USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 MET CE :methyl -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.0874 (180deg=-1.01) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -121:sc= 1.36 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0806 K(o=-0.081,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= -0.261 (180deg=-1.13) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 35 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.2!) USER MOD Single : A 36 SER OG : rot -141:sc= 0.759 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.012) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0504) USER MOD Single : A 47 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.0062) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.437 0.945 -0.017 1.00 33.23 N ATOM 2 CA MET A 1 2.195 0.896 -0.780 1.00 62.03 C ATOM 3 C MET A 1 1.266 2.038 -0.381 1.00 61.01 C ATOM 4 O MET A 1 0.195 1.811 0.183 1.00 44.32 O ATOM 5 CB MET A 1 1.493 -0.446 -0.567 1.00 70.54 C ATOM 6 CG MET A 1 2.409 -1.646 -0.746 1.00 72.54 C ATOM 7 SD MET A 1 1.738 -2.868 -1.891 1.00 11.41 S ATOM 8 CE MET A 1 0.279 -3.401 -1.000 1.00 32.34 C ATOM 0 H1 MET A 1 4.223 0.613 -0.611 1.00 33.23 H new ATOM 0 H2 MET A 1 3.621 1.923 0.285 1.00 33.23 H new ATOM 0 H3 MET A 1 3.354 0.334 0.821 1.00 33.23 H new ATOM 0 HA MET A 1 2.442 1.005 -1.836 1.00 62.03 H new ATOM 0 HB2 MET A 1 1.069 -0.470 0.437 1.00 70.54 H new ATOM 0 HB3 MET A 1 0.661 -0.527 -1.267 1.00 70.54 H new ATOM 0 HG2 MET A 1 3.379 -1.307 -1.110 1.00 72.54 H new ATOM 0 HG3 MET A 1 2.579 -2.116 0.223 1.00 72.54 H new ATOM 0 HE1 MET A 1 -0.197 -4.221 -1.538 1.00 32.34 H new ATOM 0 HE2 MET A 1 0.564 -3.738 -0.003 1.00 32.34 H new ATOM 0 HE3 MET A 1 -0.420 -2.569 -0.915 1.00 32.34 H new ATOM 18 N ASP A 2 1.683 3.264 -0.677 1.00 14.33 N ATOM 19 CA ASP A 2 0.887 4.442 -0.349 1.00 60.31 C ATOM 20 C ASP A 2 0.349 5.103 -1.614 1.00 43.41 C ATOM 21 O ASP A 2 -0.862 5.202 -1.807 1.00 1.32 O ATOM 22 CB ASP A 2 1.724 5.443 0.449 1.00 34.10 C ATOM 23 CG ASP A 2 0.872 6.493 1.134 1.00 15.12 C ATOM 24 OD1 ASP A 2 0.518 7.492 0.474 1.00 15.24 O ATOM 25 OD2 ASP A 2 0.559 6.316 2.331 1.00 44.33 O ATOM 0 H ASP A 2 2.567 3.468 -1.143 1.00 14.33 H new ATOM 0 HA ASP A 2 0.041 4.122 0.259 1.00 60.31 H new ATOM 0 HB2 ASP A 2 2.308 4.908 1.198 1.00 34.10 H new ATOM 0 HB3 ASP A 2 2.433 5.933 -0.218 1.00 34.10 H new ATOM 30 N GLU A 3 1.259 5.555 -2.472 1.00 12.52 N ATOM 31 CA GLU A 3 0.875 6.210 -3.717 1.00 72.42 C ATOM 32 C GLU A 3 2.104 6.545 -4.557 1.00 72.54 C ATOM 33 O GLU A 3 2.169 6.216 -5.743 1.00 20.05 O ATOM 34 CB GLU A 3 0.080 7.484 -3.426 1.00 11.13 C ATOM 35 CG GLU A 3 -1.305 7.494 -4.050 1.00 72.13 C ATOM 36 CD GLU A 3 -1.269 7.745 -5.545 1.00 53.13 C ATOM 37 OE1 GLU A 3 -0.417 8.540 -5.994 1.00 23.43 O ATOM 38 OE2 GLU A 3 -2.094 7.146 -6.267 1.00 13.42 O ATOM 0 H GLU A 3 2.266 5.480 -2.328 1.00 12.52 H new ATOM 0 HA GLU A 3 0.247 5.520 -4.281 1.00 72.42 H new ATOM 0 HB2 GLU A 3 -0.016 7.603 -2.347 1.00 11.13 H new ATOM 0 HB3 GLU A 3 0.641 8.344 -3.793 1.00 11.13 H new ATOM 0 HG2 GLU A 3 -1.793 6.539 -3.857 1.00 72.13 H new ATOM 0 HG3 GLU A 3 -1.910 8.264 -3.571 1.00 72.13 H new ATOM 45 N THR A 4 3.078 7.202 -3.935 1.00 73.31 N ATOM 46 CA THR A 4 4.304 7.583 -4.624 1.00 51.32 C ATOM 47 C THR A 4 5.362 8.064 -3.638 1.00 22.21 C ATOM 48 O THR A 4 5.344 9.215 -3.205 1.00 11.13 O ATOM 49 CB THR A 4 4.044 8.692 -5.661 1.00 53.22 C ATOM 50 OG1 THR A 4 2.843 9.399 -5.332 1.00 35.20 O ATOM 51 CG2 THR A 4 3.927 8.108 -7.061 1.00 31.32 C ATOM 0 H THR A 4 3.041 7.481 -2.955 1.00 73.31 H new ATOM 0 HA THR A 4 4.667 6.693 -5.138 1.00 51.32 H new ATOM 0 HB THR A 4 4.888 9.381 -5.642 1.00 53.22 H new ATOM 0 HG1 THR A 4 2.686 10.103 -5.995 1.00 35.20 H new ATOM 0 HG21 THR A 4 3.744 8.910 -7.776 1.00 31.32 H new ATOM 0 HG22 THR A 4 4.854 7.596 -7.320 1.00 31.32 H new ATOM 0 HG23 THR A 4 3.100 7.399 -7.091 1.00 31.32 H new ATOM 59 N GLY A 5 6.285 7.173 -3.287 1.00 3.53 N ATOM 60 CA GLY A 5 7.339 7.526 -2.354 1.00 4.41 C ATOM 61 C GLY A 5 8.166 6.328 -1.933 1.00 24.10 C ATOM 62 O GLY A 5 9.218 6.055 -2.512 1.00 60.02 O ATOM 0 H GLY A 5 6.321 6.214 -3.632 1.00 3.53 H new ATOM 0 HA2 GLY A 5 7.990 8.271 -2.811 1.00 4.41 H new ATOM 0 HA3 GLY A 5 6.898 7.988 -1.471 1.00 4.41 H new ATOM 66 N LYS A 6 7.692 5.610 -0.920 1.00 43.13 N ATOM 67 CA LYS A 6 8.394 4.434 -0.421 1.00 24.13 C ATOM 68 C LYS A 6 8.157 3.232 -1.329 1.00 63.14 C ATOM 69 O LYS A 6 7.017 2.823 -1.547 1.00 3.00 O ATOM 70 CB LYS A 6 7.937 4.108 1.003 1.00 5.41 C ATOM 71 CG LYS A 6 8.961 4.467 2.067 1.00 35.41 C ATOM 72 CD LYS A 6 9.189 3.315 3.031 1.00 21.42 C ATOM 73 CE LYS A 6 10.600 3.335 3.599 1.00 30.22 C ATOM 74 NZ LYS A 6 10.638 2.848 5.006 1.00 4.42 N ATOM 0 H LYS A 6 6.824 5.823 -0.428 1.00 43.13 H new ATOM 0 HA LYS A 6 9.461 4.656 -0.413 1.00 24.13 H new ATOM 0 HB2 LYS A 6 7.009 4.641 1.209 1.00 5.41 H new ATOM 0 HB3 LYS A 6 7.714 3.043 1.069 1.00 5.41 H new ATOM 0 HG2 LYS A 6 9.904 4.736 1.590 1.00 35.41 H new ATOM 0 HG3 LYS A 6 8.622 5.343 2.619 1.00 35.41 H new ATOM 0 HD2 LYS A 6 8.467 3.372 3.845 1.00 21.42 H new ATOM 0 HD3 LYS A 6 9.016 2.369 2.517 1.00 21.42 H new ATOM 0 HE2 LYS A 6 11.249 2.714 2.982 1.00 30.22 H new ATOM 0 HE3 LYS A 6 10.995 4.350 3.555 1.00 30.22 H new ATOM 0 HZ1 LYS A 6 11.617 2.877 5.357 1.00 4.42 H new ATOM 0 HZ2 LYS A 6 10.039 3.456 5.600 1.00 4.42 H new ATOM 0 HZ3 LYS A 6 10.285 1.870 5.045 1.00 4.42 H new ATOM 88 N GLU A 7 9.241 2.670 -1.855 1.00 43.34 N ATOM 89 CA GLU A 7 9.149 1.515 -2.740 1.00 24.43 C ATOM 90 C GLU A 7 8.393 1.866 -4.018 1.00 0.24 C ATOM 91 O GLU A 7 7.944 0.983 -4.750 1.00 14.25 O ATOM 92 CB GLU A 7 8.455 0.353 -2.026 1.00 61.44 C ATOM 93 CG GLU A 7 9.075 -1.002 -2.325 1.00 34.31 C ATOM 94 CD GLU A 7 8.721 -2.047 -1.285 1.00 23.45 C ATOM 95 OE1 GLU A 7 7.514 -2.260 -1.044 1.00 42.12 O ATOM 96 OE2 GLU A 7 9.651 -2.652 -0.711 1.00 32.22 O ATOM 0 H GLU A 7 10.192 2.996 -1.684 1.00 43.34 H new ATOM 0 HA GLU A 7 10.161 1.215 -3.010 1.00 24.43 H new ATOM 0 HB2 GLU A 7 8.486 0.528 -0.951 1.00 61.44 H new ATOM 0 HB3 GLU A 7 7.404 0.335 -2.316 1.00 61.44 H new ATOM 0 HG2 GLU A 7 8.741 -1.342 -3.305 1.00 34.31 H new ATOM 0 HG3 GLU A 7 10.159 -0.898 -2.376 1.00 34.31 H new ATOM 103 N LEU A 8 8.256 3.161 -4.279 1.00 53.32 N ATOM 104 CA LEU A 8 7.553 3.631 -5.468 1.00 43.33 C ATOM 105 C LEU A 8 8.351 4.722 -6.176 1.00 53.12 C ATOM 106 O LEU A 8 9.200 5.377 -5.571 1.00 60.44 O ATOM 107 CB LEU A 8 6.168 4.160 -5.091 1.00 62.41 C ATOM 108 CG LEU A 8 4.991 3.232 -5.393 1.00 72.21 C ATOM 109 CD1 LEU A 8 3.682 3.871 -4.956 1.00 52.14 C ATOM 110 CD2 LEU A 8 4.950 2.887 -6.875 1.00 11.04 C ATOM 0 H LEU A 8 8.622 3.904 -3.684 1.00 53.32 H new ATOM 0 HA LEU A 8 7.440 2.788 -6.150 1.00 43.33 H new ATOM 0 HB2 LEU A 8 6.164 4.384 -4.024 1.00 62.41 H new ATOM 0 HB3 LEU A 8 6.006 5.102 -5.615 1.00 62.41 H new ATOM 0 HG LEU A 8 5.127 2.309 -4.829 1.00 72.21 H new ATOM 0 HD11 LEU A 8 2.855 3.196 -5.179 1.00 52.14 H new ATOM 0 HD12 LEU A 8 3.712 4.066 -3.884 1.00 52.14 H new ATOM 0 HD13 LEU A 8 3.539 4.809 -5.492 1.00 52.14 H new ATOM 0 HD21 LEU A 8 4.106 2.226 -7.071 1.00 11.04 H new ATOM 0 HD22 LEU A 8 4.838 3.801 -7.458 1.00 11.04 H new ATOM 0 HD23 LEU A 8 5.876 2.387 -7.158 1.00 11.04 H new ATOM 122 N VAL A 9 8.070 4.914 -7.461 1.00 72.12 N ATOM 123 CA VAL A 9 8.758 5.928 -8.251 1.00 62.22 C ATOM 124 C VAL A 9 7.765 6.872 -8.919 1.00 11.10 C ATOM 125 O VAL A 9 6.709 6.448 -9.390 1.00 15.23 O ATOM 126 CB VAL A 9 9.648 5.288 -9.333 1.00 62.31 C ATOM 127 CG1 VAL A 9 10.507 6.344 -10.012 1.00 30.21 C ATOM 128 CG2 VAL A 9 10.514 4.192 -8.730 1.00 72.53 C ATOM 0 H VAL A 9 7.370 4.380 -7.977 1.00 72.12 H new ATOM 0 HA VAL A 9 9.385 6.494 -7.562 1.00 62.22 H new ATOM 0 HB VAL A 9 9.004 4.837 -10.088 1.00 62.31 H new ATOM 0 HG11 VAL A 9 11.129 5.873 -10.773 1.00 30.21 H new ATOM 0 HG12 VAL A 9 9.865 7.090 -10.479 1.00 30.21 H new ATOM 0 HG13 VAL A 9 11.144 6.827 -9.271 1.00 30.21 H new ATOM 0 HG21 VAL A 9 11.136 3.751 -9.508 1.00 72.53 H new ATOM 0 HG22 VAL A 9 11.150 4.617 -7.954 1.00 72.53 H new ATOM 0 HG23 VAL A 9 9.876 3.422 -8.295 1.00 72.53 H new ATOM 138 N LEU A 10 8.110 8.154 -8.957 1.00 44.24 N ATOM 139 CA LEU A 10 7.249 9.161 -9.569 1.00 22.43 C ATOM 140 C LEU A 10 7.698 9.469 -10.994 1.00 21.44 C ATOM 141 O LEU A 10 8.883 9.683 -11.249 1.00 73.20 O ATOM 142 CB LEU A 10 7.255 10.441 -8.732 1.00 53.21 C ATOM 143 CG LEU A 10 6.541 10.364 -7.382 1.00 30.00 C ATOM 144 CD1 LEU A 10 7.492 10.731 -6.254 1.00 1.34 C ATOM 145 CD2 LEU A 10 5.321 11.273 -7.371 1.00 11.41 C ATOM 0 H LEU A 10 8.980 8.521 -8.571 1.00 44.24 H new ATOM 0 HA LEU A 10 6.235 8.763 -9.606 1.00 22.43 H new ATOM 0 HB2 LEU A 10 8.291 10.732 -8.556 1.00 53.21 H new ATOM 0 HB3 LEU A 10 6.796 11.237 -9.318 1.00 53.21 H new ATOM 0 HG LEU A 10 6.206 9.338 -7.228 1.00 30.00 H new ATOM 0 HD11 LEU A 10 6.967 10.671 -5.301 1.00 1.34 H new ATOM 0 HD12 LEU A 10 8.334 10.039 -6.248 1.00 1.34 H new ATOM 0 HD13 LEU A 10 7.858 11.747 -6.403 1.00 1.34 H new ATOM 0 HD21 LEU A 10 4.825 11.205 -6.403 1.00 11.41 H new ATOM 0 HD22 LEU A 10 5.633 12.302 -7.548 1.00 11.41 H new ATOM 0 HD23 LEU A 10 4.630 10.963 -8.155 1.00 11.41 H new ATOM 157 N ALA A 11 6.743 9.491 -11.918 1.00 1.05 N ATOM 158 CA ALA A 11 7.040 9.777 -13.316 1.00 15.23 C ATOM 159 C ALA A 11 6.953 11.273 -13.600 1.00 63.22 C ATOM 160 O ALA A 11 5.884 11.875 -13.491 1.00 45.43 O ATOM 161 CB ALA A 11 6.091 9.010 -14.224 1.00 74.42 C ATOM 0 H ALA A 11 5.757 9.314 -11.724 1.00 1.05 H new ATOM 0 HA ALA A 11 8.061 9.454 -13.519 1.00 15.23 H new ATOM 0 HB1 ALA A 11 6.324 9.233 -15.265 1.00 74.42 H new ATOM 0 HB2 ALA A 11 6.204 7.940 -14.048 1.00 74.42 H new ATOM 0 HB3 ALA A 11 5.064 9.306 -14.011 1.00 74.42 H new ATOM 167 N LEU A 12 8.084 11.867 -13.964 1.00 42.13 N ATOM 168 CA LEU A 12 8.137 13.294 -14.264 1.00 73.21 C ATOM 169 C LEU A 12 8.062 13.537 -15.768 1.00 14.40 C ATOM 170 O LEU A 12 7.530 14.553 -16.217 1.00 11.12 O ATOM 171 CB LEU A 12 9.420 13.907 -13.700 1.00 73.31 C ATOM 172 CG LEU A 12 9.699 15.358 -14.092 1.00 11.11 C ATOM 173 CD1 LEU A 12 10.124 16.167 -12.876 1.00 71.11 C ATOM 174 CD2 LEU A 12 10.764 15.422 -15.176 1.00 45.24 C ATOM 0 H LEU A 12 8.977 11.383 -14.059 1.00 42.13 H new ATOM 0 HA LEU A 12 7.277 13.771 -13.794 1.00 73.21 H new ATOM 0 HB2 LEU A 12 9.380 13.847 -12.612 1.00 73.31 H new ATOM 0 HB3 LEU A 12 10.263 13.296 -14.022 1.00 73.31 H new ATOM 0 HG LEU A 12 8.780 15.791 -14.488 1.00 11.11 H new ATOM 0 HD11 LEU A 12 10.318 17.197 -13.174 1.00 71.11 H new ATOM 0 HD12 LEU A 12 9.329 16.149 -12.131 1.00 71.11 H new ATOM 0 HD13 LEU A 12 11.030 15.735 -12.450 1.00 71.11 H new ATOM 0 HD21 LEU A 12 10.950 16.462 -15.443 1.00 45.24 H new ATOM 0 HD22 LEU A 12 11.686 14.972 -14.808 1.00 45.24 H new ATOM 0 HD23 LEU A 12 10.421 14.878 -16.056 1.00 45.24 H new ATOM 186 N TYR A 13 8.595 12.599 -16.541 1.00 64.43 N ATOM 187 CA TYR A 13 8.589 12.711 -17.995 1.00 2.10 C ATOM 188 C TYR A 13 9.200 11.471 -18.640 1.00 64.00 C ATOM 189 O TYR A 13 10.272 11.535 -19.243 1.00 53.22 O ATOM 190 CB TYR A 13 9.357 13.959 -18.434 1.00 60.02 C ATOM 191 CG TYR A 13 8.866 14.544 -19.739 1.00 11.21 C ATOM 192 CD1 TYR A 13 7.593 15.092 -19.842 1.00 31.43 C ATOM 193 CD2 TYR A 13 9.674 14.549 -20.869 1.00 41.00 C ATOM 194 CE1 TYR A 13 7.139 15.627 -21.032 1.00 24.11 C ATOM 195 CE2 TYR A 13 9.230 15.083 -22.063 1.00 14.42 C ATOM 196 CZ TYR A 13 7.962 15.621 -22.139 1.00 74.13 C ATOM 197 OH TYR A 13 7.515 16.153 -23.327 1.00 74.11 O ATOM 0 H TYR A 13 9.037 11.751 -16.185 1.00 64.43 H new ATOM 0 HA TYR A 13 7.553 12.795 -18.323 1.00 2.10 H new ATOM 0 HB2 TYR A 13 9.279 14.716 -17.654 1.00 60.02 H new ATOM 0 HB3 TYR A 13 10.414 13.710 -18.532 1.00 60.02 H new ATOM 0 HD1 TYR A 13 6.947 15.100 -18.976 1.00 31.43 H new ATOM 0 HD2 TYR A 13 10.667 14.128 -20.813 1.00 41.00 H new ATOM 0 HE1 TYR A 13 6.146 16.047 -21.095 1.00 24.11 H new ATOM 0 HE2 TYR A 13 9.872 15.079 -22.932 1.00 14.42 H new ATOM 0 HH TYR A 13 7.542 15.465 -24.024 1.00 74.11 H new ATOM 207 N ASP A 14 8.511 10.343 -18.509 1.00 12.25 N ATOM 208 CA ASP A 14 8.983 9.087 -19.079 1.00 41.24 C ATOM 209 C ASP A 14 9.343 9.261 -20.552 1.00 23.24 C ATOM 210 O ASP A 14 10.501 9.106 -20.940 1.00 43.02 O ATOM 211 CB ASP A 14 7.918 8.000 -18.927 1.00 12.41 C ATOM 212 CG ASP A 14 8.183 7.092 -17.743 1.00 31.14 C ATOM 213 OD1 ASP A 14 8.551 7.610 -16.667 1.00 42.25 O ATOM 214 OD2 ASP A 14 8.021 5.863 -17.890 1.00 62.35 O ATOM 0 H ASP A 14 7.623 10.273 -18.012 1.00 12.25 H new ATOM 0 HA ASP A 14 9.879 8.785 -18.537 1.00 41.24 H new ATOM 0 HB2 ASP A 14 6.940 8.467 -18.811 1.00 12.41 H new ATOM 0 HB3 ASP A 14 7.880 7.403 -19.838 1.00 12.41 H new ATOM 219 N TYR A 15 8.344 9.582 -21.366 1.00 21.12 N ATOM 220 CA TYR A 15 8.555 9.773 -22.796 1.00 13.02 C ATOM 221 C TYR A 15 9.022 8.479 -23.455 1.00 40.14 C ATOM 222 O TYR A 15 9.179 7.454 -22.793 1.00 2.24 O ATOM 223 CB TYR A 15 9.581 10.881 -23.038 1.00 13.41 C ATOM 224 CG TYR A 15 9.141 11.899 -24.066 1.00 65.14 C ATOM 225 CD1 TYR A 15 7.941 12.585 -23.925 1.00 63.10 C ATOM 226 CD2 TYR A 15 9.926 12.174 -25.180 1.00 32.22 C ATOM 227 CE1 TYR A 15 7.535 13.515 -24.862 1.00 65.05 C ATOM 228 CE2 TYR A 15 9.529 13.103 -26.121 1.00 54.34 C ATOM 229 CZ TYR A 15 8.333 13.771 -25.958 1.00 53.05 C ATOM 230 OH TYR A 15 7.933 14.697 -26.895 1.00 31.40 O ATOM 0 H TYR A 15 7.380 9.715 -21.060 1.00 21.12 H new ATOM 0 HA TYR A 15 7.604 10.064 -23.242 1.00 13.02 H new ATOM 0 HB2 TYR A 15 9.781 11.391 -22.096 1.00 13.41 H new ATOM 0 HB3 TYR A 15 10.519 10.431 -23.363 1.00 13.41 H new ATOM 0 HD1 TYR A 15 7.315 12.388 -23.068 1.00 63.10 H new ATOM 0 HD2 TYR A 15 10.862 11.652 -25.312 1.00 32.22 H new ATOM 0 HE1 TYR A 15 6.599 14.039 -24.738 1.00 65.05 H new ATOM 0 HE2 TYR A 15 10.151 13.306 -26.980 1.00 54.34 H new ATOM 0 HH TYR A 15 8.608 14.759 -27.603 1.00 31.40 H new ATOM 240 N GLN A 16 9.243 8.536 -24.765 1.00 13.32 N ATOM 241 CA GLN A 16 9.692 7.369 -25.515 1.00 0.51 C ATOM 242 C GLN A 16 11.180 7.118 -25.291 1.00 54.32 C ATOM 243 O GLN A 16 11.938 8.044 -25.003 1.00 71.43 O ATOM 244 CB GLN A 16 9.413 7.558 -27.007 1.00 62.31 C ATOM 245 CG GLN A 16 9.515 6.272 -27.812 1.00 41.20 C ATOM 246 CD GLN A 16 8.561 6.244 -28.990 1.00 3.10 C ATOM 247 OE1 GLN A 16 7.399 6.633 -28.872 1.00 0.31 O ATOM 248 NE2 GLN A 16 9.049 5.782 -30.136 1.00 15.33 N ATOM 0 H GLN A 16 9.118 9.377 -25.328 1.00 13.32 H new ATOM 0 HA GLN A 16 9.138 6.502 -25.156 1.00 0.51 H new ATOM 0 HB2 GLN A 16 8.414 7.977 -27.131 1.00 62.31 H new ATOM 0 HB3 GLN A 16 10.116 8.286 -27.410 1.00 62.31 H new ATOM 0 HG2 GLN A 16 10.536 6.154 -28.174 1.00 41.20 H new ATOM 0 HG3 GLN A 16 9.307 5.423 -27.161 1.00 41.20 H new ATOM 0 HE21 GLN A 16 10.019 5.470 -30.188 1.00 15.33 H new ATOM 0 HE22 GLN A 16 8.454 5.739 -30.963 1.00 15.33 H new ATOM 257 N GLU A 17 11.589 5.861 -25.425 1.00 63.25 N ATOM 258 CA GLU A 17 12.987 5.489 -25.236 1.00 74.05 C ATOM 259 C GLU A 17 13.673 5.253 -26.579 1.00 2.33 C ATOM 260 O GLU A 17 13.125 5.572 -27.634 1.00 43.32 O ATOM 261 CB GLU A 17 13.090 4.232 -24.370 1.00 62.25 C ATOM 262 CG GLU A 17 14.126 4.339 -23.264 1.00 30.31 C ATOM 263 CD GLU A 17 13.880 5.521 -22.347 1.00 2.10 C ATOM 264 OE1 GLU A 17 12.739 6.028 -22.326 1.00 74.50 O ATOM 265 OE2 GLU A 17 14.828 5.940 -21.651 1.00 44.21 O ATOM 0 H GLU A 17 10.974 5.083 -25.663 1.00 63.25 H new ATOM 0 HA GLU A 17 13.491 6.312 -24.730 1.00 74.05 H new ATOM 0 HB2 GLU A 17 12.116 4.026 -23.926 1.00 62.25 H new ATOM 0 HB3 GLU A 17 13.336 3.382 -25.006 1.00 62.25 H new ATOM 0 HG2 GLU A 17 14.121 3.421 -22.676 1.00 30.31 H new ATOM 0 HG3 GLU A 17 15.118 4.428 -23.708 1.00 30.31 H new ATOM 272 N LYS A 18 14.877 4.693 -26.530 1.00 70.14 N ATOM 273 CA LYS A 18 15.640 4.413 -27.741 1.00 23.13 C ATOM 274 C LYS A 18 15.868 2.914 -27.906 1.00 33.31 C ATOM 275 O LYS A 18 16.225 2.446 -28.987 1.00 71.10 O ATOM 276 CB LYS A 18 16.985 5.142 -27.700 1.00 41.14 C ATOM 277 CG LYS A 18 17.452 5.632 -29.060 1.00 43.11 C ATOM 278 CD LYS A 18 17.808 7.109 -29.028 1.00 64.15 C ATOM 279 CE LYS A 18 16.590 7.970 -28.730 1.00 64.32 C ATOM 280 NZ LYS A 18 16.621 8.512 -27.344 1.00 12.33 N ATOM 0 H LYS A 18 15.346 4.424 -25.665 1.00 70.14 H new ATOM 0 HA LYS A 18 15.064 4.771 -28.594 1.00 23.13 H new ATOM 0 HB2 LYS A 18 16.907 5.993 -27.023 1.00 41.14 H new ATOM 0 HB3 LYS A 18 17.739 4.473 -27.285 1.00 41.14 H new ATOM 0 HG2 LYS A 18 18.320 5.054 -29.378 1.00 43.11 H new ATOM 0 HG3 LYS A 18 16.668 5.462 -29.798 1.00 43.11 H new ATOM 0 HD2 LYS A 18 18.572 7.284 -28.271 1.00 64.15 H new ATOM 0 HD3 LYS A 18 18.236 7.402 -29.987 1.00 64.15 H new ATOM 0 HE2 LYS A 18 16.545 8.794 -29.442 1.00 64.32 H new ATOM 0 HE3 LYS A 18 15.685 7.379 -28.869 1.00 64.32 H new ATOM 0 HZ1 LYS A 18 15.699 8.354 -26.889 1.00 12.33 H new ATOM 0 HZ2 LYS A 18 17.363 8.029 -26.799 1.00 12.33 H new ATOM 0 HZ3 LYS A 18 16.822 9.532 -27.375 1.00 12.33 H new ATOM 294 N SER A 19 15.657 2.165 -26.828 1.00 1.43 N ATOM 295 CA SER A 19 15.842 0.719 -26.853 1.00 55.10 C ATOM 296 C SER A 19 15.093 0.096 -28.027 1.00 55.53 C ATOM 297 O SER A 19 14.195 0.701 -28.615 1.00 20.41 O ATOM 298 CB SER A 19 15.360 0.099 -25.540 1.00 11.31 C ATOM 299 OG SER A 19 16.453 -0.238 -24.704 1.00 64.30 O ATOM 0 H SER A 19 15.358 2.536 -25.926 1.00 1.43 H new ATOM 0 HA SER A 19 16.906 0.516 -26.974 1.00 55.10 H new ATOM 0 HB2 SER A 19 14.705 0.799 -25.022 1.00 11.31 H new ATOM 0 HB3 SER A 19 14.770 -0.793 -25.750 1.00 11.31 H new ATOM 0 HG SER A 19 16.119 -0.631 -23.871 1.00 64.30 H new ATOM 305 N PRO A 20 15.469 -1.142 -28.379 1.00 3.05 N ATOM 306 CA PRO A 20 14.847 -1.875 -29.485 1.00 34.02 C ATOM 307 C PRO A 20 13.415 -2.294 -29.169 1.00 71.42 C ATOM 308 O PRO A 20 12.697 -2.789 -30.039 1.00 1.15 O ATOM 309 CB PRO A 20 15.742 -3.106 -29.643 1.00 30.52 C ATOM 310 CG PRO A 20 16.361 -3.299 -28.302 1.00 30.44 C ATOM 311 CD PRO A 20 16.532 -1.922 -27.722 1.00 71.34 C ATOM 0 HA PRO A 20 14.773 -1.267 -30.387 1.00 34.02 H new ATOM 0 HB2 PRO A 20 15.164 -3.980 -29.942 1.00 30.52 H new ATOM 0 HB3 PRO A 20 16.500 -2.948 -30.410 1.00 30.52 H new ATOM 0 HG2 PRO A 20 15.727 -3.915 -27.664 1.00 30.44 H new ATOM 0 HG3 PRO A 20 17.321 -3.809 -28.385 1.00 30.44 H new ATOM 0 HD2 PRO A 20 16.417 -1.925 -26.638 1.00 71.34 H new ATOM 0 HD3 PRO A 20 17.520 -1.515 -27.936 1.00 71.34 H new ATOM 319 N ARG A 21 13.006 -2.093 -27.921 1.00 31.42 N ATOM 320 CA ARG A 21 11.660 -2.452 -27.491 1.00 13.42 C ATOM 321 C ARG A 21 10.662 -1.357 -27.859 1.00 21.20 C ATOM 322 O ARG A 21 9.477 -1.625 -28.051 1.00 55.33 O ATOM 323 CB ARG A 21 11.631 -2.695 -25.981 1.00 25.32 C ATOM 324 CG ARG A 21 12.156 -1.525 -25.165 1.00 41.01 C ATOM 325 CD ARG A 21 13.152 -1.983 -24.111 1.00 15.24 C ATOM 326 NE ARG A 21 12.655 -3.126 -23.349 1.00 64.13 N ATOM 327 CZ ARG A 21 13.370 -3.761 -22.427 1.00 0.22 C ATOM 328 NH1 ARG A 21 14.605 -3.365 -22.152 1.00 64.24 N ATOM 329 NH2 ARG A 21 12.849 -4.793 -21.776 1.00 71.23 N ATOM 0 H ARG A 21 13.587 -1.683 -27.190 1.00 31.42 H new ATOM 0 HA ARG A 21 11.374 -3.370 -28.005 1.00 13.42 H new ATOM 0 HB2 ARG A 21 10.607 -2.909 -25.676 1.00 25.32 H new ATOM 0 HB3 ARG A 21 12.224 -3.581 -25.753 1.00 25.32 H new ATOM 0 HG2 ARG A 21 12.632 -0.803 -25.828 1.00 41.01 H new ATOM 0 HG3 ARG A 21 11.323 -1.014 -24.682 1.00 41.01 H new ATOM 0 HD2 ARG A 21 14.093 -2.250 -24.593 1.00 15.24 H new ATOM 0 HD3 ARG A 21 13.365 -1.158 -23.431 1.00 15.24 H new ATOM 0 HE ARG A 21 11.707 -3.454 -23.535 1.00 64.13 H new ATOM 0 HH11 ARG A 21 15.008 -2.571 -22.649 1.00 64.24 H new ATOM 0 HH12 ARG A 21 15.152 -3.854 -21.444 1.00 64.24 H new ATOM 0 HH21 ARG A 21 11.899 -5.100 -21.983 1.00 71.23 H new ATOM 0 HH22 ARG A 21 13.399 -5.280 -21.068 1.00 71.23 H new ATOM 343 N GLU A 22 11.152 -0.125 -27.954 1.00 53.14 N ATOM 344 CA GLU A 22 10.302 1.009 -28.298 1.00 42.30 C ATOM 345 C GLU A 22 9.144 1.139 -27.313 1.00 54.34 C ATOM 346 O GLU A 22 8.105 0.498 -27.472 1.00 33.04 O ATOM 347 CB GLU A 22 9.762 0.857 -29.721 1.00 54.44 C ATOM 348 CG GLU A 22 10.692 1.410 -30.788 1.00 11.10 C ATOM 349 CD GLU A 22 10.068 1.397 -32.170 1.00 62.41 C ATOM 350 OE1 GLU A 22 9.166 0.567 -32.406 1.00 74.32 O ATOM 351 OE2 GLU A 22 10.483 2.217 -33.016 1.00 22.24 O ATOM 0 H GLU A 22 12.131 0.113 -27.798 1.00 53.14 H new ATOM 0 HA GLU A 22 10.907 1.914 -28.242 1.00 42.30 H new ATOM 0 HB2 GLU A 22 9.581 -0.199 -29.921 1.00 54.44 H new ATOM 0 HB3 GLU A 22 8.800 1.364 -29.791 1.00 54.44 H new ATOM 0 HG2 GLU A 22 10.970 2.432 -30.529 1.00 11.10 H new ATOM 0 HG3 GLU A 22 11.611 0.824 -30.803 1.00 11.10 H new ATOM 358 N VAL A 23 9.330 1.974 -26.296 1.00 23.23 N ATOM 359 CA VAL A 23 8.302 2.189 -25.285 1.00 52.20 C ATOM 360 C VAL A 23 8.269 3.646 -24.836 1.00 23.33 C ATOM 361 O VAL A 23 9.312 4.280 -24.669 1.00 32.42 O ATOM 362 CB VAL A 23 8.526 1.289 -24.055 1.00 52.15 C ATOM 363 CG1 VAL A 23 8.191 -0.158 -24.385 1.00 13.35 C ATOM 364 CG2 VAL A 23 9.958 1.413 -23.559 1.00 2.44 C ATOM 0 H VAL A 23 10.184 2.513 -26.150 1.00 23.23 H new ATOM 0 HA VAL A 23 7.348 1.931 -25.745 1.00 52.20 H new ATOM 0 HB VAL A 23 7.860 1.619 -23.258 1.00 52.15 H new ATOM 0 HG11 VAL A 23 8.355 -0.779 -23.505 1.00 13.35 H new ATOM 0 HG12 VAL A 23 7.147 -0.229 -24.690 1.00 13.35 H new ATOM 0 HG13 VAL A 23 8.831 -0.503 -25.197 1.00 13.35 H new ATOM 0 HG21 VAL A 23 10.099 0.771 -22.690 1.00 2.44 H new ATOM 0 HG22 VAL A 23 10.644 1.110 -24.349 1.00 2.44 H new ATOM 0 HG23 VAL A 23 10.159 2.448 -23.282 1.00 2.44 H new ATOM 374 N THR A 24 7.064 4.172 -24.641 1.00 3.45 N ATOM 375 CA THR A 24 6.895 5.555 -24.211 1.00 32.30 C ATOM 376 C THR A 24 5.799 5.673 -23.158 1.00 22.24 C ATOM 377 O THR A 24 4.728 5.083 -23.294 1.00 61.41 O ATOM 378 CB THR A 24 6.551 6.474 -25.398 1.00 71.23 C ATOM 379 OG1 THR A 24 6.591 7.844 -24.985 1.00 14.14 O ATOM 380 CG2 THR A 24 5.173 6.146 -25.955 1.00 4.53 C ATOM 0 H THR A 24 6.191 3.662 -24.774 1.00 3.45 H new ATOM 0 HA THR A 24 7.845 5.870 -23.780 1.00 32.30 H new ATOM 0 HB THR A 24 7.290 6.310 -26.182 1.00 71.23 H new ATOM 0 HG1 THR A 24 6.373 8.422 -25.746 1.00 14.14 H new ATOM 0 HG21 THR A 24 4.952 6.808 -26.792 1.00 4.53 H new ATOM 0 HG22 THR A 24 5.155 5.111 -26.296 1.00 4.53 H new ATOM 0 HG23 THR A 24 4.423 6.284 -25.176 1.00 4.53 H new ATOM 388 N MET A 25 6.075 6.440 -22.108 1.00 34.54 N ATOM 389 CA MET A 25 5.110 6.636 -21.032 1.00 1.15 C ATOM 390 C MET A 25 4.873 8.122 -20.779 1.00 31.43 C ATOM 391 O MET A 25 5.685 8.964 -21.161 1.00 0.43 O ATOM 392 CB MET A 25 5.600 5.960 -19.749 1.00 54.32 C ATOM 393 CG MET A 25 4.799 4.725 -19.369 1.00 50.34 C ATOM 394 SD MET A 25 3.164 5.129 -18.725 1.00 72.43 S ATOM 395 CE MET A 25 2.223 3.707 -19.275 1.00 25.44 C ATOM 0 H MET A 25 6.957 6.935 -21.979 1.00 34.54 H new ATOM 0 HA MET A 25 4.167 6.182 -21.336 1.00 1.15 H new ATOM 0 HB2 MET A 25 6.646 5.681 -19.872 1.00 54.32 H new ATOM 0 HB3 MET A 25 5.556 6.678 -18.930 1.00 54.32 H new ATOM 0 HG2 MET A 25 4.692 4.083 -20.243 1.00 50.34 H new ATOM 0 HG3 MET A 25 5.350 4.156 -18.620 1.00 50.34 H new ATOM 0 HE1 MET A 25 1.187 3.809 -18.952 1.00 25.44 H new ATOM 0 HE2 MET A 25 2.260 3.645 -20.363 1.00 25.44 H new ATOM 0 HE3 MET A 25 2.649 2.800 -18.845 1.00 25.44 H new ATOM 405 N LYS A 26 3.755 8.436 -20.133 1.00 1.20 N ATOM 406 CA LYS A 26 3.411 9.820 -19.828 1.00 33.31 C ATOM 407 C LYS A 26 3.651 10.128 -18.353 1.00 71.34 C ATOM 408 O LYS A 26 3.290 9.342 -17.477 1.00 72.43 O ATOM 409 CB LYS A 26 1.948 10.094 -20.185 1.00 61.43 C ATOM 410 CG LYS A 26 1.757 11.308 -21.077 1.00 41.03 C ATOM 411 CD LYS A 26 0.285 11.604 -21.308 1.00 53.40 C ATOM 412 CE LYS A 26 0.066 13.051 -21.723 1.00 12.31 C ATOM 413 NZ LYS A 26 -1.382 13.389 -21.815 1.00 23.04 N ATOM 0 H LYS A 26 3.072 7.751 -19.811 1.00 1.20 H new ATOM 0 HA LYS A 26 4.052 10.468 -20.426 1.00 33.31 H new ATOM 0 HB2 LYS A 26 1.534 9.218 -20.684 1.00 61.43 H new ATOM 0 HB3 LYS A 26 1.379 10.235 -19.266 1.00 61.43 H new ATOM 0 HG2 LYS A 26 2.236 12.174 -20.621 1.00 41.03 H new ATOM 0 HG3 LYS A 26 2.250 11.138 -22.034 1.00 41.03 H new ATOM 0 HD2 LYS A 26 -0.104 10.940 -22.080 1.00 53.40 H new ATOM 0 HD3 LYS A 26 -0.276 11.397 -20.397 1.00 53.40 H new ATOM 0 HE2 LYS A 26 0.548 13.712 -21.003 1.00 12.31 H new ATOM 0 HE3 LYS A 26 0.542 13.228 -22.687 1.00 12.31 H new ATOM 0 HZ1 LYS A 26 -1.489 14.383 -22.100 1.00 23.04 H new ATOM 0 HZ2 LYS A 26 -1.838 12.775 -22.520 1.00 23.04 H new ATOM 0 HZ3 LYS A 26 -1.832 13.244 -20.888 1.00 23.04 H new ATOM 427 N LYS A 27 4.261 11.277 -18.086 1.00 3.14 N ATOM 428 CA LYS A 27 4.548 11.691 -16.717 1.00 54.32 C ATOM 429 C LYS A 27 3.305 11.571 -15.841 1.00 72.20 C ATOM 430 O LYS A 27 2.193 11.864 -16.280 1.00 24.14 O ATOM 431 CB LYS A 27 5.062 13.133 -16.696 1.00 31.53 C ATOM 432 CG LYS A 27 3.977 14.169 -16.932 1.00 0.01 C ATOM 433 CD LYS A 27 3.492 14.776 -15.626 1.00 50.01 C ATOM 434 CE LYS A 27 2.488 15.892 -15.869 1.00 51.34 C ATOM 435 NZ LYS A 27 1.900 16.396 -14.597 1.00 53.25 N ATOM 0 H LYS A 27 4.567 11.939 -18.799 1.00 3.14 H new ATOM 0 HA LYS A 27 5.318 11.031 -16.318 1.00 54.32 H new ATOM 0 HB2 LYS A 27 5.535 13.327 -15.733 1.00 31.53 H new ATOM 0 HB3 LYS A 27 5.833 13.246 -17.458 1.00 31.53 H new ATOM 0 HG2 LYS A 27 4.360 14.957 -17.580 1.00 0.01 H new ATOM 0 HG3 LYS A 27 3.139 13.707 -17.453 1.00 0.01 H new ATOM 0 HD2 LYS A 27 3.034 14.001 -15.011 1.00 50.01 H new ATOM 0 HD3 LYS A 27 4.343 15.166 -15.067 1.00 50.01 H new ATOM 0 HE2 LYS A 27 2.977 16.713 -16.393 1.00 51.34 H new ATOM 0 HE3 LYS A 27 1.691 15.529 -16.518 1.00 51.34 H new ATOM 0 HZ1 LYS A 27 1.221 17.156 -14.805 1.00 53.25 H new ATOM 0 HZ2 LYS A 27 1.411 15.619 -14.109 1.00 53.25 H new ATOM 0 HZ3 LYS A 27 2.657 16.766 -13.987 1.00 53.25 H new ATOM 449 N GLY A 28 3.501 11.138 -14.599 1.00 42.40 N ATOM 450 CA GLY A 28 2.387 10.988 -13.681 1.00 4.41 C ATOM 451 C GLY A 28 2.025 9.536 -13.442 1.00 12.24 C ATOM 452 O GLY A 28 1.282 9.220 -12.512 1.00 72.14 O ATOM 0 H GLY A 28 4.411 10.889 -14.212 1.00 42.40 H new ATOM 0 HA2 GLY A 28 2.638 11.458 -12.730 1.00 4.41 H new ATOM 0 HA3 GLY A 28 1.519 11.515 -14.078 1.00 4.41 H new ATOM 456 N ASP A 29 2.549 8.651 -14.282 1.00 54.25 N ATOM 457 CA ASP A 29 2.275 7.224 -14.158 1.00 43.15 C ATOM 458 C ASP A 29 3.035 6.626 -12.979 1.00 21.23 C ATOM 459 O ASP A 29 3.950 7.247 -12.438 1.00 44.30 O ATOM 460 CB ASP A 29 2.656 6.496 -15.449 1.00 4.25 C ATOM 461 CG ASP A 29 2.046 5.111 -15.534 1.00 1.03 C ATOM 462 OD1 ASP A 29 0.841 5.012 -15.846 1.00 2.20 O ATOM 463 OD2 ASP A 29 2.773 4.126 -15.287 1.00 61.32 O ATOM 0 H ASP A 29 3.166 8.896 -15.056 1.00 54.25 H new ATOM 0 HA ASP A 29 1.207 7.098 -13.980 1.00 43.15 H new ATOM 0 HB2 ASP A 29 2.330 7.086 -16.305 1.00 4.25 H new ATOM 0 HB3 ASP A 29 3.741 6.416 -15.511 1.00 4.25 H new ATOM 468 N ILE A 30 2.649 5.417 -12.584 1.00 52.24 N ATOM 469 CA ILE A 30 3.294 4.736 -11.469 1.00 34.31 C ATOM 470 C ILE A 30 4.119 3.548 -11.953 1.00 41.41 C ATOM 471 O ILE A 30 3.600 2.643 -12.608 1.00 43.42 O ATOM 472 CB ILE A 30 2.261 4.242 -10.438 1.00 4.51 C ATOM 473 CG1 ILE A 30 1.439 5.417 -9.905 1.00 52.51 C ATOM 474 CG2 ILE A 30 2.958 3.516 -9.297 1.00 31.10 C ATOM 475 CD1 ILE A 30 -0.009 5.388 -10.341 1.00 35.04 C ATOM 0 H ILE A 30 1.893 4.889 -13.020 1.00 52.24 H new ATOM 0 HA ILE A 30 3.952 5.463 -10.993 1.00 34.31 H new ATOM 0 HB ILE A 30 1.585 3.542 -10.929 1.00 4.51 H new ATOM 0 HG12 ILE A 30 1.482 5.416 -8.816 1.00 52.51 H new ATOM 0 HG13 ILE A 30 1.893 6.349 -10.241 1.00 52.51 H new ATOM 0 HG21 ILE A 30 2.215 3.173 -8.577 1.00 31.10 H new ATOM 0 HG22 ILE A 30 3.504 2.659 -9.691 1.00 31.10 H new ATOM 0 HG23 ILE A 30 3.654 4.195 -8.805 1.00 31.10 H new ATOM 0 HD11 ILE A 30 -0.531 6.250 -9.926 1.00 35.04 H new ATOM 0 HD12 ILE A 30 -0.062 5.420 -11.429 1.00 35.04 H new ATOM 0 HD13 ILE A 30 -0.479 4.472 -9.982 1.00 35.04 H new ATOM 487 N LEU A 31 5.406 3.557 -11.625 1.00 43.13 N ATOM 488 CA LEU A 31 6.305 2.480 -12.025 1.00 31.51 C ATOM 489 C LEU A 31 6.944 1.823 -10.805 1.00 75.44 C ATOM 490 O LEU A 31 7.780 2.423 -10.129 1.00 71.34 O ATOM 491 CB LEU A 31 7.392 3.015 -12.958 1.00 3.21 C ATOM 492 CG LEU A 31 7.025 3.097 -14.440 1.00 14.11 C ATOM 493 CD1 LEU A 31 6.557 4.499 -14.797 1.00 53.31 C ATOM 494 CD2 LEU A 31 8.208 2.691 -15.306 1.00 70.22 C ATOM 0 H LEU A 31 5.851 4.298 -11.083 1.00 43.13 H new ATOM 0 HA LEU A 31 5.719 1.729 -12.554 1.00 31.51 H new ATOM 0 HB2 LEU A 31 7.675 4.011 -12.619 1.00 3.21 H new ATOM 0 HB3 LEU A 31 8.273 2.381 -12.857 1.00 3.21 H new ATOM 0 HG LEU A 31 6.206 2.403 -14.631 1.00 14.11 H new ATOM 0 HD11 LEU A 31 6.300 4.538 -15.856 1.00 53.31 H new ATOM 0 HD12 LEU A 31 5.680 4.753 -14.201 1.00 53.31 H new ATOM 0 HD13 LEU A 31 7.355 5.212 -14.590 1.00 53.31 H new ATOM 0 HD21 LEU A 31 7.928 2.755 -16.358 1.00 70.22 H new ATOM 0 HD22 LEU A 31 9.047 3.359 -15.112 1.00 70.22 H new ATOM 0 HD23 LEU A 31 8.497 1.667 -15.070 1.00 70.22 H new ATOM 506 N THR A 32 6.545 0.584 -10.530 1.00 45.30 N ATOM 507 CA THR A 32 7.079 -0.155 -9.393 1.00 61.01 C ATOM 508 C THR A 32 8.197 -1.096 -9.825 1.00 64.45 C ATOM 509 O THR A 32 7.961 -2.071 -10.540 1.00 73.33 O ATOM 510 CB THR A 32 5.980 -0.972 -8.688 1.00 52.31 C ATOM 511 OG1 THR A 32 4.811 -1.034 -9.513 1.00 12.04 O ATOM 512 CG2 THR A 32 5.626 -0.355 -7.343 1.00 51.03 C ATOM 0 H THR A 32 5.854 0.072 -11.079 1.00 45.30 H new ATOM 0 HA THR A 32 7.477 0.582 -8.696 1.00 61.01 H new ATOM 0 HB THR A 32 6.359 -1.980 -8.519 1.00 52.31 H new ATOM 0 HG1 THR A 32 4.117 -1.556 -9.059 1.00 12.04 H new ATOM 0 HG21 THR A 32 4.848 -0.949 -6.864 1.00 51.03 H new ATOM 0 HG22 THR A 32 6.511 -0.336 -6.707 1.00 51.03 H new ATOM 0 HG23 THR A 32 5.265 0.662 -7.493 1.00 51.03 H new ATOM 520 N LEU A 33 9.416 -0.800 -9.388 1.00 21.13 N ATOM 521 CA LEU A 33 10.572 -1.621 -9.729 1.00 64.31 C ATOM 522 C LEU A 33 10.655 -2.847 -8.826 1.00 23.54 C ATOM 523 O LEU A 33 10.467 -2.752 -7.612 1.00 53.22 O ATOM 524 CB LEU A 33 11.858 -0.800 -9.613 1.00 71.41 C ATOM 525 CG LEU A 33 12.264 -0.385 -8.199 1.00 31.45 C ATOM 526 CD1 LEU A 33 13.310 -1.339 -7.642 1.00 35.22 C ATOM 527 CD2 LEU A 33 12.786 1.044 -8.191 1.00 55.11 C ATOM 0 H LEU A 33 9.629 0.003 -8.796 1.00 21.13 H new ATOM 0 HA LEU A 33 10.455 -1.959 -10.759 1.00 64.31 H new ATOM 0 HB2 LEU A 33 12.674 -1.376 -10.049 1.00 71.41 H new ATOM 0 HB3 LEU A 33 11.746 0.101 -10.216 1.00 71.41 H new ATOM 0 HG LEU A 33 11.382 -0.432 -7.561 1.00 31.45 H new ATOM 0 HD11 LEU A 33 13.587 -1.028 -6.635 1.00 35.22 H new ATOM 0 HD12 LEU A 33 12.901 -2.349 -7.610 1.00 35.22 H new ATOM 0 HD13 LEU A 33 14.193 -1.325 -8.281 1.00 35.22 H new ATOM 0 HD21 LEU A 33 13.070 1.322 -7.176 1.00 55.11 H new ATOM 0 HD22 LEU A 33 13.656 1.117 -8.844 1.00 55.11 H new ATOM 0 HD23 LEU A 33 12.007 1.718 -8.547 1.00 55.11 H new ATOM 539 N LEU A 34 10.940 -3.999 -9.424 1.00 45.42 N ATOM 540 CA LEU A 34 11.051 -5.245 -8.673 1.00 41.54 C ATOM 541 C LEU A 34 12.440 -5.390 -8.061 1.00 5.31 C ATOM 542 O LEU A 34 12.591 -5.904 -6.953 1.00 53.25 O ATOM 543 CB LEU A 34 10.755 -6.439 -9.582 1.00 54.32 C ATOM 544 CG LEU A 34 10.389 -7.745 -8.876 1.00 41.14 C ATOM 545 CD1 LEU A 34 8.908 -7.769 -8.531 1.00 3.33 C ATOM 546 CD2 LEU A 34 10.755 -8.940 -9.744 1.00 25.43 C ATOM 0 H LEU A 34 11.098 -4.096 -10.427 1.00 45.42 H new ATOM 0 HA LEU A 34 10.319 -5.220 -7.866 1.00 41.54 H new ATOM 0 HB2 LEU A 34 9.937 -6.168 -10.249 1.00 54.32 H new ATOM 0 HB3 LEU A 34 11.629 -6.620 -10.207 1.00 54.32 H new ATOM 0 HG LEU A 34 10.958 -7.806 -7.948 1.00 41.14 H new ATOM 0 HD11 LEU A 34 8.666 -8.706 -8.029 1.00 3.33 H new ATOM 0 HD12 LEU A 34 8.675 -6.933 -7.871 1.00 3.33 H new ATOM 0 HD13 LEU A 34 8.320 -7.685 -9.445 1.00 3.33 H new ATOM 0 HD21 LEU A 34 10.488 -9.861 -9.226 1.00 25.43 H new ATOM 0 HD22 LEU A 34 10.213 -8.884 -10.688 1.00 25.43 H new ATOM 0 HD23 LEU A 34 11.827 -8.932 -9.940 1.00 25.43 H new ATOM 558 N ASN A 35 13.453 -4.931 -8.789 1.00 44.10 N ATOM 559 CA ASN A 35 14.831 -5.008 -8.317 1.00 30.25 C ATOM 560 C ASN A 35 15.689 -3.925 -8.962 1.00 42.34 C ATOM 561 O ASN A 35 15.475 -3.555 -10.117 1.00 11.44 O ATOM 562 CB ASN A 35 15.419 -6.388 -8.619 1.00 1.03 C ATOM 563 CG ASN A 35 15.520 -7.257 -7.380 1.00 65.11 C ATOM 564 OD1 ASN A 35 15.737 -6.759 -6.275 1.00 32.40 O ATOM 565 ND2 ASN A 35 15.364 -8.564 -7.560 1.00 4.52 N ATOM 0 H ASN A 35 13.346 -4.502 -9.708 1.00 44.10 H new ATOM 0 HA ASN A 35 14.828 -4.849 -7.239 1.00 30.25 H new ATOM 0 HB2 ASN A 35 14.799 -6.890 -9.362 1.00 1.03 H new ATOM 0 HB3 ASN A 35 16.410 -6.270 -9.058 1.00 1.03 H new ATOM 0 HD21 ASN A 35 15.423 -9.199 -6.764 1.00 4.52 H new ATOM 0 HD22 ASN A 35 15.186 -8.932 -8.494 1.00 4.52 H new ATOM 572 N SER A 36 16.662 -3.421 -8.210 1.00 12.35 N ATOM 573 CA SER A 36 17.551 -2.377 -8.707 1.00 32.40 C ATOM 574 C SER A 36 19.001 -2.682 -8.346 1.00 5.04 C ATOM 575 O SER A 36 19.358 -2.762 -7.169 1.00 51.45 O ATOM 576 CB SER A 36 17.146 -1.017 -8.135 1.00 72.43 C ATOM 577 OG SER A 36 16.550 -0.203 -9.130 1.00 40.13 O ATOM 0 H SER A 36 16.855 -3.719 -7.254 1.00 12.35 H new ATOM 0 HA SER A 36 17.464 -2.346 -9.793 1.00 32.40 H new ATOM 0 HB2 SER A 36 16.448 -1.159 -7.310 1.00 72.43 H new ATOM 0 HB3 SER A 36 18.023 -0.515 -7.727 1.00 72.43 H new ATOM 0 HG SER A 36 16.844 0.725 -9.013 1.00 40.13 H new ATOM 583 N THR A 37 19.836 -2.852 -9.367 1.00 10.14 N ATOM 584 CA THR A 37 21.248 -3.149 -9.159 1.00 14.04 C ATOM 585 C THR A 37 22.132 -2.065 -9.763 1.00 44.11 C ATOM 586 O THR A 37 23.205 -1.764 -9.241 1.00 50.33 O ATOM 587 CB THR A 37 21.631 -4.509 -9.771 1.00 24.44 C ATOM 588 OG1 THR A 37 20.568 -5.449 -9.582 1.00 32.35 O ATOM 589 CG2 THR A 37 22.907 -5.046 -9.139 1.00 63.13 C ATOM 0 H THR A 37 19.558 -2.789 -10.346 1.00 10.14 H new ATOM 0 HA THR A 37 21.409 -3.186 -8.082 1.00 14.04 H new ATOM 0 HB THR A 37 21.804 -4.366 -10.838 1.00 24.44 H new ATOM 0 HG1 THR A 37 20.819 -6.311 -9.976 1.00 32.35 H new ATOM 0 HG21 THR A 37 23.158 -6.007 -9.587 1.00 63.13 H new ATOM 0 HG22 THR A 37 23.722 -4.342 -9.310 1.00 63.13 H new ATOM 0 HG23 THR A 37 22.756 -5.173 -8.067 1.00 63.13 H new ATOM 597 N ASN A 38 21.675 -1.481 -10.866 1.00 63.21 N ATOM 598 CA ASN A 38 22.426 -0.429 -11.542 1.00 24.33 C ATOM 599 C ASN A 38 21.626 0.869 -11.586 1.00 34.45 C ATOM 600 O ASN A 38 20.395 0.852 -11.598 1.00 74.22 O ATOM 601 CB ASN A 38 22.790 -0.866 -12.962 1.00 51.45 C ATOM 602 CG ASN A 38 24.034 -1.731 -13.001 1.00 24.32 C ATOM 603 OD1 ASN A 38 24.006 -2.858 -13.497 1.00 55.53 O ATOM 604 ND2 ASN A 38 25.136 -1.208 -12.475 1.00 14.31 N ATOM 0 H ASN A 38 20.788 -1.718 -11.311 1.00 63.21 H new ATOM 0 HA ASN A 38 23.342 -0.251 -10.978 1.00 24.33 H new ATOM 0 HB2 ASN A 38 21.955 -1.416 -13.395 1.00 51.45 H new ATOM 0 HB3 ASN A 38 22.945 0.017 -13.582 1.00 51.45 H new ATOM 0 HD21 ASN A 38 26.004 -1.744 -12.472 1.00 14.31 H new ATOM 0 HD22 ASN A 38 25.114 -0.270 -12.074 1.00 14.31 H new ATOM 611 N LYS A 39 22.333 1.993 -11.609 1.00 50.11 N ATOM 612 CA LYS A 39 21.690 3.301 -11.654 1.00 2.15 C ATOM 613 C LYS A 39 21.344 3.689 -13.088 1.00 31.24 C ATOM 614 O LYS A 39 20.343 4.362 -13.334 1.00 44.51 O ATOM 615 CB LYS A 39 22.602 4.362 -11.033 1.00 64.13 C ATOM 616 CG LYS A 39 22.197 4.765 -9.626 1.00 63.11 C ATOM 617 CD LYS A 39 21.126 5.843 -9.641 1.00 63.22 C ATOM 618 CE LYS A 39 21.056 6.578 -8.311 1.00 64.34 C ATOM 619 NZ LYS A 39 19.682 7.074 -8.024 1.00 3.52 N ATOM 0 H LYS A 39 23.352 2.025 -11.597 1.00 50.11 H new ATOM 0 HA LYS A 39 20.766 3.243 -11.079 1.00 2.15 H new ATOM 0 HB2 LYS A 39 23.624 3.984 -11.013 1.00 64.13 H new ATOM 0 HB3 LYS A 39 22.602 5.247 -11.670 1.00 64.13 H new ATOM 0 HG2 LYS A 39 21.828 3.892 -9.088 1.00 63.11 H new ATOM 0 HG3 LYS A 39 23.071 5.127 -9.084 1.00 63.11 H new ATOM 0 HD2 LYS A 39 21.335 6.554 -10.440 1.00 63.22 H new ATOM 0 HD3 LYS A 39 20.158 5.393 -9.860 1.00 63.22 H new ATOM 0 HE2 LYS A 39 21.376 5.911 -7.510 1.00 64.34 H new ATOM 0 HE3 LYS A 39 21.750 7.418 -8.323 1.00 64.34 H new ATOM 0 HZ1 LYS A 39 19.676 7.569 -7.109 1.00 3.52 H new ATOM 0 HZ2 LYS A 39 19.386 7.730 -8.775 1.00 3.52 H new ATOM 0 HZ3 LYS A 39 19.023 6.270 -7.987 1.00 3.52 H new ATOM 633 N ASP A 40 22.176 3.258 -14.029 1.00 41.12 N ATOM 634 CA ASP A 40 21.956 3.558 -15.439 1.00 42.13 C ATOM 635 C ASP A 40 20.834 2.697 -16.010 1.00 31.53 C ATOM 636 O ASP A 40 20.188 3.070 -16.989 1.00 10.13 O ATOM 637 CB ASP A 40 23.242 3.336 -16.237 1.00 23.54 C ATOM 638 CG ASP A 40 23.894 4.637 -16.660 1.00 55.43 C ATOM 639 OD1 ASP A 40 23.327 5.327 -17.534 1.00 23.31 O ATOM 640 OD2 ASP A 40 24.970 4.967 -16.119 1.00 31.42 O ATOM 0 H ASP A 40 23.009 2.700 -13.841 1.00 41.12 H new ATOM 0 HA ASP A 40 21.663 4.605 -15.520 1.00 42.13 H new ATOM 0 HB2 ASP A 40 23.945 2.760 -15.635 1.00 23.54 H new ATOM 0 HB3 ASP A 40 23.018 2.741 -17.122 1.00 23.54 H new ATOM 645 N TRP A 41 20.609 1.543 -15.392 1.00 32.23 N ATOM 646 CA TRP A 41 19.565 0.627 -15.839 1.00 0.41 C ATOM 647 C TRP A 41 18.483 0.475 -14.776 1.00 33.21 C ATOM 648 O TRP A 41 18.781 0.304 -13.594 1.00 20.31 O ATOM 649 CB TRP A 41 20.165 -0.739 -16.173 1.00 64.10 C ATOM 650 CG TRP A 41 20.608 -0.861 -17.600 1.00 14.21 C ATOM 651 CD1 TRP A 41 21.049 0.146 -18.410 1.00 14.40 C ATOM 652 CD2 TRP A 41 20.649 -2.057 -18.385 1.00 25.30 C ATOM 653 NE1 TRP A 41 21.362 -0.352 -19.652 1.00 21.15 N ATOM 654 CE2 TRP A 41 21.127 -1.701 -19.662 1.00 31.44 C ATOM 655 CE3 TRP A 41 20.332 -3.395 -18.133 1.00 43.24 C ATOM 656 CZ2 TRP A 41 21.292 -2.635 -20.681 1.00 63.21 C ATOM 657 CZ3 TRP A 41 20.497 -4.320 -19.146 1.00 73.34 C ATOM 658 CH2 TRP A 41 20.974 -3.938 -20.407 1.00 51.50 C ATOM 0 H TRP A 41 21.135 1.219 -14.580 1.00 32.23 H new ATOM 0 HA TRP A 41 19.110 1.045 -16.737 1.00 0.41 H new ATOM 0 HB2 TRP A 41 21.017 -0.923 -15.519 1.00 64.10 H new ATOM 0 HB3 TRP A 41 19.427 -1.513 -15.962 1.00 64.10 H new ATOM 0 HD1 TRP A 41 21.139 1.182 -18.118 1.00 14.40 H new ATOM 0 HE1 TRP A 41 21.712 0.195 -20.439 1.00 21.15 H new ATOM 0 HE3 TRP A 41 19.965 -3.700 -17.164 1.00 43.24 H new ATOM 0 HZ2 TRP A 41 21.658 -2.342 -21.654 1.00 63.21 H new ATOM 0 HZ3 TRP A 41 20.254 -5.356 -18.963 1.00 73.34 H new ATOM 0 HH2 TRP A 41 21.093 -4.686 -21.177 1.00 51.50 H new ATOM 669 N TRP A 42 17.227 0.538 -15.203 1.00 70.33 N ATOM 670 CA TRP A 42 16.100 0.406 -14.287 1.00 3.05 C ATOM 671 C TRP A 42 15.183 -0.735 -14.712 1.00 54.21 C ATOM 672 O TRP A 42 14.974 -0.966 -15.903 1.00 63.33 O ATOM 673 CB TRP A 42 15.312 1.715 -14.224 1.00 14.12 C ATOM 674 CG TRP A 42 14.934 2.115 -12.830 1.00 30.24 C ATOM 675 CD1 TRP A 42 13.671 2.298 -12.343 1.00 61.11 C ATOM 676 CD2 TRP A 42 15.827 2.383 -11.743 1.00 63.42 C ATOM 677 NE1 TRP A 42 13.725 2.663 -11.020 1.00 5.44 N ATOM 678 CE2 TRP A 42 15.037 2.722 -10.628 1.00 33.53 C ATOM 679 CE3 TRP A 42 17.218 2.367 -11.603 1.00 54.05 C ATOM 680 CZ2 TRP A 42 15.592 3.043 -9.392 1.00 22.40 C ATOM 681 CZ3 TRP A 42 17.767 2.686 -10.377 1.00 4.25 C ATOM 682 CH2 TRP A 42 16.956 3.020 -9.284 1.00 21.53 C ATOM 0 H TRP A 42 16.963 0.680 -16.178 1.00 70.33 H new ATOM 0 HA TRP A 42 16.494 0.179 -13.296 1.00 3.05 H new ATOM 0 HB2 TRP A 42 15.906 2.510 -14.674 1.00 14.12 H new ATOM 0 HB3 TRP A 42 14.407 1.615 -14.824 1.00 14.12 H new ATOM 0 HD1 TRP A 42 12.763 2.174 -12.914 1.00 61.11 H new ATOM 0 HE1 TRP A 42 12.919 2.858 -10.426 1.00 5.44 H new ATOM 0 HE3 TRP A 42 17.852 2.110 -12.439 1.00 54.05 H new ATOM 0 HZ2 TRP A 42 14.968 3.301 -8.549 1.00 22.40 H new ATOM 0 HZ3 TRP A 42 18.840 2.678 -10.258 1.00 4.25 H new ATOM 0 HH2 TRP A 42 17.416 3.264 -8.338 1.00 21.53 H new ATOM 693 N LYS A 43 14.636 -1.446 -13.732 1.00 14.52 N ATOM 694 CA LYS A 43 13.738 -2.562 -14.004 1.00 63.02 C ATOM 695 C LYS A 43 12.357 -2.308 -13.409 1.00 22.15 C ATOM 696 O LYS A 43 12.226 -2.028 -12.217 1.00 1.11 O ATOM 697 CB LYS A 43 14.319 -3.860 -13.438 1.00 10.32 C ATOM 698 CG LYS A 43 14.164 -5.052 -14.366 1.00 40.34 C ATOM 699 CD LYS A 43 15.421 -5.286 -15.187 1.00 60.22 C ATOM 700 CE LYS A 43 15.592 -6.757 -15.537 1.00 3.53 C ATOM 701 NZ LYS A 43 16.047 -7.556 -14.365 1.00 41.33 N ATOM 0 H LYS A 43 14.799 -1.269 -12.741 1.00 14.52 H new ATOM 0 HA LYS A 43 13.635 -2.658 -15.085 1.00 63.02 H new ATOM 0 HB2 LYS A 43 15.378 -3.712 -13.225 1.00 10.32 H new ATOM 0 HB3 LYS A 43 13.831 -4.083 -12.489 1.00 10.32 H new ATOM 0 HG2 LYS A 43 13.940 -5.943 -13.780 1.00 40.34 H new ATOM 0 HG3 LYS A 43 13.318 -4.887 -15.033 1.00 40.34 H new ATOM 0 HD2 LYS A 43 15.374 -4.696 -16.102 1.00 60.22 H new ATOM 0 HD3 LYS A 43 16.291 -4.940 -14.629 1.00 60.22 H new ATOM 0 HE2 LYS A 43 14.646 -7.156 -15.903 1.00 3.53 H new ATOM 0 HE3 LYS A 43 16.315 -6.856 -16.347 1.00 3.53 H new ATOM 0 HZ1 LYS A 43 16.346 -8.500 -14.683 1.00 41.33 H new ATOM 0 HZ2 LYS A 43 16.848 -7.075 -13.907 1.00 41.33 H new ATOM 0 HZ3 LYS A 43 15.266 -7.651 -13.685 1.00 41.33 H new ATOM 715 N VAL A 44 11.329 -2.409 -14.245 1.00 61.30 N ATOM 716 CA VAL A 44 9.958 -2.193 -13.800 1.00 75.12 C ATOM 717 C VAL A 44 8.995 -3.142 -14.506 1.00 50.40 C ATOM 718 O VAL A 44 9.215 -3.522 -15.656 1.00 15.54 O ATOM 719 CB VAL A 44 9.508 -0.742 -14.052 1.00 51.33 C ATOM 720 CG1 VAL A 44 9.511 -0.432 -15.542 1.00 23.44 C ATOM 721 CG2 VAL A 44 8.131 -0.499 -13.452 1.00 43.01 C ATOM 0 H VAL A 44 11.420 -2.639 -15.235 1.00 61.30 H new ATOM 0 HA VAL A 44 9.938 -2.391 -12.728 1.00 75.12 H new ATOM 0 HB VAL A 44 10.216 -0.071 -13.564 1.00 51.33 H new ATOM 0 HG11 VAL A 44 9.190 0.598 -15.700 1.00 23.44 H new ATOM 0 HG12 VAL A 44 10.518 -0.563 -15.939 1.00 23.44 H new ATOM 0 HG13 VAL A 44 8.827 -1.108 -16.056 1.00 23.44 H new ATOM 0 HG21 VAL A 44 7.829 0.531 -13.640 1.00 43.01 H new ATOM 0 HG22 VAL A 44 7.410 -1.177 -13.909 1.00 43.01 H new ATOM 0 HG23 VAL A 44 8.166 -0.677 -12.377 1.00 43.01 H new ATOM 731 N GLU A 45 7.928 -3.519 -13.809 1.00 73.53 N ATOM 732 CA GLU A 45 6.931 -4.424 -14.370 1.00 63.42 C ATOM 733 C GLU A 45 5.544 -3.789 -14.346 1.00 2.12 C ATOM 734 O GLU A 45 5.114 -3.249 -13.326 1.00 61.24 O ATOM 735 CB GLU A 45 6.914 -5.743 -13.595 1.00 32.34 C ATOM 736 CG GLU A 45 7.912 -6.766 -14.110 1.00 61.04 C ATOM 737 CD GLU A 45 7.482 -7.390 -15.424 1.00 31.54 C ATOM 738 OE1 GLU A 45 6.271 -7.642 -15.593 1.00 33.53 O ATOM 739 OE2 GLU A 45 8.357 -7.627 -16.282 1.00 44.34 O ATOM 0 H GLU A 45 7.732 -3.212 -12.856 1.00 73.53 H new ATOM 0 HA GLU A 45 7.202 -4.624 -15.407 1.00 63.42 H new ATOM 0 HB2 GLU A 45 7.124 -5.540 -12.545 1.00 32.34 H new ATOM 0 HB3 GLU A 45 5.912 -6.170 -13.643 1.00 32.34 H new ATOM 0 HG2 GLU A 45 8.883 -6.288 -14.240 1.00 61.04 H new ATOM 0 HG3 GLU A 45 8.040 -7.550 -13.364 1.00 61.04 H new ATOM 746 N VAL A 46 4.849 -3.857 -15.477 1.00 13.34 N ATOM 747 CA VAL A 46 3.510 -3.289 -15.586 1.00 62.01 C ATOM 748 C VAL A 46 2.524 -4.311 -16.140 1.00 15.31 C ATOM 749 O VAL A 46 2.834 -5.043 -17.078 1.00 62.21 O ATOM 750 CB VAL A 46 3.502 -2.042 -16.489 1.00 52.55 C ATOM 751 CG1 VAL A 46 2.176 -1.306 -16.372 1.00 13.33 C ATOM 752 CG2 VAL A 46 4.663 -1.123 -16.140 1.00 62.40 C ATOM 0 H VAL A 46 5.191 -4.299 -16.330 1.00 13.34 H new ATOM 0 HA VAL A 46 3.204 -3.002 -14.580 1.00 62.01 H new ATOM 0 HB VAL A 46 3.622 -2.364 -17.523 1.00 52.55 H new ATOM 0 HG11 VAL A 46 2.189 -0.428 -17.017 1.00 13.33 H new ATOM 0 HG12 VAL A 46 1.365 -1.967 -16.676 1.00 13.33 H new ATOM 0 HG13 VAL A 46 2.023 -0.995 -15.339 1.00 13.33 H new ATOM 0 HG21 VAL A 46 4.641 -0.247 -16.788 1.00 62.40 H new ATOM 0 HG22 VAL A 46 4.577 -0.807 -15.100 1.00 62.40 H new ATOM 0 HG23 VAL A 46 5.604 -1.655 -16.281 1.00 62.40 H new ATOM 762 N ASN A 47 1.332 -4.353 -15.552 1.00 61.54 N ATOM 763 CA ASN A 47 0.299 -5.286 -15.987 1.00 55.02 C ATOM 764 C ASN A 47 -0.302 -4.849 -17.320 1.00 35.32 C ATOM 765 O ASN A 47 -1.496 -4.561 -17.409 1.00 70.25 O ATOM 766 CB ASN A 47 -0.801 -5.390 -14.929 1.00 34.43 C ATOM 767 CG ASN A 47 -0.371 -6.208 -13.726 1.00 43.21 C ATOM 768 OD1 ASN A 47 -0.465 -5.752 -12.586 1.00 62.52 O ATOM 769 ND2 ASN A 47 0.105 -7.422 -13.976 1.00 63.10 N ATOM 0 H ASN A 47 1.058 -3.753 -14.774 1.00 61.54 H new ATOM 0 HA ASN A 47 0.760 -6.265 -16.120 1.00 55.02 H new ATOM 0 HB2 ASN A 47 -1.083 -4.389 -14.602 1.00 34.43 H new ATOM 0 HB3 ASN A 47 -1.688 -5.842 -15.374 1.00 34.43 H new ATOM 0 HD21 ASN A 47 0.411 -8.018 -13.207 1.00 63.10 H new ATOM 0 HD22 ASN A 47 0.165 -7.758 -14.937 1.00 63.10 H new ATOM 776 N ASP A 48 0.532 -4.804 -18.352 1.00 43.51 N ATOM 777 CA ASP A 48 0.084 -4.404 -19.681 1.00 12.11 C ATOM 778 C ASP A 48 1.246 -4.401 -20.669 1.00 23.12 C ATOM 779 O ASP A 48 1.265 -5.180 -21.622 1.00 45.10 O ATOM 780 CB ASP A 48 -0.561 -3.018 -19.629 1.00 73.14 C ATOM 781 CG ASP A 48 -2.065 -3.073 -19.812 1.00 14.51 C ATOM 782 OD1 ASP A 48 -2.518 -3.597 -20.851 1.00 1.32 O ATOM 783 OD2 ASP A 48 -2.790 -2.590 -18.916 1.00 61.11 O ATOM 0 H ASP A 48 1.523 -5.040 -18.294 1.00 43.51 H new ATOM 0 HA ASP A 48 -0.656 -5.128 -20.021 1.00 12.11 H new ATOM 0 HB2 ASP A 48 -0.331 -2.549 -18.672 1.00 73.14 H new ATOM 0 HB3 ASP A 48 -0.126 -2.389 -20.405 1.00 73.14 H new ATOM 788 N ARG A 49 2.213 -3.520 -20.435 1.00 11.43 N ATOM 789 CA ARG A 49 3.378 -3.414 -21.305 1.00 53.21 C ATOM 790 C ARG A 49 4.666 -3.386 -20.488 1.00 62.12 C ATOM 791 O ARG A 49 4.736 -2.737 -19.445 1.00 23.21 O ATOM 792 CB ARG A 49 3.282 -2.155 -22.170 1.00 22.43 C ATOM 793 CG ARG A 49 3.390 -0.863 -21.378 1.00 1.44 C ATOM 794 CD ARG A 49 2.497 0.222 -21.958 1.00 15.42 C ATOM 795 NE ARG A 49 1.121 0.113 -21.479 1.00 3.24 N ATOM 796 CZ ARG A 49 0.127 0.875 -21.920 1.00 14.01 C ATOM 797 NH1 ARG A 49 0.353 1.796 -22.846 1.00 43.30 N ATOM 798 NH2 ARG A 49 -1.098 0.716 -21.435 1.00 32.31 N ATOM 0 H ARG A 49 2.213 -2.869 -19.650 1.00 11.43 H new ATOM 0 HA ARG A 49 3.398 -4.291 -21.952 1.00 53.21 H new ATOM 0 HB2 ARG A 49 4.072 -2.179 -22.920 1.00 22.43 H new ATOM 0 HB3 ARG A 49 2.333 -2.164 -22.706 1.00 22.43 H new ATOM 0 HG2 ARG A 49 3.113 -1.047 -20.340 1.00 1.44 H new ATOM 0 HG3 ARG A 49 4.425 -0.521 -21.376 1.00 1.44 H new ATOM 0 HD2 ARG A 49 2.897 1.201 -21.693 1.00 15.42 H new ATOM 0 HD3 ARG A 49 2.508 0.157 -23.046 1.00 15.42 H new ATOM 0 HE ARG A 49 0.913 -0.587 -20.767 1.00 3.24 H new ATOM 0 HH11 ARG A 49 1.293 1.921 -23.222 1.00 43.30 H new ATOM 0 HH12 ARG A 49 -0.413 2.380 -23.182 1.00 43.30 H new ATOM 0 HH21 ARG A 49 -1.277 0.008 -20.723 1.00 32.31 H new ATOM 0 HH22 ARG A 49 -1.861 1.302 -21.774 1.00 32.31 H new ATOM 812 N GLN A 50 5.682 -4.095 -20.970 1.00 52.14 N ATOM 813 CA GLN A 50 6.967 -4.152 -20.284 1.00 31.12 C ATOM 814 C GLN A 50 8.088 -3.643 -21.184 1.00 21.21 C ATOM 815 O GLN A 50 7.996 -3.715 -22.409 1.00 14.05 O ATOM 816 CB GLN A 50 7.266 -5.584 -19.836 1.00 5.30 C ATOM 817 CG GLN A 50 7.129 -6.610 -20.949 1.00 25.54 C ATOM 818 CD GLN A 50 7.889 -7.890 -20.659 1.00 2.13 C ATOM 819 OE1 GLN A 50 9.095 -7.867 -20.410 1.00 11.23 O ATOM 820 NE2 GLN A 50 7.186 -9.016 -20.689 1.00 62.13 N ATOM 0 H GLN A 50 5.640 -4.638 -21.833 1.00 52.14 H new ATOM 0 HA GLN A 50 6.911 -3.508 -19.406 1.00 31.12 H new ATOM 0 HB2 GLN A 50 8.279 -5.627 -19.436 1.00 5.30 H new ATOM 0 HB3 GLN A 50 6.591 -5.850 -19.023 1.00 5.30 H new ATOM 0 HG2 GLN A 50 6.074 -6.843 -21.095 1.00 25.54 H new ATOM 0 HG3 GLN A 50 7.493 -6.179 -21.882 1.00 25.54 H new ATOM 0 HE21 GLN A 50 6.188 -8.989 -20.900 1.00 62.13 H new ATOM 0 HE22 GLN A 50 7.644 -9.908 -20.501 1.00 62.13 H new ATOM 829 N GLY A 51 9.148 -3.128 -20.567 1.00 73.05 N ATOM 830 CA GLY A 51 10.271 -2.614 -21.328 1.00 64.05 C ATOM 831 C GLY A 51 11.307 -1.940 -20.450 1.00 72.31 C ATOM 832 O GLY A 51 11.585 -2.400 -19.342 1.00 42.52 O ATOM 0 H GLY A 51 9.248 -3.058 -19.554 1.00 73.05 H new ATOM 0 HA2 GLY A 51 10.740 -3.432 -21.875 1.00 64.05 H new ATOM 0 HA3 GLY A 51 9.908 -1.901 -22.069 1.00 64.05 H new ATOM 836 N PHE A 52 11.881 -0.849 -20.945 1.00 54.34 N ATOM 837 CA PHE A 52 12.894 -0.112 -20.199 1.00 14.21 C ATOM 838 C PHE A 52 12.402 1.291 -19.854 1.00 41.02 C ATOM 839 O PHE A 52 11.725 1.938 -20.654 1.00 23.14 O ATOM 840 CB PHE A 52 14.191 -0.026 -21.006 1.00 54.12 C ATOM 841 CG PHE A 52 15.306 0.668 -20.277 1.00 73.32 C ATOM 842 CD1 PHE A 52 15.429 2.047 -20.324 1.00 31.02 C ATOM 843 CD2 PHE A 52 16.230 -0.059 -19.545 1.00 22.50 C ATOM 844 CE1 PHE A 52 16.455 2.687 -19.655 1.00 14.55 C ATOM 845 CE2 PHE A 52 17.258 0.576 -18.873 1.00 72.42 C ATOM 846 CZ PHE A 52 17.369 1.951 -18.927 1.00 44.14 C ATOM 0 H PHE A 52 11.662 -0.455 -21.860 1.00 54.34 H new ATOM 0 HA PHE A 52 13.088 -0.649 -19.270 1.00 14.21 H new ATOM 0 HB2 PHE A 52 14.512 -1.033 -21.271 1.00 54.12 H new ATOM 0 HB3 PHE A 52 13.994 0.501 -21.939 1.00 54.12 H new ATOM 0 HD1 PHE A 52 14.716 2.628 -20.889 1.00 31.02 H new ATOM 0 HD2 PHE A 52 16.147 -1.135 -19.499 1.00 22.50 H new ATOM 0 HE1 PHE A 52 16.542 3.762 -19.702 1.00 14.55 H new ATOM 0 HE2 PHE A 52 17.973 -0.003 -18.307 1.00 72.42 H new ATOM 0 HZ PHE A 52 18.169 2.450 -18.401 1.00 44.14 H new ATOM 856 N VAL A 53 12.747 1.755 -18.657 1.00 43.13 N ATOM 857 CA VAL A 53 12.342 3.081 -18.206 1.00 25.15 C ATOM 858 C VAL A 53 13.538 3.876 -17.694 1.00 4.11 C ATOM 859 O VAL A 53 14.358 3.382 -16.920 1.00 4.44 O ATOM 860 CB VAL A 53 11.283 2.995 -17.091 1.00 74.23 C ATOM 861 CG1 VAL A 53 11.810 2.191 -15.913 1.00 64.50 C ATOM 862 CG2 VAL A 53 10.860 4.388 -16.650 1.00 32.21 C ATOM 0 H VAL A 53 13.306 1.232 -17.982 1.00 43.13 H new ATOM 0 HA VAL A 53 11.912 3.591 -19.068 1.00 25.15 H new ATOM 0 HB VAL A 53 10.406 2.482 -17.486 1.00 74.23 H new ATOM 0 HG11 VAL A 53 11.047 2.142 -15.136 1.00 64.50 H new ATOM 0 HG12 VAL A 53 12.058 1.182 -16.243 1.00 64.50 H new ATOM 0 HG13 VAL A 53 12.703 2.672 -15.515 1.00 64.50 H new ATOM 0 HG21 VAL A 53 10.111 4.308 -15.862 1.00 32.21 H new ATOM 0 HG22 VAL A 53 11.728 4.929 -16.273 1.00 32.21 H new ATOM 0 HG23 VAL A 53 10.437 4.926 -17.499 1.00 32.21 H new ATOM 872 N PRO A 54 13.642 5.138 -18.135 1.00 41.44 N ATOM 873 CA PRO A 54 14.734 6.030 -17.734 1.00 43.12 C ATOM 874 C PRO A 54 14.635 6.446 -16.271 1.00 12.53 C ATOM 875 O PRO A 54 13.771 7.240 -15.899 1.00 1.32 O ATOM 876 CB PRO A 54 14.555 7.244 -18.649 1.00 1.31 C ATOM 877 CG PRO A 54 13.109 7.239 -19.007 1.00 31.13 C ATOM 878 CD PRO A 54 12.701 5.793 -19.060 1.00 31.41 C ATOM 0 HA PRO A 54 15.708 5.549 -17.827 1.00 43.12 H new ATOM 0 HB2 PRO A 54 14.834 8.167 -18.141 1.00 1.31 H new ATOM 0 HB3 PRO A 54 15.183 7.167 -19.537 1.00 1.31 H new ATOM 0 HG2 PRO A 54 12.522 7.783 -18.267 1.00 31.13 H new ATOM 0 HG3 PRO A 54 12.943 7.727 -19.967 1.00 31.13 H new ATOM 0 HD2 PRO A 54 11.667 5.656 -18.745 1.00 31.41 H new ATOM 0 HD3 PRO A 54 12.783 5.389 -20.069 1.00 31.41 H new ATOM 886 N ALA A 55 15.524 5.906 -15.445 1.00 24.34 N ATOM 887 CA ALA A 55 15.538 6.223 -14.022 1.00 52.51 C ATOM 888 C ALA A 55 15.837 7.701 -13.792 1.00 53.14 C ATOM 889 O ALA A 55 15.354 8.300 -12.832 1.00 31.43 O ATOM 890 CB ALA A 55 16.558 5.358 -13.298 1.00 20.24 C ATOM 0 H ALA A 55 16.245 5.246 -15.737 1.00 24.34 H new ATOM 0 HA ALA A 55 14.548 6.012 -13.619 1.00 52.51 H new ATOM 0 HB1 ALA A 55 16.557 5.606 -12.237 1.00 20.24 H new ATOM 0 HB2 ALA A 55 16.299 4.307 -13.425 1.00 20.24 H new ATOM 0 HB3 ALA A 55 17.549 5.541 -13.712 1.00 20.24 H new ATOM 896 N ALA A 56 16.636 8.283 -14.680 1.00 41.32 N ATOM 897 CA ALA A 56 16.998 9.691 -14.574 1.00 40.35 C ATOM 898 C ALA A 56 15.797 10.589 -14.851 1.00 51.13 C ATOM 899 O ALA A 56 15.768 11.748 -14.438 1.00 11.52 O ATOM 900 CB ALA A 56 18.135 10.017 -15.532 1.00 11.34 C ATOM 0 H ALA A 56 17.045 7.801 -15.481 1.00 41.32 H new ATOM 0 HA ALA A 56 17.332 9.879 -13.554 1.00 40.35 H new ATOM 0 HB1 ALA A 56 18.395 11.072 -15.442 1.00 11.34 H new ATOM 0 HB2 ALA A 56 19.004 9.407 -15.286 1.00 11.34 H new ATOM 0 HB3 ALA A 56 17.821 9.806 -16.554 1.00 11.34 H new ATOM 906 N TYR A 57 14.808 10.047 -15.553 1.00 63.33 N ATOM 907 CA TYR A 57 13.606 10.800 -15.888 1.00 52.21 C ATOM 908 C TYR A 57 12.502 10.548 -14.865 1.00 63.23 C ATOM 909 O TYR A 57 11.323 10.769 -15.140 1.00 13.24 O ATOM 910 CB TYR A 57 13.116 10.424 -17.287 1.00 74.42 C ATOM 911 CG TYR A 57 13.674 11.305 -18.382 1.00 33.30 C ATOM 912 CD1 TYR A 57 13.549 12.687 -18.319 1.00 41.20 C ATOM 913 CD2 TYR A 57 14.324 10.755 -19.479 1.00 45.05 C ATOM 914 CE1 TYR A 57 14.057 13.496 -19.317 1.00 52.31 C ATOM 915 CE2 TYR A 57 14.837 11.556 -20.481 1.00 55.44 C ATOM 916 CZ TYR A 57 14.700 12.926 -20.396 1.00 10.31 C ATOM 917 OH TYR A 57 15.207 13.728 -21.393 1.00 24.14 O ATOM 0 H TYR A 57 14.815 9.088 -15.901 1.00 63.33 H new ATOM 0 HA TYR A 57 13.857 11.861 -15.871 1.00 52.21 H new ATOM 0 HB2 TYR A 57 13.388 9.388 -17.492 1.00 74.42 H new ATOM 0 HB3 TYR A 57 12.028 10.478 -17.308 1.00 74.42 H new ATOM 0 HD1 TYR A 57 13.046 13.137 -17.476 1.00 41.20 H new ATOM 0 HD2 TYR A 57 14.430 9.683 -19.550 1.00 45.05 H new ATOM 0 HE1 TYR A 57 13.951 14.569 -19.253 1.00 52.31 H new ATOM 0 HE2 TYR A 57 15.342 11.112 -21.326 1.00 55.44 H new ATOM 0 HH TYR A 57 15.630 13.170 -22.079 1.00 24.14 H new ATOM 927 N VAL A 58 12.895 10.083 -13.683 1.00 71.15 N ATOM 928 CA VAL A 58 11.941 9.801 -12.617 1.00 50.44 C ATOM 929 C VAL A 58 12.556 10.062 -11.247 1.00 15.51 C ATOM 930 O VAL A 58 13.760 10.290 -11.127 1.00 34.01 O ATOM 931 CB VAL A 58 11.447 8.344 -12.677 1.00 33.20 C ATOM 932 CG1 VAL A 58 10.659 8.099 -13.955 1.00 63.41 C ATOM 933 CG2 VAL A 58 12.618 7.380 -12.570 1.00 25.44 C ATOM 0 H VAL A 58 13.867 9.894 -13.440 1.00 71.15 H new ATOM 0 HA VAL A 58 11.093 10.470 -12.765 1.00 50.44 H new ATOM 0 HB VAL A 58 10.783 8.169 -11.830 1.00 33.20 H new ATOM 0 HG11 VAL A 58 10.318 7.064 -13.980 1.00 63.41 H new ATOM 0 HG12 VAL A 58 9.797 8.766 -13.984 1.00 63.41 H new ATOM 0 HG13 VAL A 58 11.296 8.292 -14.818 1.00 63.41 H new ATOM 0 HG21 VAL A 58 12.250 6.355 -12.614 1.00 25.44 H new ATOM 0 HG22 VAL A 58 13.309 7.554 -13.395 1.00 25.44 H new ATOM 0 HG23 VAL A 58 13.135 7.540 -11.624 1.00 25.44 H new ATOM 943 N LYS A 59 11.721 10.028 -10.214 1.00 34.11 N ATOM 944 CA LYS A 59 12.180 10.259 -8.850 1.00 24.23 C ATOM 945 C LYS A 59 11.373 9.430 -7.856 1.00 21.03 C ATOM 946 O LYS A 59 10.152 9.561 -7.769 1.00 50.23 O ATOM 947 CB LYS A 59 12.072 11.744 -8.498 1.00 4.23 C ATOM 948 CG LYS A 59 13.382 12.500 -8.642 1.00 53.44 C ATOM 949 CD LYS A 59 13.548 13.542 -7.549 1.00 12.12 C ATOM 950 CE LYS A 59 13.154 14.928 -8.035 1.00 44.52 C ATOM 951 NZ LYS A 59 11.680 15.133 -7.994 1.00 10.25 N ATOM 0 H LYS A 59 10.721 9.842 -10.296 1.00 34.11 H new ATOM 0 HA LYS A 59 13.224 9.952 -8.788 1.00 24.23 H new ATOM 0 HB2 LYS A 59 11.322 12.207 -9.140 1.00 4.23 H new ATOM 0 HB3 LYS A 59 11.717 11.841 -7.472 1.00 4.23 H new ATOM 0 HG2 LYS A 59 14.214 11.797 -8.605 1.00 53.44 H new ATOM 0 HG3 LYS A 59 13.417 12.986 -9.617 1.00 53.44 H new ATOM 0 HD2 LYS A 59 12.936 13.269 -6.689 1.00 12.12 H new ATOM 0 HD3 LYS A 59 14.584 13.555 -7.212 1.00 12.12 H new ATOM 0 HE2 LYS A 59 13.643 15.682 -7.417 1.00 44.52 H new ATOM 0 HE3 LYS A 59 13.512 15.070 -9.055 1.00 44.52 H new ATOM 0 HZ1 LYS A 59 11.453 16.090 -8.333 1.00 10.25 H new ATOM 0 HZ2 LYS A 59 11.215 14.430 -8.603 1.00 10.25 H new ATOM 0 HZ3 LYS A 59 11.341 15.023 -7.017 1.00 10.25 H new ATOM 965 N LYS A 60 12.063 8.577 -7.106 1.00 12.13 N ATOM 966 CA LYS A 60 11.411 7.728 -6.115 1.00 41.42 C ATOM 967 C LYS A 60 11.619 8.277 -4.707 1.00 51.33 C ATOM 968 O LYS A 60 12.652 8.879 -4.411 1.00 22.55 O ATOM 969 CB LYS A 60 11.953 6.300 -6.202 1.00 73.21 C ATOM 970 CG LYS A 60 13.456 6.206 -6.007 1.00 1.24 C ATOM 971 CD LYS A 60 13.864 4.848 -5.462 1.00 61.42 C ATOM 972 CE LYS A 60 15.328 4.829 -5.051 1.00 65.33 C ATOM 973 NZ LYS A 60 15.959 3.504 -5.308 1.00 5.42 N ATOM 0 H LYS A 60 13.074 8.455 -7.166 1.00 12.13 H new ATOM 0 HA LYS A 60 10.342 7.718 -6.328 1.00 41.42 H new ATOM 0 HB2 LYS A 60 11.459 5.686 -5.449 1.00 73.21 H new ATOM 0 HB3 LYS A 60 11.695 5.881 -7.175 1.00 73.21 H new ATOM 0 HG2 LYS A 60 13.959 6.383 -6.958 1.00 1.24 H new ATOM 0 HG3 LYS A 60 13.784 6.988 -5.322 1.00 1.24 H new ATOM 0 HD2 LYS A 60 13.241 4.597 -4.604 1.00 61.42 H new ATOM 0 HD3 LYS A 60 13.687 4.083 -6.218 1.00 61.42 H new ATOM 0 HE2 LYS A 60 15.869 5.601 -5.598 1.00 65.33 H new ATOM 0 HE3 LYS A 60 15.411 5.072 -3.992 1.00 65.33 H new ATOM 0 HZ1 LYS A 60 16.956 3.532 -5.015 1.00 5.42 H new ATOM 0 HZ2 LYS A 60 15.459 2.770 -4.766 1.00 5.42 H new ATOM 0 HZ3 LYS A 60 15.903 3.284 -6.323 1.00 5.42 H new ATOM 987 N LEU A 61 10.632 8.066 -3.843 1.00 62.14 N ATOM 988 CA LEU A 61 10.708 8.538 -2.465 1.00 54.32 C ATOM 989 C LEU A 61 10.777 10.061 -2.415 1.00 4.23 C ATOM 990 O LEU A 61 11.344 10.636 -1.485 1.00 11.10 O ATOM 991 CB LEU A 61 11.928 7.937 -1.765 1.00 74.02 C ATOM 992 CG LEU A 61 11.680 7.343 -0.378 1.00 5.20 C ATOM 993 CD1 LEU A 61 12.926 6.633 0.128 1.00 22.41 C ATOM 994 CD2 LEU A 61 11.250 8.429 0.598 1.00 72.42 C ATOM 0 H LEU A 61 9.770 7.571 -4.072 1.00 62.14 H new ATOM 0 HA LEU A 61 9.805 8.216 -1.946 1.00 54.32 H new ATOM 0 HB2 LEU A 61 12.341 7.157 -2.404 1.00 74.02 H new ATOM 0 HB3 LEU A 61 12.689 8.712 -1.676 1.00 74.02 H new ATOM 0 HG LEU A 61 10.875 6.612 -0.455 1.00 5.20 H new ATOM 0 HD11 LEU A 61 12.731 6.216 1.116 1.00 22.41 H new ATOM 0 HD12 LEU A 61 13.191 5.829 -0.559 1.00 22.41 H new ATOM 0 HD13 LEU A 61 13.750 7.344 0.190 1.00 22.41 H new ATOM 0 HD21 LEU A 61 11.078 7.988 1.580 1.00 72.42 H new ATOM 0 HD22 LEU A 61 12.033 9.183 0.671 1.00 72.42 H new ATOM 0 HD23 LEU A 61 10.330 8.894 0.243 1.00 72.42 H new ATOM 1006 N ASP A 62 10.196 10.708 -3.419 1.00 3.43 N ATOM 1007 CA ASP A 62 10.189 12.165 -3.487 1.00 44.13 C ATOM 1008 C ASP A 62 9.322 12.650 -4.645 1.00 1.54 C ATOM 1009 O ASP A 62 9.856 12.956 -5.710 1.00 13.52 O ATOM 1010 CB ASP A 62 11.615 12.696 -3.644 1.00 40.33 C ATOM 1011 CG ASP A 62 11.681 14.209 -3.569 1.00 11.03 C ATOM 1012 OD1 ASP A 62 11.293 14.769 -2.522 1.00 33.43 O ATOM 1013 OD2 ASP A 62 12.121 14.833 -4.556 1.00 44.32 O ATOM 0 H ASP A 62 9.724 10.247 -4.197 1.00 3.43 H new ATOM 0 HA ASP A 62 9.768 12.546 -2.557 1.00 44.13 H new ATOM 0 HB2 ASP A 62 12.247 12.269 -2.865 1.00 40.33 H new ATOM 0 HB3 ASP A 62 12.020 12.365 -4.600 1.00 40.33 H new HETATM 1018 N NH2 A 90 8.019 12.709 -4.414 1.00 73.23 N TER 1019 NH2 A 90