USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 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 Single : A 1 ASP N :NH3+ -159:sc= 0.253 (180deg=0.113) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -7:sc= -7.4! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.145 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -12.8! C(o=-13!,f=-16!) USER MOD Single : A 23 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.73) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -179:sc= 0 (180deg=-0.00228) USER MOD Single : A 31 ASN : amide:sc= 0.64 K(o=0.64,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= -0.0167 (180deg=-0.221) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00522) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.872 12.265 2.749 1.00 0.00 N ATOM 2 CA ASP A 1 -8.294 10.990 2.100 1.00 0.00 C ATOM 3 C ASP A 1 -7.064 10.276 1.532 1.00 0.00 C ATOM 4 O ASP A 1 -6.086 10.897 1.167 1.00 0.00 O ATOM 5 CB ASP A 1 -9.285 11.291 0.970 1.00 0.00 C ATOM 6 CG ASP A 1 -8.543 11.884 -0.232 1.00 0.00 C ATOM 7 OD1 ASP A 1 -7.997 12.968 -0.091 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.536 11.249 -1.272 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.602 12.569 3.424 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.974 12.118 3.253 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.745 12.999 2.023 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.776 10.349 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.801 10.378 0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.046 11.989 1.319 1.00 0.00 H new ATOM 15 N SER A 2 -7.107 8.973 1.459 1.00 0.00 N ATOM 16 CA SER A 2 -5.943 8.217 0.919 1.00 0.00 C ATOM 17 C SER A 2 -6.437 7.131 -0.034 1.00 0.00 C ATOM 18 O SER A 2 -7.598 6.771 -0.035 1.00 0.00 O ATOM 19 CB SER A 2 -5.184 7.562 2.073 1.00 0.00 C ATOM 20 OG SER A 2 -5.782 6.309 2.379 1.00 0.00 O ATOM 0 H SER A 2 -7.899 8.400 1.750 1.00 0.00 H new ATOM 0 HA SER A 2 -5.284 8.901 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.138 7.422 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.202 8.210 2.949 1.00 0.00 H new ATOM 0 HG SER A 2 -5.296 5.886 3.118 1.00 0.00 H new ATOM 26 N ILE A 3 -5.562 6.602 -0.843 1.00 0.00 N ATOM 27 CA ILE A 3 -5.971 5.542 -1.790 1.00 0.00 C ATOM 28 C ILE A 3 -5.759 4.175 -1.139 1.00 0.00 C ATOM 29 O ILE A 3 -4.804 3.960 -0.424 1.00 0.00 O ATOM 30 CB ILE A 3 -5.119 5.628 -3.058 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.429 6.924 -3.808 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.426 4.436 -3.970 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.595 6.978 -5.092 1.00 0.00 C ATOM 0 H ILE A 3 -4.577 6.864 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.022 5.673 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.066 5.613 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.491 6.973 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.204 7.785 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.817 4.501 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.199 3.508 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.481 4.449 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.814 7.901 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.535 6.948 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.842 6.124 -5.723 1.00 0.00 H new ATOM 45 N THR A 4 -6.634 3.245 -1.389 1.00 0.00 N ATOM 46 CA THR A 4 -6.467 1.889 -0.803 1.00 0.00 C ATOM 47 C THR A 4 -6.657 0.865 -1.918 1.00 0.00 C ATOM 48 O THR A 4 -7.728 0.743 -2.477 1.00 0.00 O ATOM 49 CB THR A 4 -7.513 1.660 0.289 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.860 2.906 0.879 1.00 0.00 O ATOM 51 CG2 THR A 4 -6.941 0.725 1.358 1.00 0.00 C ATOM 0 H THR A 4 -7.460 3.366 -1.975 1.00 0.00 H new ATOM 0 HA THR A 4 -5.476 1.791 -0.361 1.00 0.00 H new ATOM 0 HB THR A 4 -8.402 1.206 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.532 2.761 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.687 0.562 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.677 -0.230 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.051 1.176 1.797 1.00 0.00 H new ATOM 59 N TYR A 5 -5.631 0.140 -2.267 1.00 0.00 N ATOM 60 CA TYR A 5 -5.785 -0.849 -3.368 1.00 0.00 C ATOM 61 C TYR A 5 -5.578 -2.265 -2.852 1.00 0.00 C ATOM 62 O TYR A 5 -4.652 -2.548 -2.121 1.00 0.00 O ATOM 63 CB TYR A 5 -4.790 -0.523 -4.486 1.00 0.00 C ATOM 64 CG TYR A 5 -3.492 -1.294 -4.350 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.417 -2.647 -4.715 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.337 -0.627 -3.924 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.200 -3.317 -4.652 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.121 -1.309 -3.850 1.00 0.00 C ATOM 69 CZ TYR A 5 -1.053 -2.651 -4.219 1.00 0.00 C ATOM 70 OH TYR A 5 0.146 -3.323 -4.170 1.00 0.00 O ATOM 0 H TYR A 5 -4.704 0.188 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.798 -0.788 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.245 -0.750 -5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.577 0.546 -4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.304 -3.168 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.387 0.417 -3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.143 -4.357 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.234 -0.797 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.003 -4.273 -4.360 1.00 0.00 H new ATOM 80 N ARG A 6 -6.442 -3.161 -3.232 1.00 0.00 N ATOM 81 CA ARG A 6 -6.300 -4.561 -2.771 1.00 0.00 C ATOM 82 C ARG A 6 -5.352 -5.297 -3.700 1.00 0.00 C ATOM 83 O ARG A 6 -5.582 -5.428 -4.886 1.00 0.00 O ATOM 84 CB ARG A 6 -7.665 -5.251 -2.761 1.00 0.00 C ATOM 85 CG ARG A 6 -7.982 -5.729 -1.343 1.00 0.00 C ATOM 86 CD ARG A 6 -9.460 -6.111 -1.253 1.00 0.00 C ATOM 87 NE ARG A 6 -9.852 -6.238 0.178 1.00 0.00 N ATOM 88 CZ ARG A 6 -11.110 -6.177 0.518 1.00 0.00 C ATOM 89 NH1 ARG A 6 -11.819 -7.270 0.591 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.660 -5.022 0.781 1.00 0.00 N ATOM 0 H ARG A 6 -7.240 -2.981 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.898 -4.571 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.436 -4.561 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.663 -6.096 -3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.358 -6.585 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.754 -4.943 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.073 -5.355 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.636 -7.052 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.137 -6.373 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.390 -8.171 0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.803 -7.223 0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.106 -4.168 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.644 -4.974 1.047 1.00 0.00 H new ATOM 104 N VAL A 7 -4.278 -5.767 -3.153 1.00 0.00 N ATOM 105 CA VAL A 7 -3.273 -6.496 -3.956 1.00 0.00 C ATOM 106 C VAL A 7 -3.789 -7.899 -4.240 1.00 0.00 C ATOM 107 O VAL A 7 -3.911 -8.706 -3.355 1.00 0.00 O ATOM 108 CB VAL A 7 -1.991 -6.566 -3.135 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.808 -6.919 -4.030 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.746 -5.201 -2.496 1.00 0.00 C ATOM 0 H VAL A 7 -4.049 -5.675 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.085 -5.993 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.094 -7.334 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.101 -6.966 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.983 -7.887 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.695 -6.157 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.831 -5.235 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.646 -4.447 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.586 -4.945 -1.850 1.00 0.00 H new ATOM 120 N ARG A 8 -4.097 -8.196 -5.465 1.00 0.00 N ATOM 121 CA ARG A 8 -4.614 -9.554 -5.791 1.00 0.00 C ATOM 122 C ARG A 8 -3.472 -10.406 -6.336 1.00 0.00 C ATOM 123 O ARG A 8 -2.466 -9.892 -6.775 1.00 0.00 O ATOM 124 CB ARG A 8 -5.716 -9.442 -6.844 1.00 0.00 C ATOM 125 CG ARG A 8 -7.070 -9.743 -6.199 1.00 0.00 C ATOM 126 CD ARG A 8 -7.872 -10.673 -7.109 1.00 0.00 C ATOM 127 NE ARG A 8 -9.320 -10.339 -7.009 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.935 -10.425 -5.861 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.809 -11.502 -5.133 1.00 0.00 N ATOM 130 NH2 ARG A 8 -10.675 -9.436 -5.441 1.00 0.00 N ATOM 0 H ARG A 8 -4.014 -7.560 -6.258 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.021 -10.017 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.721 -8.441 -7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.527 -10.140 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.925 -10.207 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.620 -8.817 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.535 -10.570 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.707 -11.711 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.832 -10.042 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.230 -12.275 -5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.289 -11.570 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.773 -8.595 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.155 -9.504 -4.544 1.00 0.00 H new ATOM 144 N LYS A 9 -3.607 -11.705 -6.303 1.00 0.00 N ATOM 145 CA LYS A 9 -2.508 -12.568 -6.823 1.00 0.00 C ATOM 146 C LYS A 9 -2.191 -12.156 -8.259 1.00 0.00 C ATOM 147 O LYS A 9 -3.073 -11.871 -9.045 1.00 0.00 O ATOM 148 CB LYS A 9 -2.929 -14.037 -6.795 1.00 0.00 C ATOM 149 CG LYS A 9 -4.276 -14.209 -7.502 1.00 0.00 C ATOM 150 CD LYS A 9 -5.147 -15.183 -6.707 1.00 0.00 C ATOM 151 CE LYS A 9 -6.387 -14.454 -6.187 1.00 0.00 C ATOM 152 NZ LYS A 9 -7.375 -15.452 -5.686 1.00 0.00 N ATOM 0 H LYS A 9 -4.422 -12.201 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.626 -12.445 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.172 -14.650 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.003 -14.383 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.778 -13.245 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.123 -14.584 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.443 -16.021 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.580 -15.597 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.110 -13.767 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.830 -13.855 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.219 -14.958 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.647 -16.090 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.949 -16.005 -4.915 1.00 0.00 H new ATOM 166 N GLY A 10 -0.936 -12.098 -8.598 1.00 0.00 N ATOM 167 CA GLY A 10 -0.555 -11.678 -9.975 1.00 0.00 C ATOM 168 C GLY A 10 -0.434 -10.147 -10.034 1.00 0.00 C ATOM 169 O GLY A 10 -0.005 -9.592 -11.026 1.00 0.00 O ATOM 0 H GLY A 10 -0.155 -12.323 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.392 -12.139 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.302 -12.021 -10.690 1.00 0.00 H new ATOM 173 N ASP A 11 -0.804 -9.454 -8.983 1.00 0.00 N ATOM 174 CA ASP A 11 -0.704 -7.968 -8.994 1.00 0.00 C ATOM 175 C ASP A 11 0.711 -7.558 -8.602 1.00 0.00 C ATOM 176 O ASP A 11 1.373 -8.232 -7.838 1.00 0.00 O ATOM 177 CB ASP A 11 -1.694 -7.371 -7.992 1.00 0.00 C ATOM 178 CG ASP A 11 -3.117 -7.449 -8.554 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.398 -8.386 -9.284 1.00 0.00 O ATOM 180 OD2 ASP A 11 -3.903 -6.571 -8.240 1.00 0.00 O ATOM 0 H ASP A 11 -1.170 -9.857 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.937 -7.600 -9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.637 -7.910 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.433 -6.334 -7.784 1.00 0.00 H new ATOM 185 N SER A 12 1.179 -6.454 -9.110 1.00 0.00 N ATOM 186 CA SER A 12 2.548 -5.999 -8.758 1.00 0.00 C ATOM 187 C SER A 12 2.454 -4.633 -8.084 1.00 0.00 C ATOM 188 O SER A 12 1.754 -3.765 -8.538 1.00 0.00 O ATOM 189 CB SER A 12 3.397 -5.890 -10.025 1.00 0.00 C ATOM 190 OG SER A 12 4.332 -6.960 -10.056 1.00 0.00 O ATOM 0 H SER A 12 0.671 -5.848 -9.754 1.00 0.00 H new ATOM 0 HA SER A 12 3.013 -6.715 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.759 -5.923 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.920 -4.934 -10.045 1.00 0.00 H new ATOM 0 HG SER A 12 4.877 -6.895 -10.868 1.00 0.00 H new ATOM 196 N LEU A 13 3.156 -4.447 -7.005 1.00 0.00 N ATOM 197 CA LEU A 13 3.118 -3.139 -6.282 1.00 0.00 C ATOM 198 C LEU A 13 3.360 -2.004 -7.274 1.00 0.00 C ATOM 199 O LEU A 13 2.538 -1.114 -7.421 1.00 0.00 O ATOM 200 CB LEU A 13 4.209 -3.157 -5.208 1.00 0.00 C ATOM 201 CG LEU A 13 3.693 -3.874 -3.950 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.678 -2.994 -3.239 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.005 -5.193 -4.318 1.00 0.00 C ATOM 0 H LEU A 13 3.763 -5.151 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 13 2.146 -2.984 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.097 -3.663 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.505 -2.137 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 13 4.547 -4.076 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.314 -3.505 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.149 -2.054 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.841 -2.790 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.648 -5.682 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.161 -4.991 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.716 -5.845 -4.826 1.00 0.00 H new ATOM 215 N SER A 14 4.459 -2.030 -7.968 1.00 0.00 N ATOM 216 CA SER A 14 4.734 -0.952 -8.952 1.00 0.00 C ATOM 217 C SER A 14 3.623 -0.923 -10.017 1.00 0.00 C ATOM 218 O SER A 14 3.138 0.129 -10.401 1.00 0.00 O ATOM 219 CB SER A 14 6.079 -1.211 -9.628 1.00 0.00 C ATOM 220 OG SER A 14 6.391 -2.595 -9.534 1.00 0.00 O ATOM 0 H SER A 14 5.178 -2.750 -7.897 1.00 0.00 H new ATOM 0 HA SER A 14 4.763 0.007 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.039 -0.905 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.859 -0.617 -9.152 1.00 0.00 H new ATOM 0 HG SER A 14 7.253 -2.766 -9.968 1.00 0.00 H new ATOM 226 N SER A 15 3.218 -2.075 -10.497 1.00 0.00 N ATOM 227 CA SER A 15 2.143 -2.128 -11.536 1.00 0.00 C ATOM 228 C SER A 15 0.886 -1.449 -11.010 1.00 0.00 C ATOM 229 O SER A 15 0.268 -0.648 -11.682 1.00 0.00 O ATOM 230 CB SER A 15 1.827 -3.584 -11.875 1.00 0.00 C ATOM 231 OG SER A 15 2.721 -4.038 -12.881 1.00 0.00 O ATOM 0 H SER A 15 3.587 -2.982 -10.213 1.00 0.00 H new ATOM 0 HA SER A 15 2.487 -1.612 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.919 -4.205 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.797 -3.673 -12.221 1.00 0.00 H new ATOM 0 HG SER A 15 2.521 -4.972 -13.099 1.00 0.00 H new ATOM 237 N ILE A 16 0.519 -1.761 -9.809 1.00 0.00 N ATOM 238 CA ILE A 16 -0.683 -1.136 -9.204 1.00 0.00 C ATOM 239 C ILE A 16 -0.481 0.374 -9.213 1.00 0.00 C ATOM 240 O ILE A 16 -1.357 1.115 -9.600 1.00 0.00 O ATOM 241 CB ILE A 16 -0.866 -1.639 -7.770 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.489 -3.041 -7.791 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.799 -0.690 -7.023 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.555 -4.036 -7.099 1.00 0.00 C ATOM 0 H ILE A 16 1.004 -2.430 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.576 -1.398 -9.772 1.00 0.00 H new ATOM 0 HB ILE A 16 0.103 -1.679 -7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.456 -3.026 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.669 -3.353 -8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.934 -1.042 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.365 0.310 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.765 -0.659 -7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.003 -5.029 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.402 -4.060 -7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.397 -3.728 -6.065 1.00 0.00 H new ATOM 256 N ALA A 17 0.679 0.834 -8.816 1.00 0.00 N ATOM 257 CA ALA A 17 0.940 2.303 -8.835 1.00 0.00 C ATOM 258 C ALA A 17 0.608 2.849 -10.220 1.00 0.00 C ATOM 259 O ALA A 17 -0.056 3.852 -10.358 1.00 0.00 O ATOM 260 CB ALA A 17 2.412 2.577 -8.583 1.00 0.00 C ATOM 0 H ALA A 17 1.452 0.258 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 17 0.330 2.774 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.590 3.652 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.695 2.177 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.009 2.099 -9.359 1.00 0.00 H new ATOM 266 N LYS A 18 1.086 2.193 -11.250 1.00 0.00 N ATOM 267 CA LYS A 18 0.813 2.668 -12.640 1.00 0.00 C ATOM 268 C LYS A 18 -0.686 2.919 -12.821 1.00 0.00 C ATOM 269 O LYS A 18 -1.088 3.855 -13.483 1.00 0.00 O ATOM 270 CB LYS A 18 1.279 1.610 -13.641 1.00 0.00 C ATOM 271 CG LYS A 18 2.420 2.178 -14.486 1.00 0.00 C ATOM 272 CD LYS A 18 2.902 1.117 -15.476 1.00 0.00 C ATOM 273 CE LYS A 18 2.531 1.537 -16.898 1.00 0.00 C ATOM 274 NZ LYS A 18 3.231 0.658 -17.876 1.00 0.00 N ATOM 0 H LYS A 18 1.654 1.348 -11.186 1.00 0.00 H new ATOM 0 HA LYS A 18 1.354 3.598 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.612 0.716 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.450 1.311 -14.283 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.082 3.064 -15.023 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.243 2.490 -13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.982 0.991 -15.393 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.450 0.153 -15.241 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.452 1.468 -17.039 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.809 2.578 -17.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.978 0.944 -18.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.259 0.745 -17.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.945 -0.330 -17.722 1.00 0.00 H new ATOM 288 N ARG A 19 -1.514 2.099 -12.228 1.00 0.00 N ATOM 289 CA ARG A 19 -2.989 2.295 -12.356 1.00 0.00 C ATOM 290 C ARG A 19 -3.365 3.701 -11.878 1.00 0.00 C ATOM 291 O ARG A 19 -4.290 4.310 -12.378 1.00 0.00 O ATOM 292 CB ARG A 19 -3.709 1.257 -11.494 1.00 0.00 C ATOM 293 CG ARG A 19 -5.208 1.289 -11.796 1.00 0.00 C ATOM 294 CD ARG A 19 -5.669 -0.104 -12.224 1.00 0.00 C ATOM 295 NE ARG A 19 -7.067 -0.029 -12.734 1.00 0.00 N ATOM 296 CZ ARG A 19 -7.425 -0.746 -13.763 1.00 0.00 C ATOM 297 NH1 ARG A 19 -7.285 -2.043 -13.735 1.00 0.00 N ATOM 298 NH2 ARG A 19 -7.923 -0.166 -14.821 1.00 0.00 N ATOM 0 H ARG A 19 -1.232 1.300 -11.659 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.283 2.178 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.309 0.263 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.536 1.464 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.761 1.612 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.416 2.011 -12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.009 -0.496 -12.998 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.615 -0.792 -11.380 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.744 0.583 -12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.896 -2.496 -12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.565 -2.604 -14.540 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.032 0.848 -14.843 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.203 -0.727 -15.626 1.00 0.00 H new ATOM 312 N HIS A 20 -2.651 4.225 -10.919 1.00 0.00 N ATOM 313 CA HIS A 20 -2.960 5.594 -10.416 1.00 0.00 C ATOM 314 C HIS A 20 -1.791 6.539 -10.715 1.00 0.00 C ATOM 315 O HIS A 20 -1.723 7.623 -10.170 1.00 0.00 O ATOM 316 CB HIS A 20 -3.173 5.559 -8.896 1.00 0.00 C ATOM 317 CG HIS A 20 -3.281 4.138 -8.408 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.500 3.513 -8.211 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.330 3.217 -8.045 1.00 0.00 C ATOM 320 CE1 HIS A 20 -4.245 2.275 -7.748 1.00 0.00 C ATOM 321 NE2 HIS A 20 -2.943 2.046 -7.632 1.00 0.00 N ATOM 0 H HIS A 20 -1.865 3.763 -10.461 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.864 5.947 -10.913 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.344 6.059 -8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.079 6.108 -8.638 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.421 3.916 -8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.263 3.381 -8.077 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.010 1.554 -7.500 1.00 0.00 H new ATOM 329 N GLY A 21 -0.861 6.141 -11.555 1.00 0.00 N ATOM 330 CA GLY A 21 0.305 7.029 -11.844 1.00 0.00 C ATOM 331 C GLY A 21 0.895 7.474 -10.508 1.00 0.00 C ATOM 332 O GLY A 21 1.037 8.649 -10.235 1.00 0.00 O ATOM 0 H GLY A 21 -0.862 5.247 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.052 6.498 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.009 7.893 -12.430 1.00 0.00 H new ATOM 336 N VAL A 22 1.196 6.533 -9.654 1.00 0.00 N ATOM 337 CA VAL A 22 1.727 6.881 -8.309 1.00 0.00 C ATOM 338 C VAL A 22 3.122 6.284 -8.092 1.00 0.00 C ATOM 339 O VAL A 22 3.618 5.523 -8.900 1.00 0.00 O ATOM 340 CB VAL A 22 0.775 6.334 -7.252 1.00 0.00 C ATOM 341 CG1 VAL A 22 -0.270 7.390 -6.908 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.068 5.090 -7.770 1.00 0.00 C ATOM 0 H VAL A 22 1.096 5.534 -9.833 1.00 0.00 H new ATOM 0 HA VAL A 22 1.806 7.965 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 22 1.352 6.077 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.950 6.997 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.226 8.281 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.834 7.649 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.609 4.711 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.501 5.341 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.807 4.326 -8.012 1.00 0.00 H new ATOM 352 N ASN A 23 3.761 6.637 -7.002 1.00 0.00 N ATOM 353 CA ASN A 23 5.126 6.107 -6.718 1.00 0.00 C ATOM 354 C ASN A 23 5.063 5.065 -5.596 1.00 0.00 C ATOM 355 O ASN A 23 5.089 5.378 -4.413 1.00 0.00 O ATOM 356 CB ASN A 23 6.039 7.258 -6.297 1.00 0.00 C ATOM 357 CG ASN A 23 7.078 7.514 -7.389 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.673 6.589 -7.907 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.326 8.739 -7.764 1.00 0.00 N ATOM 0 H ASN A 23 3.391 7.273 -6.295 1.00 0.00 H new ATOM 0 HA ASN A 23 5.521 5.635 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.450 8.158 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.536 7.016 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.018 8.920 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.827 9.516 -7.330 1.00 0.00 H new ATOM 366 N ILE A 24 4.992 3.819 -5.954 1.00 0.00 N ATOM 367 CA ILE A 24 4.936 2.757 -4.919 1.00 0.00 C ATOM 368 C ILE A 24 6.074 2.962 -3.920 1.00 0.00 C ATOM 369 O ILE A 24 5.962 2.605 -2.767 1.00 0.00 O ATOM 370 CB ILE A 24 5.035 1.396 -5.589 1.00 0.00 C ATOM 371 CG1 ILE A 24 3.908 1.280 -6.592 1.00 0.00 C ATOM 372 CG2 ILE A 24 4.863 0.291 -4.568 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.557 1.376 -5.863 1.00 0.00 C ATOM 0 H ILE A 24 4.970 3.489 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 24 3.991 2.808 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 24 6.010 1.302 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.988 2.072 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.978 0.332 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.936 -0.677 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.643 0.371 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.886 0.383 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.746 1.292 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.478 0.569 -5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.488 2.335 -5.350 1.00 0.00 H new ATOM 385 N LYS A 25 7.156 3.575 -4.332 1.00 0.00 N ATOM 386 CA LYS A 25 8.254 3.841 -3.363 1.00 0.00 C ATOM 387 C LYS A 25 7.683 4.722 -2.253 1.00 0.00 C ATOM 388 O LYS A 25 7.926 4.497 -1.084 1.00 0.00 O ATOM 389 CB LYS A 25 9.420 4.560 -4.040 1.00 0.00 C ATOM 390 CG LYS A 25 8.907 5.507 -5.130 1.00 0.00 C ATOM 391 CD LYS A 25 9.688 6.822 -5.077 1.00 0.00 C ATOM 392 CE LYS A 25 11.182 6.538 -5.235 1.00 0.00 C ATOM 393 NZ LYS A 25 11.938 7.821 -5.195 1.00 0.00 N ATOM 0 H LYS A 25 7.322 3.898 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 25 8.632 2.899 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.988 5.123 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.101 3.830 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.020 5.044 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.843 5.698 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.349 7.490 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.502 7.329 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.524 5.877 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.368 6.023 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.954 7.629 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.618 8.437 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.770 8.295 -4.285 1.00 0.00 H new ATOM 407 N ASP A 26 6.881 5.701 -2.606 1.00 0.00 N ATOM 408 CA ASP A 26 6.255 6.552 -1.560 1.00 0.00 C ATOM 409 C ASP A 26 5.406 5.634 -0.708 1.00 0.00 C ATOM 410 O ASP A 26 5.376 5.734 0.504 1.00 0.00 O ATOM 411 CB ASP A 26 5.360 7.628 -2.178 1.00 0.00 C ATOM 412 CG ASP A 26 6.135 8.436 -3.219 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.353 8.366 -3.216 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.494 9.123 -3.997 1.00 0.00 O ATOM 0 H ASP A 26 6.639 5.941 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 26 7.027 7.059 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.491 7.163 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.987 8.292 -1.398 1.00 0.00 H new ATOM 419 N VAL A 27 4.742 4.708 -1.338 1.00 0.00 N ATOM 420 CA VAL A 27 3.926 3.739 -0.549 1.00 0.00 C ATOM 421 C VAL A 27 4.850 3.048 0.456 1.00 0.00 C ATOM 422 O VAL A 27 4.533 2.919 1.624 1.00 0.00 O ATOM 423 CB VAL A 27 3.308 2.694 -1.469 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.361 1.814 -0.655 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.535 3.407 -2.571 1.00 0.00 C ATOM 0 H VAL A 27 4.726 4.578 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 27 3.122 4.266 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 27 4.085 2.072 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.913 1.062 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.918 1.320 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.575 2.431 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.087 2.669 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.750 4.019 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.214 4.043 -3.138 1.00 0.00 H new ATOM 435 N MET A 28 6.015 2.638 0.017 1.00 0.00 N ATOM 436 CA MET A 28 6.974 1.997 0.955 1.00 0.00 C ATOM 437 C MET A 28 7.537 3.078 1.881 1.00 0.00 C ATOM 438 O MET A 28 8.136 2.794 2.897 1.00 0.00 O ATOM 439 CB MET A 28 8.120 1.350 0.173 1.00 0.00 C ATOM 440 CG MET A 28 7.564 0.631 -1.058 1.00 0.00 C ATOM 441 SD MET A 28 8.597 -0.805 -1.436 1.00 0.00 S ATOM 442 CE MET A 28 7.269 -1.892 -2.011 1.00 0.00 C ATOM 0 H MET A 28 6.338 2.721 -0.947 1.00 0.00 H new ATOM 0 HA MET A 28 6.466 1.226 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.839 2.110 -0.132 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.653 0.643 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.537 0.315 -0.875 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.542 1.311 -1.910 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.685 -2.861 -2.285 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.536 -2.024 -1.215 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.784 -1.446 -2.880 1.00 0.00 H new ATOM 452 N ARG A 29 7.346 4.323 1.529 1.00 0.00 N ATOM 453 CA ARG A 29 7.857 5.431 2.382 1.00 0.00 C ATOM 454 C ARG A 29 6.982 5.555 3.632 1.00 0.00 C ATOM 455 O ARG A 29 7.480 5.700 4.731 1.00 0.00 O ATOM 456 CB ARG A 29 7.814 6.743 1.594 1.00 0.00 C ATOM 457 CG ARG A 29 8.605 7.818 2.339 1.00 0.00 C ATOM 458 CD ARG A 29 8.179 9.198 1.834 1.00 0.00 C ATOM 459 NE ARG A 29 9.250 10.189 2.133 1.00 0.00 N ATOM 460 CZ ARG A 29 8.935 11.425 2.404 1.00 0.00 C ATOM 461 NH1 ARG A 29 9.039 12.342 1.482 1.00 0.00 N ATOM 462 NH2 ARG A 29 8.515 11.744 3.598 1.00 0.00 N ATOM 0 H ARG A 29 6.856 4.618 0.684 1.00 0.00 H new ATOM 0 HA ARG A 29 8.885 5.220 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.232 6.594 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.781 7.065 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.427 7.739 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.674 7.674 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.991 9.162 0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.246 9.500 2.311 1.00 0.00 H new ATOM 0 HE ARG A 29 10.229 9.901 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.367 12.092 0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.793 13.309 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.433 11.027 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.268 12.711 3.811 1.00 0.00 H new ATOM 476 N TRP A 30 5.682 5.493 3.484 1.00 0.00 N ATOM 477 CA TRP A 30 4.805 5.606 4.692 1.00 0.00 C ATOM 478 C TRP A 30 4.705 4.246 5.377 1.00 0.00 C ATOM 479 O TRP A 30 4.616 4.159 6.587 1.00 0.00 O ATOM 480 CB TRP A 30 3.404 6.076 4.298 1.00 0.00 C ATOM 481 CG TRP A 30 3.518 7.232 3.368 1.00 0.00 C ATOM 482 CD1 TRP A 30 3.969 8.463 3.698 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.184 7.281 1.960 1.00 0.00 C ATOM 484 NE1 TRP A 30 3.939 9.264 2.570 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.460 8.577 1.472 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.673 6.329 1.070 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.238 8.916 0.139 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.447 6.662 -0.268 1.00 0.00 C ATOM 489 CH2 TRP A 30 2.729 7.953 -0.736 1.00 0.00 C ATOM 0 H TRP A 30 5.196 5.371 2.596 1.00 0.00 H new ATOM 0 HA TRP A 30 5.243 6.336 5.373 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.856 5.263 3.821 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.841 6.363 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.298 8.770 4.680 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.234 10.240 2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.452 5.331 1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.457 9.913 -0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.052 5.920 -0.946 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.553 8.203 -1.772 1.00 0.00 H new ATOM 500 N ASN A 31 4.718 3.180 4.625 1.00 0.00 N ATOM 501 CA ASN A 31 4.625 1.838 5.259 1.00 0.00 C ATOM 502 C ASN A 31 6.033 1.316 5.535 1.00 0.00 C ATOM 503 O ASN A 31 6.918 1.426 4.715 1.00 0.00 O ATOM 504 CB ASN A 31 3.902 0.869 4.328 1.00 0.00 C ATOM 505 CG ASN A 31 2.470 1.357 4.089 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.556 0.949 4.775 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.235 2.220 3.135 1.00 0.00 N ATOM 0 H ASN A 31 4.788 3.181 3.607 1.00 0.00 H new ATOM 0 HA ASN A 31 4.068 1.919 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.434 0.794 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.888 -0.129 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.284 2.549 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.003 2.564 2.558 1.00 0.00 H new ATOM 514 N SER A 32 6.245 0.747 6.684 1.00 0.00 N ATOM 515 CA SER A 32 7.598 0.217 7.012 1.00 0.00 C ATOM 516 C SER A 32 7.643 -1.272 6.702 1.00 0.00 C ATOM 517 O SER A 32 8.626 -1.794 6.217 1.00 0.00 O ATOM 518 CB SER A 32 7.901 0.451 8.493 1.00 0.00 C ATOM 519 OG SER A 32 7.534 -0.704 9.240 1.00 0.00 O ATOM 0 H SER A 32 5.542 0.625 7.412 1.00 0.00 H new ATOM 0 HA SER A 32 8.347 0.734 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.961 0.664 8.629 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.352 1.321 8.855 1.00 0.00 H new ATOM 0 HG SER A 32 7.729 -0.556 10.189 1.00 0.00 H new ATOM 525 N ASP A 33 6.575 -1.949 6.967 1.00 0.00 N ATOM 526 CA ASP A 33 6.514 -3.404 6.683 1.00 0.00 C ATOM 527 C ASP A 33 5.357 -3.654 5.723 1.00 0.00 C ATOM 528 O ASP A 33 4.207 -3.669 6.113 1.00 0.00 O ATOM 529 CB ASP A 33 6.284 -4.175 7.984 1.00 0.00 C ATOM 530 CG ASP A 33 7.459 -3.935 8.932 1.00 0.00 C ATOM 531 OD1 ASP A 33 8.588 -4.035 8.481 1.00 0.00 O ATOM 532 OD2 ASP A 33 7.211 -3.651 10.092 1.00 0.00 O ATOM 0 H ASP A 33 5.727 -1.555 7.374 1.00 0.00 H new ATOM 0 HA ASP A 33 7.451 -3.741 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.354 -3.852 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.183 -5.240 7.775 1.00 0.00 H new ATOM 537 N THR A 34 5.649 -3.840 4.466 1.00 0.00 N ATOM 538 CA THR A 34 4.560 -4.074 3.482 1.00 0.00 C ATOM 539 C THR A 34 4.219 -5.568 3.422 1.00 0.00 C ATOM 540 O THR A 34 3.820 -6.084 2.392 1.00 0.00 O ATOM 541 CB THR A 34 5.011 -3.585 2.106 1.00 0.00 C ATOM 542 OG1 THR A 34 6.218 -4.238 1.742 1.00 0.00 O ATOM 543 CG2 THR A 34 5.237 -2.071 2.153 1.00 0.00 C ATOM 0 H THR A 34 6.593 -3.840 4.080 1.00 0.00 H new ATOM 0 HA THR A 34 3.670 -3.525 3.789 1.00 0.00 H new ATOM 0 HB THR A 34 4.242 -3.813 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.506 -3.925 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.559 -1.721 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.308 -1.573 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.006 -1.841 2.891 1.00 0.00 H new ATOM 551 N ALA A 35 4.341 -6.265 4.522 1.00 0.00 N ATOM 552 CA ALA A 35 3.997 -7.710 4.529 1.00 0.00 C ATOM 553 C ALA A 35 2.488 -7.871 4.338 1.00 0.00 C ATOM 554 O ALA A 35 1.989 -8.963 4.148 1.00 0.00 O ATOM 555 CB ALA A 35 4.414 -8.332 5.862 1.00 0.00 C ATOM 0 H ALA A 35 4.665 -5.892 5.414 1.00 0.00 H new ATOM 0 HA ALA A 35 4.524 -8.213 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.160 -9.392 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.489 -8.216 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.890 -7.832 6.677 1.00 0.00 H new ATOM 561 N ASN A 36 1.751 -6.788 4.369 1.00 0.00 N ATOM 562 CA ASN A 36 0.287 -6.881 4.171 1.00 0.00 C ATOM 563 C ASN A 36 -0.018 -6.937 2.671 1.00 0.00 C ATOM 564 O ASN A 36 -1.160 -6.970 2.274 1.00 0.00 O ATOM 565 CB ASN A 36 -0.391 -5.654 4.781 1.00 0.00 C ATOM 566 CG ASN A 36 0.014 -5.525 6.251 1.00 0.00 C ATOM 567 OD1 ASN A 36 -0.555 -6.170 7.108 1.00 0.00 O ATOM 568 ND2 ASN A 36 0.983 -4.714 6.579 1.00 0.00 N ATOM 0 H ASN A 36 2.109 -5.845 4.524 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.089 -7.782 4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.103 -4.757 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.474 -5.745 4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.262 -4.622 7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.461 -4.172 5.859 1.00 0.00 H new ATOM 575 N LEU A 37 0.986 -6.950 1.828 1.00 0.00 N ATOM 576 CA LEU A 37 0.707 -7.011 0.365 1.00 0.00 C ATOM 577 C LEU A 37 0.442 -8.468 -0.010 1.00 0.00 C ATOM 578 O LEU A 37 1.230 -9.110 -0.675 1.00 0.00 O ATOM 579 CB LEU A 37 1.908 -6.487 -0.426 1.00 0.00 C ATOM 580 CG LEU A 37 1.951 -4.955 -0.378 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.507 -4.447 0.995 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.379 -4.481 -0.642 1.00 0.00 C ATOM 0 H LEU A 37 1.972 -6.921 2.087 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.159 -6.393 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.830 -6.896 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.845 -6.823 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 37 1.275 -4.564 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.544 -3.358 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.488 -4.778 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.172 -4.843 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.413 -3.392 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.044 -4.888 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.700 -4.824 -1.626 1.00 0.00 H new ATOM 594 N GLN A 38 -0.674 -8.985 0.417 1.00 0.00 N ATOM 595 CA GLN A 38 -1.036 -10.386 0.109 1.00 0.00 C ATOM 596 C GLN A 38 -2.172 -10.345 -0.894 1.00 0.00 C ATOM 597 O GLN A 38 -2.783 -9.308 -1.074 1.00 0.00 O ATOM 598 CB GLN A 38 -1.495 -11.094 1.388 1.00 0.00 C ATOM 599 CG GLN A 38 -0.900 -10.389 2.608 1.00 0.00 C ATOM 600 CD GLN A 38 -1.203 -11.202 3.868 1.00 0.00 C ATOM 601 OE1 GLN A 38 -0.321 -11.472 4.656 1.00 0.00 O ATOM 602 NE2 GLN A 38 -2.424 -11.607 4.092 1.00 0.00 N ATOM 0 H GLN A 38 -1.362 -8.482 0.978 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.182 -10.929 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.583 -11.089 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.182 -12.138 1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.177 -10.276 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.317 -9.386 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.166 -11.380 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.636 -12.150 4.929 1.00 0.00 H new ATOM 611 N PRO A 39 -2.427 -11.454 -1.520 1.00 0.00 N ATOM 612 CA PRO A 39 -3.492 -11.538 -2.516 1.00 0.00 C ATOM 613 C PRO A 39 -4.850 -11.405 -1.833 1.00 0.00 C ATOM 614 O PRO A 39 -5.488 -12.373 -1.472 1.00 0.00 O ATOM 615 CB PRO A 39 -3.284 -12.908 -3.166 1.00 0.00 C ATOM 616 CG PRO A 39 -2.462 -13.741 -2.157 1.00 0.00 C ATOM 617 CD PRO A 39 -1.713 -12.724 -1.275 1.00 0.00 C ATOM 0 HA PRO A 39 -3.466 -10.744 -3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.240 -13.387 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.756 -12.813 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.112 -14.376 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.763 -14.399 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.747 -13.006 -0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.661 -12.652 -1.552 1.00 0.00 H new ATOM 625 N GLY A 40 -5.278 -10.187 -1.648 1.00 0.00 N ATOM 626 CA GLY A 40 -6.579 -9.927 -0.981 1.00 0.00 C ATOM 627 C GLY A 40 -6.399 -8.882 0.131 1.00 0.00 C ATOM 628 O GLY A 40 -7.282 -8.687 0.943 1.00 0.00 O ATOM 0 H GLY A 40 -4.771 -9.350 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.307 -9.572 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.973 -10.852 -0.561 1.00 0.00 H new ATOM 632 N ASP A 41 -5.274 -8.200 0.190 1.00 0.00 N ATOM 633 CA ASP A 41 -5.093 -7.182 1.268 1.00 0.00 C ATOM 634 C ASP A 41 -5.031 -5.785 0.649 1.00 0.00 C ATOM 635 O ASP A 41 -4.570 -5.612 -0.457 1.00 0.00 O ATOM 636 CB ASP A 41 -3.794 -7.464 2.015 1.00 0.00 C ATOM 637 CG ASP A 41 -4.062 -8.439 3.162 1.00 0.00 C ATOM 638 OD1 ASP A 41 -4.459 -9.556 2.882 1.00 0.00 O ATOM 639 OD2 ASP A 41 -3.862 -8.050 4.301 1.00 0.00 O ATOM 0 H ASP A 41 -4.489 -8.305 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.933 -7.233 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.055 -7.884 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.378 -6.535 2.404 1.00 0.00 H new ATOM 644 N LYS A 42 -5.496 -4.787 1.353 1.00 0.00 N ATOM 645 CA LYS A 42 -5.470 -3.406 0.792 1.00 0.00 C ATOM 646 C LYS A 42 -4.100 -2.763 1.033 1.00 0.00 C ATOM 647 O LYS A 42 -3.341 -3.185 1.883 1.00 0.00 O ATOM 648 CB LYS A 42 -6.568 -2.564 1.452 1.00 0.00 C ATOM 649 CG LYS A 42 -6.245 -2.347 2.933 1.00 0.00 C ATOM 650 CD LYS A 42 -7.106 -3.281 3.787 1.00 0.00 C ATOM 651 CE LYS A 42 -8.351 -2.535 4.269 1.00 0.00 C ATOM 652 NZ LYS A 42 -7.972 -1.577 5.345 1.00 0.00 N ATOM 0 H LYS A 42 -5.892 -4.869 2.290 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.649 -3.453 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.654 -1.603 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.531 -3.064 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.188 -2.540 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.433 -1.309 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.397 -4.156 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.532 -3.641 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.812 -2.001 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.090 -3.243 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.809 -1.351 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.242 -2.005 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.599 -0.705 4.918 1.00 0.00 H new ATOM 666 N LEU A 43 -3.774 -1.759 0.266 1.00 0.00 N ATOM 667 CA LEU A 43 -2.454 -1.089 0.407 1.00 0.00 C ATOM 668 C LEU A 43 -2.634 0.428 0.346 1.00 0.00 C ATOM 669 O LEU A 43 -3.369 0.940 -0.478 1.00 0.00 O ATOM 670 CB LEU A 43 -1.563 -1.520 -0.750 1.00 0.00 C ATOM 671 CG LEU A 43 -0.300 -2.212 -0.233 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.806 -2.027 -1.261 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.156 -1.606 1.098 1.00 0.00 C ATOM 0 H LEU A 43 -4.375 -1.371 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.006 -1.365 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.112 -2.196 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.288 -0.651 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.517 -3.268 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.715 -2.514 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.500 -2.471 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.996 -0.963 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.055 -2.117 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.371 -0.546 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.634 -1.723 1.840 1.00 0.00 H new ATOM 685 N THR A 44 -1.969 1.150 1.208 1.00 0.00 N ATOM 686 CA THR A 44 -2.099 2.627 1.202 1.00 0.00 C ATOM 687 C THR A 44 -1.390 3.212 -0.017 1.00 0.00 C ATOM 688 O THR A 44 -0.191 3.096 -0.167 1.00 0.00 O ATOM 689 CB THR A 44 -1.453 3.208 2.465 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.432 3.320 3.488 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.867 4.597 2.159 1.00 0.00 C ATOM 0 H THR A 44 -1.340 0.774 1.917 1.00 0.00 H new ATOM 0 HA THR A 44 -3.158 2.882 1.170 1.00 0.00 H new ATOM 0 HB THR A 44 -0.653 2.547 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.020 3.690 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.409 5.005 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.113 4.510 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.663 5.262 1.823 1.00 0.00 H new ATOM 699 N LEU A 45 -2.114 3.874 -0.872 1.00 0.00 N ATOM 700 CA LEU A 45 -1.471 4.506 -2.049 1.00 0.00 C ATOM 701 C LEU A 45 -1.495 6.016 -1.836 1.00 0.00 C ATOM 702 O LEU A 45 -1.979 6.758 -2.669 1.00 0.00 O ATOM 703 CB LEU A 45 -2.227 4.168 -3.339 1.00 0.00 C ATOM 704 CG LEU A 45 -1.716 2.858 -3.934 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.792 2.300 -4.854 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.453 3.117 -4.756 1.00 0.00 C ATOM 0 H LEU A 45 -3.123 4.004 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.451 4.135 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.294 4.087 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.103 4.975 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.486 2.155 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.447 1.363 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.703 2.121 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.998 3.016 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.094 2.178 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.681 3.813 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.317 3.545 -4.114 1.00 0.00 H new ATOM 718 N PHE A 46 -0.955 6.480 -0.732 1.00 0.00 N ATOM 719 CA PHE A 46 -0.917 7.951 -0.478 1.00 0.00 C ATOM 720 C PHE A 46 -0.254 8.613 -1.682 1.00 0.00 C ATOM 721 O PHE A 46 -0.436 9.783 -1.950 1.00 0.00 O ATOM 722 CB PHE A 46 -0.079 8.239 0.772 1.00 0.00 C ATOM 723 CG PHE A 46 -0.969 8.463 1.968 1.00 0.00 C ATOM 724 CD1 PHE A 46 -2.128 9.239 1.853 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.625 7.896 3.200 1.00 0.00 C ATOM 726 CE1 PHE A 46 -2.945 9.446 2.970 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.440 8.103 4.318 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.601 8.877 4.204 1.00 0.00 C ATOM 0 H PHE A 46 -0.541 5.903 0.000 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.926 8.334 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.595 7.404 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.543 9.119 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.392 9.678 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.270 7.298 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.840 10.044 2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.174 7.666 5.269 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.231 9.036 5.066 1.00 0.00 H new ATOM 738 N VAL A 47 0.520 7.835 -2.393 1.00 0.00 N ATOM 739 CA VAL A 47 1.240 8.306 -3.597 1.00 0.00 C ATOM 740 C VAL A 47 0.373 9.282 -4.399 1.00 0.00 C ATOM 741 O VAL A 47 -0.828 9.126 -4.504 1.00 0.00 O ATOM 742 CB VAL A 47 1.574 7.073 -4.446 1.00 0.00 C ATOM 743 CG1 VAL A 47 2.825 6.395 -3.907 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.435 6.049 -4.389 1.00 0.00 C ATOM 0 H VAL A 47 0.684 6.853 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 47 2.149 8.834 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 47 1.725 7.409 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.056 5.520 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.661 7.093 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.655 6.085 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.694 5.183 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.281 5.734 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.480 6.501 -4.771 1.00 0.00 H new ATOM 754 N LYS A 48 0.982 10.289 -4.965 1.00 0.00 N ATOM 755 CA LYS A 48 0.209 11.283 -5.763 1.00 0.00 C ATOM 756 C LYS A 48 -0.324 10.619 -7.033 1.00 0.00 C ATOM 757 O LYS A 48 0.483 10.285 -7.885 1.00 0.00 O ATOM 758 CB LYS A 48 1.124 12.448 -6.143 1.00 0.00 C ATOM 759 CG LYS A 48 0.368 13.768 -5.987 1.00 0.00 C ATOM 760 CD LYS A 48 1.004 14.590 -4.864 1.00 0.00 C ATOM 761 CE LYS A 48 -0.096 15.216 -4.003 1.00 0.00 C ATOM 762 NZ LYS A 48 -0.665 14.182 -3.093 1.00 0.00 N ATOM 763 OXT LYS A 48 -1.529 10.454 -7.132 1.00 0.00 O ATOM 0 H LYS A 48 1.985 10.466 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.628 11.653 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.011 12.448 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.467 12.333 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.395 14.328 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.681 13.574 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.643 13.954 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.639 15.370 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.310 16.044 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.880 15.627 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.572 14.517 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.818 13.300 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.003 14.006 -2.310 1.00 0.00 H new TER 777 LYS A 48