00 N ATOM 436 CA ARG A 36 18.388 6.931 1.566 1.00 0.00 C ATOM 437 C ARG A 36 18.625 7.683 2.872 1.00 0.00 C ATOM 438 O ARG A 36 17.904 7.490 3.851 1.00 0.00 O ATOM 439 CB ARG A 36 16.932 7.098 1.126 1.00 0.00 C ATOM 440 CG ARG A 36 16.603 8.499 0.634 1.00 0.00 C ATOM 441 CD ARG A 36 15.242 8.960 1.131 1.00 0.00 C ATOM 442 NE ARG A 36 15.046 10.396 0.942 1.00 0.00 N ATOM 443 CZ ARG A 36 14.708 10.951 -0.220 1.00 0.00 C ATOM 444 NH1 ARG A 36 14.530 10.197 -1.298 1.00 0.00 N ATOM 445 NH2 ARG A 36 14.547 12.265 -0.304 1.00 0.00 N ATOM 0 H ARG A 36 17.914 4.890 1.640 1.00 0.00 H new ATOM 0 HA ARG A 36 19.041 7.351 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.717 6.383 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.278 6.852 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 36 17.370 9.195 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.618 8.516 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.460 8.415 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.141 8.717 2.189 1.00 0.00 H new ATOM 0 HE ARG A 36 15.176 11.009 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.652 9.186 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.271 10.629 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.682 12.849 0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.288 12.691 -1.194 1.00 0.00 H new ATOM 459 N GLY A 37 19.640 8.541 2.880 1.00 0.00 N ATOM 460 CA GLY A 37 19.953 9.309 4.070 1.00 0.00 C ATOM 461 C GLY A 37 20.408 8.434 5.222 1.00 0.00 C ATOM 462 O GLY A 37 20.879 8.988 6.238 1.00 0.00 O ATOM 463 OXT GLY A 37 20.292 7.196 5.109 1.00 0.00 O ATOM 0 H GLY A 37 20.251 8.718 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.734 10.032 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.074 9.877 4.374 1.00 0.00 H new TER 467 GLY A 37 HETATM 468 O01 D6M A1038 3.481 6.386 -0.613 1.00 0.00 O HETATM 469 C02 D6M A1038 4.187 5.418 -0.328 1.00 0.00 C HETATM 470 N03 D6M A1038 3.745 4.488 0.514 1.00 0.00 N HETATM 471 C04 D6M A1038 2.425 4.575 1.127 1.00 0.00 C HETATM 472 C05 D6M A1038 2.068 3.252 1.808 1.00 0.00 C HETATM 473 C06 D6M A1038 3.147 2.741 2.750 1.00 0.00 C HETATM 474 C07 D6M A1038 2.608 1.772 3.785 1.00 0.00 C HETATM 475 O08 D6M A1038 1.401 1.785 4.022 1.00 0.00 O HETATM 476 C09 D6M A1038 2.368 5.713 2.141 1.00 0.00 C HETATM 477 O10 D6M A1038 3.419 6.345 2.378 1.00 0.00 O HETATM 478 O11 D6M A1038 1.275 5.961 2.691 1.00 0.00 O HETATM 479 C12 D6M A1038 5.560 5.321 -0.963 1.00 0.00 C HETATM 480 C13 D6M A1038 6.414 6.550 -0.699 1.00 0.00 C HETATM 481 C14 D6M A1038 7.843 6.349 -1.179 1.00 0.00 C HETATM 482 C15 D6M A1038 8.406 7.617 -1.802 1.00 0.00 C HETATM 483 C16 D6M A1038 9.335 8.346 -0.843 1.00 0.00 C HETATM 484 C17 D6M A1038 8.585 8.866 0.372 1.00 0.00 C HETATM 485 C18 D6M A1038 8.736 7.932 1.562 1.00 0.00 C HETATM 486 C19 D6M A1038 8.775 8.699 2.873 1.00 0.00 C HETATM 487 C20 D6M A1038 9.076 7.781 4.047 1.00 0.00 C HETATM 488 C21 D6M A1038 10.567 7.717 4.337 1.00 0.00 C HETATM 489 C22 D6M A1038 10.873 6.742 5.462 1.00 0.00 C HETATM 490 C23 D6M A1038 12.296 6.908 5.975 1.00 0.00 C HETATM 491 C24 D6M A1038 12.332 7.035 7.490 1.00 0.00 C HETATM 492 C25 D6M A1038 13.369 8.052 7.938 1.00 0.00 C HETATM 493 C26 D6M A1038 12.744 9.400 8.221 1.00 0.00 C HETATM 0 H263 D6M A1038 12.264 9.775 7.317 1.00 0.00 H new HETATM 0 H262 D6M A1038 12.000 9.298 9.011 1.00 0.00 H new HETATM 0 H261 D6M A1038 13.517 10.100 8.539 1.00 0.00 H new HETATM 0 H252 D6M A1038 13.872 7.689 8.834 1.00 0.00 H new HETATM 0 H251 D6M A1038 14.131 8.159 7.166 1.00 0.00 H new HETATM 0 H242 D6M A1038 11.349 7.331 7.855 1.00 0.00 H new HETATM 0 H241 D6M A1038 12.557 6.065 7.933 1.00 0.00 H new HETATM 0 H232 D6M A1038 12.897 6.053 5.666 1.00 0.00 H new HETATM 0 H231 D6M A1038 12.745 7.793 5.524 1.00 0.00 H new HETATM 0 H222 D6M A1038 10.170 6.898 6.280 1.00 0.00 H new HETATM 0 H221 D6M A1038 10.730 5.721 5.108 1.00 0.00 H new HETATM 0 H212 D6M A1038 11.101 7.415 3.436 1.00 0.00 H new HETATM 0 H211 D6M A1038 10.930 8.709 4.605 1.00 0.00 H new HETATM 0 H202 D6M A1038 8.547 8.135 4.932 1.00 0.00 H new HETATM 0 H201 D6M A1038 8.703 6.780 3.832 1.00 0.00 H new HETATM 0 H192 D6M A1038 9.534 9.480 2.817 1.00 0.00 H new HETATM 0 H191 D6M A1038 7.818 9.195 3.034 1.00 0.00 H new HETATM 0 H182 D6M A1038 7.907 7.225 1.578 1.00 0.00 H new HETATM 0 H181 D6M A1038 9.650 7.349 1.454 1.00 0.00 H new HETATM 0 H172 D6M A1038 8.958 9.856 0.635 1.00 0.00 H new HETATM 0 H171 D6M A1038 7.529 8.978 0.128 1.00 0.00 H new HETATM 0 H162 D6M A1038 10.129 7.672 -0.521 1.00 0.00 H new HETATM 0 H161 D6M A1038 9.813 9.178 -1.360 1.00 0.00 H new HETATM 0 H152 D6M A1038 8.948 7.366 -2.714 1.00 0.00 H new HETATM 0 H151 D6M A1038 7.587 8.277 -2.089 1.00 0.00 H new HETATM 0 H142 D6M A1038 8.470 6.045 -0.341 1.00 0.00 H new HETATM 0 H141 D6M A1038 7.872 5.540 -1.909 1.00 0.00 H new HETATM 0 H132 D6M A1038 5.978 7.413 -1.203 1.00 0.00 H new HETATM 0 H131 D6M A1038 6.415 6.771 0.368 1.00 0.00 H new HETATM 0 H122 D6M A1038 6.072 4.438 -0.580 1.00 0.00 H new HETATM 0 H121 D6M A1038 5.450 5.184 -2.039 1.00 0.00 H new HETATM 0 H062 D6M A1038 3.928 2.249 2.169 1.00 0.00 H new HETATM 0 H061 D6M A1038 3.612 3.587 3.257 1.00 0.00 H new HETATM 0 H052 D6M A1038 1.141 3.379 2.366 1.00 0.00 H new HETATM 0 H051 D6M A1038 1.879 2.499 1.043 1.00 0.00 H new HETATM 0 H11 D6M A1038 1.385 6.707 3.316 1.00 0.00 H new HETATM 0 H04 D6M A1038 1.700 4.779 0.339 1.00 0.00 H new HETATM 0 H03 D6M A1038 4.345 3.694 0.737 1.00 0.00 H new