USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 632 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 Set 1.1: A 17 THR OG1 : rot 45:sc= 0.15 USER MOD Set 1.2: A 66 THR OG1 : rot 156:sc= 0.104 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 5 GLN : amide:sc= -0.856 K(o=-0.86,f=-0.0061) USER MOD Single : A 6 THR OG1 : rot -106:sc= 0.292 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 163:sc=-0.00385 (180deg=-0.688) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00765) USER MOD Single : A 26 THR OG1 : rot -108:sc= 1.25 USER MOD Single : A 29 THR OG1 : rot 143:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.232 (180deg=-0.348) USER MOD Single : A 36 SER OG : rot 180:sc= 0.973 USER MOD Single : A 43 TYR OH : rot 26:sc= 0.0926 USER MOD Single : A 44 MET CE :methyl -161:sc= 0 (180deg=-0.274) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.125 K(o=-0.13,f=-2.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl -99:sc= -0.127 (180deg=-0.871) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.615 -1.098 -0.073 1.00 50.03 N ATOM 2 CA MET A 1 0.346 -0.001 -0.049 1.00 55.14 C ATOM 3 C MET A 1 0.666 0.472 -1.464 1.00 11.02 C ATOM 4 O MET A 1 1.615 -0.002 -2.087 1.00 23.54 O ATOM 5 CB MET A 1 1.630 -0.435 0.659 1.00 2.11 C ATOM 6 CG MET A 1 2.491 0.729 1.123 1.00 62.31 C ATOM 7 SD MET A 1 4.019 0.190 1.915 1.00 52.00 S ATOM 8 CE MET A 1 4.995 1.689 1.821 1.00 24.44 C ATOM 0 H1 MET A 1 -0.818 -1.403 0.900 1.00 50.03 H new ATOM 0 H2 MET A 1 -1.495 -0.779 -0.526 1.00 50.03 H new ATOM 0 H3 MET A 1 -0.218 -1.895 -0.610 1.00 50.03 H new ATOM 0 HA MET A 1 -0.100 0.828 0.500 1.00 55.14 H new ATOM 0 HB2 MET A 1 1.370 -1.050 1.520 1.00 2.11 H new ATOM 0 HB3 MET A 1 2.213 -1.062 -0.016 1.00 2.11 H new ATOM 0 HG2 MET A 1 2.733 1.361 0.268 1.00 62.31 H new ATOM 0 HG3 MET A 1 1.921 1.342 1.821 1.00 62.31 H new ATOM 0 HE1 MET A 1 5.972 1.516 2.272 1.00 24.44 H new ATOM 0 HE2 MET A 1 5.122 1.975 0.777 1.00 24.44 H new ATOM 0 HE3 MET A 1 4.485 2.489 2.357 1.00 24.44 H new ATOM 18 N ALA A 2 -0.132 1.409 -1.965 1.00 13.14 N ATOM 19 CA ALA A 2 0.068 1.947 -3.305 1.00 31.14 C ATOM 20 C ALA A 2 0.145 3.470 -3.279 1.00 63.41 C ATOM 21 O ALA A 2 -0.848 4.157 -3.519 1.00 71.23 O ATOM 22 CB ALA A 2 -1.050 1.489 -4.230 1.00 22.44 C ATOM 0 H ALA A 2 -0.923 1.811 -1.463 1.00 13.14 H new ATOM 0 HA ALA A 2 1.017 1.568 -3.684 1.00 31.14 H new ATOM 0 HB1 ALA A 2 -0.888 1.898 -5.227 1.00 22.44 H new ATOM 0 HB2 ALA A 2 -1.057 0.400 -4.281 1.00 22.44 H new ATOM 0 HB3 ALA A 2 -2.007 1.840 -3.845 1.00 22.44 H new ATOM 28 N THR A 3 1.332 3.993 -2.986 1.00 31.43 N ATOM 29 CA THR A 3 1.538 5.434 -2.927 1.00 4.01 C ATOM 30 C THR A 3 1.039 6.113 -4.197 1.00 44.21 C ATOM 31 O THR A 3 0.908 5.477 -5.243 1.00 24.11 O ATOM 32 CB THR A 3 3.025 5.781 -2.723 1.00 63.31 C ATOM 33 OG1 THR A 3 3.849 4.781 -3.332 1.00 64.43 O ATOM 34 CG2 THR A 3 3.358 5.887 -1.243 1.00 23.54 C ATOM 0 H THR A 3 2.165 3.439 -2.786 1.00 31.43 H new ATOM 0 HA THR A 3 0.967 5.800 -2.074 1.00 4.01 H new ATOM 0 HB THR A 3 3.218 6.746 -3.192 1.00 63.31 H new ATOM 0 HG1 THR A 3 4.793 5.010 -3.200 1.00 64.43 H new ATOM 0 HG21 THR A 3 4.413 6.133 -1.124 1.00 23.54 H new ATOM 0 HG22 THR A 3 2.750 6.669 -0.788 1.00 23.54 H new ATOM 0 HG23 THR A 3 3.150 4.935 -0.754 1.00 23.54 H new ATOM 42 N PHE A 4 0.763 7.409 -4.100 1.00 12.41 N ATOM 43 CA PHE A 4 0.278 8.175 -5.242 1.00 54.31 C ATOM 44 C PHE A 4 0.852 9.589 -5.233 1.00 24.32 C ATOM 45 O PHE A 4 0.632 10.353 -4.293 1.00 62.44 O ATOM 46 CB PHE A 4 -1.251 8.234 -5.231 1.00 53.32 C ATOM 47 CG PHE A 4 -1.839 8.782 -6.500 1.00 51.41 C ATOM 48 CD1 PHE A 4 -1.921 10.150 -6.707 1.00 65.13 C ATOM 49 CD2 PHE A 4 -2.311 7.930 -7.485 1.00 64.04 C ATOM 50 CE1 PHE A 4 -2.461 10.658 -7.874 1.00 65.40 C ATOM 51 CE2 PHE A 4 -2.851 8.432 -8.654 1.00 72.22 C ATOM 52 CZ PHE A 4 -2.927 9.797 -8.848 1.00 54.32 C ATOM 0 H PHE A 4 0.867 7.951 -3.242 1.00 12.41 H new ATOM 0 HA PHE A 4 0.610 7.673 -6.151 1.00 54.31 H new ATOM 0 HB2 PHE A 4 -1.644 7.232 -5.061 1.00 53.32 H new ATOM 0 HB3 PHE A 4 -1.577 8.850 -4.393 1.00 53.32 H new ATOM 0 HD1 PHE A 4 -1.559 10.827 -5.948 1.00 65.13 H new ATOM 0 HD2 PHE A 4 -2.256 6.861 -7.338 1.00 64.04 H new ATOM 0 HE1 PHE A 4 -2.518 11.726 -8.024 1.00 65.40 H new ATOM 0 HE2 PHE A 4 -3.213 7.757 -9.415 1.00 72.22 H new ATOM 0 HZ PHE A 4 -3.350 10.191 -9.760 1.00 54.32 H new ATOM 62 N GLN A 5 1.590 9.928 -6.285 1.00 23.00 N ATOM 63 CA GLN A 5 2.198 11.249 -6.397 1.00 71.44 C ATOM 64 C GLN A 5 1.831 11.906 -7.724 1.00 31.41 C ATOM 65 O GLN A 5 1.887 11.273 -8.779 1.00 55.12 O ATOM 66 CB GLN A 5 3.719 11.146 -6.269 1.00 53.10 C ATOM 67 CG GLN A 5 4.446 12.437 -6.610 1.00 24.45 C ATOM 68 CD GLN A 5 5.130 12.382 -7.962 1.00 13.13 C ATOM 69 OE1 GLN A 5 6.237 11.859 -8.090 1.00 2.32 O ATOM 70 NE2 GLN A 5 4.471 12.923 -8.980 1.00 64.02 N ATOM 0 H GLN A 5 1.781 9.307 -7.071 1.00 23.00 H new ATOM 0 HA GLN A 5 1.813 11.868 -5.587 1.00 71.44 H new ATOM 0 HB2 GLN A 5 3.971 10.855 -5.249 1.00 53.10 H new ATOM 0 HB3 GLN A 5 4.078 10.352 -6.924 1.00 53.10 H new ATOM 0 HG2 GLN A 5 3.735 13.263 -6.600 1.00 24.45 H new ATOM 0 HG3 GLN A 5 5.188 12.646 -5.840 1.00 24.45 H new ATOM 0 HE21 GLN A 5 3.555 13.346 -8.828 1.00 64.02 H new ATOM 0 HE22 GLN A 5 4.880 12.916 -9.914 1.00 64.02 H new ATOM 79 N THR A 6 1.455 13.179 -7.664 1.00 12.40 N ATOM 80 CA THR A 6 1.077 13.922 -8.860 1.00 30.22 C ATOM 81 C THR A 6 1.587 15.357 -8.800 1.00 65.11 C ATOM 82 O THR A 6 1.354 16.069 -7.823 1.00 74.04 O ATOM 83 CB THR A 6 -0.451 13.940 -9.050 1.00 55.21 C ATOM 84 OG1 THR A 6 -0.788 14.658 -10.243 1.00 30.32 O ATOM 85 CG2 THR A 6 -1.138 14.583 -7.855 1.00 0.34 C ATOM 0 H THR A 6 1.404 13.718 -6.799 1.00 12.40 H new ATOM 0 HA THR A 6 1.535 13.412 -9.707 1.00 30.22 H new ATOM 0 HB THR A 6 -0.796 12.910 -9.136 1.00 55.21 H new ATOM 0 HG1 THR A 6 -1.166 15.530 -10.004 1.00 30.32 H new ATOM 0 HG21 THR A 6 -2.217 14.584 -8.013 1.00 0.34 H new ATOM 0 HG22 THR A 6 -0.904 14.018 -6.953 1.00 0.34 H new ATOM 0 HG23 THR A 6 -0.787 15.609 -7.742 1.00 0.34 H new ATOM 93 N ASP A 7 2.285 15.776 -9.850 1.00 72.13 N ATOM 94 CA ASP A 7 2.827 17.128 -9.918 1.00 22.10 C ATOM 95 C ASP A 7 1.913 18.040 -10.729 1.00 54.31 C ATOM 96 O ASP A 7 2.380 18.921 -11.451 1.00 74.41 O ATOM 97 CB ASP A 7 4.227 17.109 -10.535 1.00 74.40 C ATOM 98 CG ASP A 7 4.280 16.313 -11.825 1.00 12.15 C ATOM 99 OD1 ASP A 7 3.300 16.370 -12.597 1.00 23.32 O ATOM 100 OD2 ASP A 7 5.301 15.633 -12.061 1.00 15.20 O ATOM 0 H ASP A 7 2.489 15.199 -10.666 1.00 72.13 H new ATOM 0 HA ASP A 7 2.891 17.518 -8.902 1.00 22.10 H new ATOM 0 HB2 ASP A 7 4.549 18.132 -10.729 1.00 74.40 H new ATOM 0 HB3 ASP A 7 4.931 16.683 -9.820 1.00 74.40 H new ATOM 105 N ALA A 8 0.607 17.823 -10.605 1.00 64.34 N ATOM 106 CA ALA A 8 -0.373 18.626 -11.326 1.00 64.21 C ATOM 107 C ALA A 8 -1.780 18.388 -10.788 1.00 64.34 C ATOM 108 O ALA A 8 -2.008 17.463 -10.008 1.00 10.30 O ATOM 109 CB ALA A 8 -0.315 18.318 -12.815 1.00 33.41 C ATOM 0 H ALA A 8 0.204 17.098 -10.012 1.00 64.34 H new ATOM 0 HA ALA A 8 -0.128 19.677 -11.174 1.00 64.21 H new ATOM 0 HB1 ALA A 8 -1.052 18.925 -13.341 1.00 33.41 H new ATOM 0 HB2 ALA A 8 0.681 18.546 -13.195 1.00 33.41 H new ATOM 0 HB3 ALA A 8 -0.532 17.262 -12.977 1.00 33.41 H new ATOM 115 N ASP A 9 -2.719 19.227 -11.210 1.00 2.30 N ATOM 116 CA ASP A 9 -4.104 19.108 -10.771 1.00 33.32 C ATOM 117 C ASP A 9 -4.629 17.695 -11.007 1.00 31.13 C ATOM 118 O ASP A 9 -4.092 16.951 -11.828 1.00 54.10 O ATOM 119 CB ASP A 9 -4.984 20.121 -11.505 1.00 44.11 C ATOM 120 CG ASP A 9 -4.359 21.502 -11.554 1.00 32.35 C ATOM 121 OD1 ASP A 9 -3.536 21.811 -10.667 1.00 51.52 O ATOM 122 OD2 ASP A 9 -4.694 22.273 -12.477 1.00 74.22 O ATOM 0 H ASP A 9 -2.546 19.997 -11.856 1.00 2.30 H new ATOM 0 HA ASP A 9 -4.139 19.316 -9.702 1.00 33.32 H new ATOM 0 HB2 ASP A 9 -5.166 19.771 -12.521 1.00 44.11 H new ATOM 0 HB3 ASP A 9 -5.954 20.181 -11.011 1.00 44.11 H new ATOM 127 N PHE A 10 -5.681 17.331 -10.280 1.00 64.13 N ATOM 128 CA PHE A 10 -6.277 16.006 -10.409 1.00 0.32 C ATOM 129 C PHE A 10 -7.763 16.043 -10.066 1.00 13.54 C ATOM 130 O PHE A 10 -8.240 16.978 -9.421 1.00 12.33 O ATOM 131 CB PHE A 10 -5.557 15.009 -9.499 1.00 23.00 C ATOM 132 CG PHE A 10 -5.447 15.469 -8.073 1.00 41.14 C ATOM 133 CD1 PHE A 10 -6.535 15.389 -7.220 1.00 14.41 C ATOM 134 CD2 PHE A 10 -4.255 15.982 -7.587 1.00 71.11 C ATOM 135 CE1 PHE A 10 -6.438 15.812 -5.907 1.00 64.44 C ATOM 136 CE2 PHE A 10 -4.151 16.405 -6.276 1.00 12.25 C ATOM 137 CZ PHE A 10 -5.244 16.321 -5.435 1.00 50.10 C ATOM 0 H PHE A 10 -6.138 17.934 -9.596 1.00 64.13 H new ATOM 0 HA PHE A 10 -6.169 15.685 -11.445 1.00 0.32 H new ATOM 0 HB2 PHE A 10 -6.087 14.057 -9.525 1.00 23.00 H new ATOM 0 HB3 PHE A 10 -4.557 14.828 -9.892 1.00 23.00 H new ATOM 0 HD1 PHE A 10 -7.471 14.991 -7.585 1.00 14.41 H new ATOM 0 HD2 PHE A 10 -3.398 16.052 -8.240 1.00 71.11 H new ATOM 0 HE1 PHE A 10 -7.294 15.744 -5.252 1.00 64.44 H new ATOM 0 HE2 PHE A 10 -3.216 16.801 -5.909 1.00 12.25 H new ATOM 0 HZ PHE A 10 -5.165 16.653 -4.410 1.00 50.10 H new ATOM 147 N LEU A 11 -8.491 15.021 -10.502 1.00 25.15 N ATOM 148 CA LEU A 11 -9.924 14.935 -10.242 1.00 5.33 C ATOM 149 C LEU A 11 -10.218 13.922 -9.140 1.00 64.02 C ATOM 150 O LEU A 11 -9.441 12.994 -8.912 1.00 61.53 O ATOM 151 CB LEU A 11 -10.671 14.549 -11.519 1.00 32.40 C ATOM 152 CG LEU A 11 -10.790 15.640 -12.584 1.00 24.43 C ATOM 153 CD1 LEU A 11 -10.835 15.026 -13.974 1.00 74.33 C ATOM 154 CD2 LEU A 11 -12.023 16.495 -12.336 1.00 13.33 C ATOM 0 H LEU A 11 -8.112 14.240 -11.038 1.00 25.15 H new ATOM 0 HA LEU A 11 -10.268 15.915 -9.910 1.00 5.33 H new ATOM 0 HB2 LEU A 11 -10.170 13.689 -11.963 1.00 32.40 H new ATOM 0 HB3 LEU A 11 -11.675 14.226 -11.245 1.00 32.40 H new ATOM 0 HG LEU A 11 -9.910 16.280 -12.521 1.00 24.43 H new ATOM 0 HD11 LEU A 11 -10.920 15.817 -14.719 1.00 74.33 H new ATOM 0 HD12 LEU A 11 -9.922 14.458 -14.151 1.00 74.33 H new ATOM 0 HD13 LEU A 11 -11.696 14.362 -14.051 1.00 74.33 H new ATOM 0 HD21 LEU A 11 -12.091 17.266 -13.103 1.00 13.33 H new ATOM 0 HD22 LEU A 11 -12.914 15.868 -12.371 1.00 13.33 H new ATOM 0 HD23 LEU A 11 -11.949 16.965 -11.355 1.00 13.33 H new ATOM 166 N LEU A 12 -11.344 14.105 -8.461 1.00 35.21 N ATOM 167 CA LEU A 12 -11.743 13.205 -7.384 1.00 53.11 C ATOM 168 C LEU A 12 -13.190 12.753 -7.560 1.00 5.13 C ATOM 169 O LEU A 12 -14.089 13.573 -7.745 1.00 71.13 O ATOM 170 CB LEU A 12 -11.573 13.893 -6.029 1.00 11.34 C ATOM 171 CG LEU A 12 -11.684 12.991 -4.799 1.00 52.01 C ATOM 172 CD1 LEU A 12 -10.326 12.409 -4.439 1.00 42.53 C ATOM 173 CD2 LEU A 12 -12.265 13.762 -3.623 1.00 21.14 C ATOM 0 H LEU A 12 -11.997 14.868 -8.637 1.00 35.21 H new ATOM 0 HA LEU A 12 -11.100 12.326 -7.421 1.00 53.11 H new ATOM 0 HB2 LEU A 12 -10.598 14.380 -6.011 1.00 11.34 H new ATOM 0 HB3 LEU A 12 -12.323 14.679 -5.947 1.00 11.34 H new ATOM 0 HG LEU A 12 -12.358 12.167 -5.036 1.00 52.01 H new ATOM 0 HD11 LEU A 12 -10.425 11.770 -3.561 1.00 42.53 H new ATOM 0 HD12 LEU A 12 -9.949 11.821 -5.276 1.00 42.53 H new ATOM 0 HD13 LEU A 12 -9.629 13.219 -4.222 1.00 42.53 H new ATOM 0 HD21 LEU A 12 -12.337 13.104 -2.757 1.00 21.14 H new ATOM 0 HD22 LEU A 12 -11.617 14.606 -3.385 1.00 21.14 H new ATOM 0 HD23 LEU A 12 -13.258 14.129 -3.883 1.00 21.14 H new ATOM 185 N VAL A 13 -13.406 11.443 -7.498 1.00 14.14 N ATOM 186 CA VAL A 13 -14.744 10.882 -7.646 1.00 62.23 C ATOM 187 C VAL A 13 -15.174 10.145 -6.383 1.00 14.42 C ATOM 188 O VAL A 13 -14.483 9.243 -5.911 1.00 54.34 O ATOM 189 CB VAL A 13 -14.816 9.913 -8.842 1.00 12.13 C ATOM 190 CG1 VAL A 13 -16.205 9.302 -8.950 1.00 63.34 C ATOM 191 CG2 VAL A 13 -14.437 10.628 -10.130 1.00 20.12 C ATOM 0 H VAL A 13 -12.672 10.751 -7.346 1.00 14.14 H new ATOM 0 HA VAL A 13 -15.420 11.718 -7.823 1.00 62.23 H new ATOM 0 HB VAL A 13 -14.102 9.106 -8.678 1.00 12.13 H new ATOM 0 HG11 VAL A 13 -16.238 8.620 -9.800 1.00 63.34 H new ATOM 0 HG12 VAL A 13 -16.433 8.754 -8.036 1.00 63.34 H new ATOM 0 HG13 VAL A 13 -16.941 10.094 -9.091 1.00 63.34 H new ATOM 0 HG21 VAL A 13 -14.493 9.929 -10.964 1.00 20.12 H new ATOM 0 HG22 VAL A 13 -15.125 11.455 -10.303 1.00 20.12 H new ATOM 0 HG23 VAL A 13 -13.421 11.013 -10.047 1.00 20.12 H new ATOM 201 N GLY A 14 -16.323 10.537 -5.838 1.00 64.34 N ATOM 202 CA GLY A 14 -16.827 9.903 -4.634 1.00 5.11 C ATOM 203 C GLY A 14 -18.316 10.113 -4.448 1.00 11.41 C ATOM 204 O GLY A 14 -19.098 9.920 -5.379 1.00 33.43 O ATOM 0 H GLY A 14 -16.913 11.282 -6.209 1.00 64.34 H new ATOM 0 HA2 GLY A 14 -16.616 8.834 -4.674 1.00 5.11 H new ATOM 0 HA3 GLY A 14 -16.296 10.300 -3.769 1.00 5.11 H new ATOM 208 N ASP A 15 -18.710 10.509 -3.243 1.00 10.14 N ATOM 209 CA ASP A 15 -20.116 10.745 -2.937 1.00 13.20 C ATOM 210 C ASP A 15 -20.408 12.239 -2.840 1.00 2.53 C ATOM 211 O ASP A 15 -21.400 12.650 -2.238 1.00 11.51 O ATOM 212 CB ASP A 15 -20.499 10.052 -1.629 1.00 33.04 C ATOM 213 CG ASP A 15 -21.993 9.817 -1.513 1.00 65.14 C ATOM 214 OD1 ASP A 15 -22.626 9.511 -2.545 1.00 63.41 O ATOM 215 OD2 ASP A 15 -22.528 9.940 -0.392 1.00 12.12 O ATOM 0 H ASP A 15 -18.075 10.673 -2.462 1.00 10.14 H new ATOM 0 HA ASP A 15 -20.713 10.328 -3.748 1.00 13.20 H new ATOM 0 HB2 ASP A 15 -19.978 9.097 -1.561 1.00 33.04 H new ATOM 0 HB3 ASP A 15 -20.163 10.659 -0.788 1.00 33.04 H new ATOM 220 N ASP A 16 -19.536 13.047 -3.434 1.00 75.24 N ATOM 221 CA ASP A 16 -19.700 14.496 -3.415 1.00 31.21 C ATOM 222 C ASP A 16 -19.910 15.000 -1.990 1.00 60.24 C ATOM 223 O ASP A 16 -20.966 15.541 -1.660 1.00 42.35 O ATOM 224 CB ASP A 16 -20.881 14.909 -4.294 1.00 72.15 C ATOM 225 CG ASP A 16 -20.972 16.412 -4.474 1.00 24.40 C ATOM 226 OD1 ASP A 16 -20.201 17.136 -3.810 1.00 11.34 O ATOM 227 OD2 ASP A 16 -21.812 16.863 -5.279 1.00 72.14 O ATOM 0 H ASP A 16 -18.708 12.723 -3.935 1.00 75.24 H new ATOM 0 HA ASP A 16 -18.789 14.945 -3.810 1.00 31.21 H new ATOM 0 HB2 ASP A 16 -20.787 14.434 -5.271 1.00 72.15 H new ATOM 0 HB3 ASP A 16 -21.806 14.543 -3.850 1.00 72.15 H new ATOM 232 N THR A 17 -18.898 14.817 -1.148 1.00 44.42 N ATOM 233 CA THR A 17 -18.972 15.251 0.241 1.00 5.12 C ATOM 234 C THR A 17 -18.630 16.731 0.374 1.00 23.32 C ATOM 235 O THR A 17 -17.728 17.232 -0.298 1.00 14.23 O ATOM 236 CB THR A 17 -18.021 14.434 1.136 1.00 20.22 C ATOM 237 OG1 THR A 17 -16.874 14.021 0.384 1.00 34.24 O ATOM 238 CG2 THR A 17 -18.728 13.213 1.704 1.00 75.53 C ATOM 0 H THR A 17 -18.017 14.371 -1.404 1.00 44.42 H new ATOM 0 HA THR A 17 -19.999 15.087 0.569 1.00 5.12 H new ATOM 0 HB THR A 17 -17.703 15.068 1.964 1.00 20.22 H new ATOM 0 HG1 THR A 17 -16.541 14.776 -0.145 1.00 34.24 H new ATOM 0 HG21 THR A 17 -18.037 12.652 2.333 1.00 75.53 H new ATOM 0 HG22 THR A 17 -19.583 13.532 2.300 1.00 75.53 H new ATOM 0 HG23 THR A 17 -19.072 12.579 0.887 1.00 75.53 H new ATOM 246 N SER A 18 -19.355 17.425 1.246 1.00 64.23 N ATOM 247 CA SER A 18 -19.130 18.849 1.464 1.00 23.15 C ATOM 248 C SER A 18 -17.766 19.091 2.104 1.00 11.44 C ATOM 249 O SER A 18 -17.255 20.211 2.096 1.00 44.21 O ATOM 250 CB SER A 18 -20.232 19.431 2.351 1.00 75.30 C ATOM 251 OG SER A 18 -20.169 20.846 2.382 1.00 43.05 O ATOM 0 H SER A 18 -20.103 17.024 1.812 1.00 64.23 H new ATOM 0 HA SER A 18 -19.152 19.348 0.495 1.00 23.15 H new ATOM 0 HB2 SER A 18 -21.207 19.116 1.979 1.00 75.30 H new ATOM 0 HB3 SER A 18 -20.134 19.037 3.363 1.00 75.30 H new ATOM 0 HG SER A 18 -20.885 21.193 2.954 1.00 43.05 H new ATOM 257 N ARG A 19 -17.183 18.034 2.659 1.00 71.42 N ATOM 258 CA ARG A 19 -15.880 18.131 3.305 1.00 63.54 C ATOM 259 C ARG A 19 -14.755 17.974 2.285 1.00 21.35 C ATOM 260 O ARG A 19 -13.581 17.897 2.648 1.00 2.33 O ATOM 261 CB ARG A 19 -15.747 17.066 4.395 1.00 65.31 C ATOM 262 CG ARG A 19 -16.880 17.085 5.407 1.00 54.21 C ATOM 263 CD ARG A 19 -17.926 16.027 5.092 1.00 54.30 C ATOM 264 NE ARG A 19 -18.665 15.616 6.283 1.00 23.10 N ATOM 265 CZ ARG A 19 -18.198 14.747 7.173 1.00 12.43 C ATOM 266 NH1 ARG A 19 -17.001 14.202 7.008 1.00 11.11 N ATOM 267 NH2 ARG A 19 -18.930 14.423 8.232 1.00 44.30 N ATOM 0 H ARG A 19 -17.593 17.100 2.674 1.00 71.42 H new ATOM 0 HA ARG A 19 -15.800 19.118 3.760 1.00 63.54 H new ATOM 0 HB2 ARG A 19 -15.706 16.082 3.927 1.00 65.31 H new ATOM 0 HB3 ARG A 19 -14.802 17.210 4.918 1.00 65.31 H new ATOM 0 HG2 ARG A 19 -16.479 16.916 6.407 1.00 54.21 H new ATOM 0 HG3 ARG A 19 -17.347 18.070 5.413 1.00 54.21 H new ATOM 0 HD2 ARG A 19 -18.623 16.416 4.349 1.00 54.30 H new ATOM 0 HD3 ARG A 19 -17.440 15.158 4.649 1.00 54.30 H new ATOM 0 HE ARG A 19 -19.589 16.018 6.440 1.00 23.10 H new ATOM 0 HH11 ARG A 19 -16.436 14.449 6.196 1.00 11.11 H new ATOM 0 HH12 ARG A 19 -16.645 13.535 7.693 1.00 11.11 H new ATOM 0 HH21 ARG A 19 -19.851 14.841 8.363 1.00 44.30 H new ATOM 0 HH22 ARG A 19 -18.571 13.756 8.915 1.00 44.30 H new ATOM 281 N TYR A 20 -15.122 17.926 1.010 1.00 71.12 N ATOM 282 CA TYR A 20 -14.145 17.775 -0.062 1.00 2.23 C ATOM 283 C TYR A 20 -13.090 18.876 0.004 1.00 75.12 C ATOM 284 O TYR A 20 -11.908 18.632 -0.233 1.00 21.34 O ATOM 285 CB TYR A 20 -14.842 17.801 -1.423 1.00 45.22 C ATOM 286 CG TYR A 20 -15.282 19.183 -1.851 1.00 74.34 C ATOM 287 CD1 TYR A 20 -16.329 19.830 -1.206 1.00 42.30 C ATOM 288 CD2 TYR A 20 -14.654 19.840 -2.902 1.00 23.23 C ATOM 289 CE1 TYR A 20 -16.736 21.092 -1.594 1.00 43.21 C ATOM 290 CE2 TYR A 20 -15.053 21.102 -3.296 1.00 1.34 C ATOM 291 CZ TYR A 20 -16.094 21.724 -2.639 1.00 53.20 C ATOM 292 OH TYR A 20 -16.496 22.981 -3.029 1.00 41.23 O ATOM 0 H TYR A 20 -16.089 17.989 0.693 1.00 71.12 H new ATOM 0 HA TYR A 20 -13.649 16.813 0.065 1.00 2.23 H new ATOM 0 HB2 TYR A 20 -14.167 17.394 -2.176 1.00 45.22 H new ATOM 0 HB3 TYR A 20 -15.713 17.146 -1.389 1.00 45.22 H new ATOM 0 HD1 TYR A 20 -16.833 19.338 -0.387 1.00 42.30 H new ATOM 0 HD2 TYR A 20 -13.840 19.355 -3.420 1.00 23.23 H new ATOM 0 HE1 TYR A 20 -17.552 21.581 -1.082 1.00 43.21 H new ATOM 0 HE2 TYR A 20 -14.553 21.599 -4.114 1.00 1.34 H new ATOM 0 HH TYR A 20 -15.941 23.284 -3.777 1.00 41.23 H new ATOM 302 N GLU A 21 -13.529 20.088 0.327 1.00 14.41 N ATOM 303 CA GLU A 21 -12.624 21.227 0.424 1.00 41.22 C ATOM 304 C GLU A 21 -11.740 21.116 1.663 1.00 52.01 C ATOM 305 O GLU A 21 -10.548 21.415 1.616 1.00 44.45 O ATOM 306 CB GLU A 21 -13.417 22.535 0.465 1.00 44.30 C ATOM 307 CG GLU A 21 -14.400 22.615 1.621 1.00 41.04 C ATOM 308 CD GLU A 21 -15.272 23.854 1.560 1.00 73.21 C ATOM 309 OE1 GLU A 21 -14.747 24.932 1.213 1.00 42.33 O ATOM 310 OE2 GLU A 21 -16.480 23.745 1.859 1.00 4.25 O ATOM 0 H GLU A 21 -14.505 20.307 0.526 1.00 14.41 H new ATOM 0 HA GLU A 21 -11.984 21.226 -0.459 1.00 41.22 H new ATOM 0 HB2 GLU A 21 -12.720 23.370 0.533 1.00 44.30 H new ATOM 0 HB3 GLU A 21 -13.961 22.650 -0.472 1.00 44.30 H new ATOM 0 HG2 GLU A 21 -15.034 21.728 1.616 1.00 41.04 H new ATOM 0 HG3 GLU A 21 -13.850 22.608 2.562 1.00 41.04 H new ATOM 317 N GLU A 22 -12.335 20.684 2.770 1.00 34.03 N ATOM 318 CA GLU A 22 -11.603 20.535 4.022 1.00 23.21 C ATOM 319 C GLU A 22 -10.537 19.449 3.903 1.00 44.45 C ATOM 320 O GLU A 22 -9.386 19.648 4.293 1.00 41.05 O ATOM 321 CB GLU A 22 -12.563 20.198 5.164 1.00 35.42 C ATOM 322 CG GLU A 22 -11.877 20.036 6.510 1.00 64.12 C ATOM 323 CD GLU A 22 -12.712 19.249 7.501 1.00 72.24 C ATOM 324 OE1 GLU A 22 -13.954 19.374 7.462 1.00 1.40 O ATOM 325 OE2 GLU A 22 -12.123 18.507 8.314 1.00 34.45 O ATOM 0 H GLU A 22 -13.322 20.431 2.825 1.00 34.03 H new ATOM 0 HA GLU A 22 -11.110 21.483 4.239 1.00 23.21 H new ATOM 0 HB2 GLU A 22 -13.313 20.985 5.241 1.00 35.42 H new ATOM 0 HB3 GLU A 22 -13.092 19.276 4.922 1.00 35.42 H new ATOM 0 HG2 GLU A 22 -10.920 19.534 6.367 1.00 64.12 H new ATOM 0 HG3 GLU A 22 -11.661 21.021 6.924 1.00 64.12 H new ATOM 332 N VAL A 23 -10.928 18.300 3.361 1.00 54.52 N ATOM 333 CA VAL A 23 -10.008 17.183 3.189 1.00 43.12 C ATOM 334 C VAL A 23 -8.811 17.584 2.333 1.00 31.33 C ATOM 335 O VAL A 23 -7.671 17.236 2.641 1.00 13.41 O ATOM 336 CB VAL A 23 -10.707 15.974 2.540 1.00 53.23 C ATOM 337 CG1 VAL A 23 -9.735 14.815 2.384 1.00 33.43 C ATOM 338 CG2 VAL A 23 -11.920 15.558 3.358 1.00 0.14 C ATOM 0 H VAL A 23 -11.877 18.119 3.033 1.00 54.52 H new ATOM 0 HA VAL A 23 -9.662 16.902 4.184 1.00 43.12 H new ATOM 0 HB VAL A 23 -11.050 16.265 1.547 1.00 53.23 H new ATOM 0 HG11 VAL A 23 -10.247 13.970 1.924 1.00 33.43 H new ATOM 0 HG12 VAL A 23 -8.901 15.122 1.752 1.00 33.43 H new ATOM 0 HG13 VAL A 23 -9.359 14.521 3.364 1.00 33.43 H new ATOM 0 HG21 VAL A 23 -12.402 14.702 2.885 1.00 0.14 H new ATOM 0 HG22 VAL A 23 -11.604 15.285 4.365 1.00 0.14 H new ATOM 0 HG23 VAL A 23 -12.625 16.388 3.411 1.00 0.14 H new ATOM 348 N MET A 24 -9.079 18.317 1.258 1.00 43.12 N ATOM 349 CA MET A 24 -8.023 18.767 0.358 1.00 61.21 C ATOM 350 C MET A 24 -7.203 19.883 0.997 1.00 40.11 C ATOM 351 O MET A 24 -5.985 19.946 0.830 1.00 42.51 O ATOM 352 CB MET A 24 -8.622 19.251 -0.964 1.00 61.41 C ATOM 353 CG MET A 24 -8.744 18.157 -2.013 1.00 23.25 C ATOM 354 SD MET A 24 -7.141 17.586 -2.610 1.00 73.12 S ATOM 355 CE MET A 24 -7.190 15.864 -2.119 1.00 12.33 C ATOM 0 H MET A 24 -10.017 18.612 0.989 1.00 43.12 H new ATOM 0 HA MET A 24 -7.363 17.922 0.162 1.00 61.21 H new ATOM 0 HB2 MET A 24 -9.609 19.672 -0.774 1.00 61.41 H new ATOM 0 HB3 MET A 24 -8.003 20.056 -1.361 1.00 61.41 H new ATOM 0 HG2 MET A 24 -9.292 17.314 -1.591 1.00 23.25 H new ATOM 0 HG3 MET A 24 -9.329 18.529 -2.854 1.00 23.25 H new ATOM 0 HE1 MET A 24 -6.429 15.308 -2.667 1.00 12.33 H new ATOM 0 HE2 MET A 24 -6.998 15.785 -1.049 1.00 12.33 H new ATOM 0 HE3 MET A 24 -8.173 15.450 -2.342 1.00 12.33 H new ATOM 365 N LYS A 25 -7.878 20.763 1.729 1.00 74.51 N ATOM 366 CA LYS A 25 -7.213 21.876 2.394 1.00 11.52 C ATOM 367 C LYS A 25 -6.074 21.380 3.278 1.00 3.05 C ATOM 368 O LYS A 25 -5.093 22.090 3.503 1.00 0.32 O ATOM 369 CB LYS A 25 -8.217 22.669 3.235 1.00 71.43 C ATOM 370 CG LYS A 25 -8.521 24.049 2.678 1.00 20.23 C ATOM 371 CD LYS A 25 -9.172 23.967 1.308 1.00 65.34 C ATOM 372 CE LYS A 25 -9.108 25.301 0.580 1.00 74.11 C ATOM 373 NZ LYS A 25 -7.760 25.553 0.000 1.00 53.03 N ATOM 0 H LYS A 25 -8.887 20.726 1.876 1.00 74.51 H new ATOM 0 HA LYS A 25 -6.796 22.528 1.626 1.00 11.52 H new ATOM 0 HB2 LYS A 25 -9.146 22.103 3.307 1.00 71.43 H new ATOM 0 HB3 LYS A 25 -7.828 22.773 4.248 1.00 71.43 H new ATOM 0 HG2 LYS A 25 -9.180 24.582 3.364 1.00 20.23 H new ATOM 0 HG3 LYS A 25 -7.599 24.626 2.609 1.00 20.23 H new ATOM 0 HD2 LYS A 25 -8.674 23.202 0.712 1.00 65.34 H new ATOM 0 HD3 LYS A 25 -10.212 23.660 1.416 1.00 65.34 H new ATOM 0 HE2 LYS A 25 -9.854 25.317 -0.215 1.00 74.11 H new ATOM 0 HE3 LYS A 25 -9.362 26.104 1.272 1.00 74.11 H new ATOM 0 HZ1 LYS A 25 -7.781 26.430 -0.559 1.00 53.03 H new ATOM 0 HZ2 LYS A 25 -7.064 25.647 0.767 1.00 53.03 H new ATOM 0 HZ3 LYS A 25 -7.492 24.758 -0.614 1.00 53.03 H new ATOM 387 N THR A 26 -6.208 20.155 3.777 1.00 12.15 N ATOM 388 CA THR A 26 -5.190 19.564 4.637 1.00 73.35 C ATOM 389 C THR A 26 -3.841 19.504 3.930 1.00 50.24 C ATOM 390 O THR A 26 -2.795 19.419 4.573 1.00 21.02 O ATOM 391 CB THR A 26 -5.587 18.143 5.082 1.00 42.42 C ATOM 392 OG1 THR A 26 -5.455 17.232 3.986 1.00 71.45 O ATOM 393 CG2 THR A 26 -7.017 18.118 5.600 1.00 41.22 C ATOM 0 H THR A 26 -7.012 19.553 3.600 1.00 12.15 H new ATOM 0 HA THR A 26 -5.109 20.203 5.516 1.00 73.35 H new ATOM 0 HB THR A 26 -4.920 17.839 5.889 1.00 42.42 H new ATOM 0 HG1 THR A 26 -6.345 16.963 3.675 1.00 71.45 H new ATOM 0 HG21 THR A 26 -7.275 17.105 5.908 1.00 41.22 H new ATOM 0 HG22 THR A 26 -7.107 18.791 6.453 1.00 41.22 H new ATOM 0 HG23 THR A 26 -7.696 18.441 4.810 1.00 41.22 H new ATOM 401 N PHE A 27 -3.871 19.550 2.602 1.00 54.22 N ATOM 402 CA PHE A 27 -2.650 19.501 1.807 1.00 42.20 C ATOM 403 C PHE A 27 -2.293 20.885 1.273 1.00 45.20 C ATOM 404 O PHE A 27 -3.014 21.450 0.450 1.00 4.13 O ATOM 405 CB PHE A 27 -2.812 18.520 0.644 1.00 24.34 C ATOM 406 CG PHE A 27 -2.068 17.230 0.841 1.00 31.42 C ATOM 407 CD1 PHE A 27 -2.675 16.153 1.467 1.00 14.14 C ATOM 408 CD2 PHE A 27 -0.762 17.094 0.400 1.00 25.53 C ATOM 409 CE1 PHE A 27 -1.994 14.964 1.650 1.00 51.42 C ATOM 410 CE2 PHE A 27 -0.075 15.907 0.579 1.00 15.25 C ATOM 411 CZ PHE A 27 -0.692 14.842 1.206 1.00 30.30 C ATOM 0 H PHE A 27 -4.728 19.621 2.054 1.00 54.22 H new ATOM 0 HA PHE A 27 -1.840 19.159 2.452 1.00 42.20 H new ATOM 0 HB2 PHE A 27 -3.871 18.302 0.507 1.00 24.34 H new ATOM 0 HB3 PHE A 27 -2.463 18.995 -0.273 1.00 24.34 H new ATOM 0 HD1 PHE A 27 -3.693 16.244 1.816 1.00 14.14 H new ATOM 0 HD2 PHE A 27 -0.275 17.924 -0.089 1.00 25.53 H new ATOM 0 HE1 PHE A 27 -2.479 14.132 2.139 1.00 51.42 H new ATOM 0 HE2 PHE A 27 0.942 15.813 0.229 1.00 15.25 H new ATOM 0 HZ PHE A 27 -0.157 13.915 1.349 1.00 30.30 H new ATOM 421 N ASP A 28 -1.175 21.425 1.747 1.00 15.44 N ATOM 422 CA ASP A 28 -0.721 22.743 1.318 1.00 31.12 C ATOM 423 C ASP A 28 -0.623 22.815 -0.202 1.00 50.25 C ATOM 424 O ASP A 28 -0.761 23.886 -0.795 1.00 3.24 O ATOM 425 CB ASP A 28 0.636 23.067 1.945 1.00 12.21 C ATOM 426 CG ASP A 28 1.716 22.089 1.527 1.00 74.15 C ATOM 427 OD1 ASP A 28 2.337 22.310 0.467 1.00 45.13 O ATOM 428 OD2 ASP A 28 1.938 21.101 2.258 1.00 3.54 O ATOM 0 H ASP A 28 -0.567 20.970 2.428 1.00 15.44 H new ATOM 0 HA ASP A 28 -1.452 23.479 1.652 1.00 31.12 H new ATOM 0 HB2 ASP A 28 0.933 24.076 1.659 1.00 12.21 H new ATOM 0 HB3 ASP A 28 0.542 23.058 3.031 1.00 12.21 H new ATOM 433 N THR A 29 -0.383 21.668 -0.830 1.00 41.13 N ATOM 434 CA THR A 29 -0.264 21.601 -2.281 1.00 40.32 C ATOM 435 C THR A 29 -1.539 22.088 -2.960 1.00 60.04 C ATOM 436 O THR A 29 -1.499 22.619 -4.070 1.00 53.23 O ATOM 437 CB THR A 29 0.041 20.168 -2.754 1.00 61.45 C ATOM 438 OG1 THR A 29 -0.783 19.233 -2.049 1.00 53.02 O ATOM 439 CG2 THR A 29 1.507 19.825 -2.534 1.00 51.43 C ATOM 0 H THR A 29 -0.267 20.772 -0.356 1.00 41.13 H new ATOM 0 HA THR A 29 0.565 22.252 -2.561 1.00 40.32 H new ATOM 0 HB THR A 29 -0.174 20.109 -3.821 1.00 61.45 H new ATOM 0 HG1 THR A 29 -1.052 18.512 -2.656 1.00 53.02 H new ATOM 0 HG21 THR A 29 1.698 18.808 -2.876 1.00 51.43 H new ATOM 0 HG22 THR A 29 2.131 20.520 -3.096 1.00 51.43 H new ATOM 0 HG23 THR A 29 1.743 19.901 -1.473 1.00 51.43 H new ATOM 447 N VAL A 30 -2.670 21.904 -2.287 1.00 31.01 N ATOM 448 CA VAL A 30 -3.958 22.326 -2.825 1.00 43.30 C ATOM 449 C VAL A 30 -4.083 23.846 -2.822 1.00 62.43 C ATOM 450 O VAL A 30 -3.947 24.487 -1.781 1.00 14.00 O ATOM 451 CB VAL A 30 -5.126 21.724 -2.022 1.00 52.50 C ATOM 452 CG1 VAL A 30 -6.459 22.206 -2.575 1.00 44.43 C ATOM 453 CG2 VAL A 30 -5.053 20.205 -2.033 1.00 51.03 C ATOM 0 H VAL A 30 -2.721 21.465 -1.368 1.00 31.01 H new ATOM 0 HA VAL A 30 -4.007 21.962 -3.851 1.00 43.30 H new ATOM 0 HB VAL A 30 -5.045 22.061 -0.989 1.00 52.50 H new ATOM 0 HG11 VAL A 30 -7.272 21.770 -1.995 1.00 44.43 H new ATOM 0 HG12 VAL A 30 -6.508 23.293 -2.510 1.00 44.43 H new ATOM 0 HG13 VAL A 30 -6.552 21.901 -3.617 1.00 44.43 H new ATOM 0 HG21 VAL A 30 -5.886 19.797 -1.461 1.00 51.03 H new ATOM 0 HG22 VAL A 30 -5.108 19.846 -3.061 1.00 51.03 H new ATOM 0 HG23 VAL A 30 -4.113 19.883 -1.585 1.00 51.03 H new ATOM 463 N GLU A 31 -4.343 24.415 -3.995 1.00 64.33 N ATOM 464 CA GLU A 31 -4.486 25.860 -4.127 1.00 63.25 C ATOM 465 C GLU A 31 -5.957 26.256 -4.209 1.00 72.42 C ATOM 466 O GLU A 31 -6.379 27.245 -3.611 1.00 30.32 O ATOM 467 CB GLU A 31 -3.743 26.357 -5.369 1.00 61.24 C ATOM 468 CG GLU A 31 -3.914 27.845 -5.626 1.00 61.53 C ATOM 469 CD GLU A 31 -4.706 28.132 -6.887 1.00 71.51 C ATOM 470 OE1 GLU A 31 -4.497 27.423 -7.894 1.00 13.21 O ATOM 471 OE2 GLU A 31 -5.536 29.065 -6.866 1.00 45.11 O ATOM 0 H GLU A 31 -4.459 23.898 -4.867 1.00 64.33 H new ATOM 0 HA GLU A 31 -4.051 26.325 -3.242 1.00 63.25 H new ATOM 0 HB2 GLU A 31 -2.681 26.135 -5.260 1.00 61.24 H new ATOM 0 HB3 GLU A 31 -4.096 25.804 -6.239 1.00 61.24 H new ATOM 0 HG2 GLU A 31 -4.417 28.302 -4.774 1.00 61.53 H new ATOM 0 HG3 GLU A 31 -2.932 28.312 -5.704 1.00 61.53 H new ATOM 478 N ALA A 32 -6.733 25.476 -4.955 1.00 70.21 N ATOM 479 CA ALA A 32 -8.157 25.743 -5.115 1.00 10.24 C ATOM 480 C ALA A 32 -8.892 24.512 -5.634 1.00 1.11 C ATOM 481 O ALA A 32 -8.273 23.570 -6.129 1.00 50.01 O ATOM 482 CB ALA A 32 -8.371 26.922 -6.052 1.00 42.40 C ATOM 0 H ALA A 32 -6.399 24.654 -5.458 1.00 70.21 H new ATOM 0 HA ALA A 32 -8.567 25.992 -4.136 1.00 10.24 H new ATOM 0 HB1 ALA A 32 -9.439 27.110 -6.162 1.00 42.40 H new ATOM 0 HB2 ALA A 32 -7.887 27.807 -5.639 1.00 42.40 H new ATOM 0 HB3 ALA A 32 -7.940 26.695 -7.027 1.00 42.40 H new ATOM 488 N VAL A 33 -10.216 24.526 -5.517 1.00 60.21 N ATOM 489 CA VAL A 33 -11.035 23.410 -5.975 1.00 55.32 C ATOM 490 C VAL A 33 -12.207 23.899 -6.819 1.00 41.45 C ATOM 491 O VAL A 33 -12.700 25.012 -6.630 1.00 62.45 O ATOM 492 CB VAL A 33 -11.578 22.589 -4.791 1.00 32.13 C ATOM 493 CG1 VAL A 33 -12.249 21.317 -5.286 1.00 21.43 C ATOM 494 CG2 VAL A 33 -10.461 22.266 -3.811 1.00 23.34 C ATOM 0 H VAL A 33 -10.744 25.297 -5.109 1.00 60.21 H new ATOM 0 HA VAL A 33 -10.392 22.775 -6.584 1.00 55.32 H new ATOM 0 HB VAL A 33 -12.326 23.186 -4.270 1.00 32.13 H new ATOM 0 HG11 VAL A 33 -12.626 20.750 -4.435 1.00 21.43 H new ATOM 0 HG12 VAL A 33 -13.077 21.576 -5.946 1.00 21.43 H new ATOM 0 HG13 VAL A 33 -11.525 20.713 -5.832 1.00 21.43 H new ATOM 0 HG21 VAL A 33 -10.862 21.685 -2.980 1.00 23.34 H new ATOM 0 HG22 VAL A 33 -9.688 21.688 -4.318 1.00 23.34 H new ATOM 0 HG23 VAL A 33 -10.031 23.193 -3.431 1.00 23.34 H new ATOM 504 N ARG A 34 -12.648 23.061 -7.751 1.00 75.22 N ATOM 505 CA ARG A 34 -13.762 23.408 -8.626 1.00 32.14 C ATOM 506 C ARG A 34 -14.636 22.188 -8.904 1.00 2.24 C ATOM 507 O ARG A 34 -14.132 21.100 -9.183 1.00 44.35 O ATOM 508 CB ARG A 34 -13.243 23.988 -9.943 1.00 21.53 C ATOM 509 CG ARG A 34 -13.083 25.499 -9.922 1.00 75.11 C ATOM 510 CD ARG A 34 -14.432 26.201 -9.878 1.00 62.23 C ATOM 511 NE ARG A 34 -15.000 26.379 -11.212 1.00 21.51 N ATOM 512 CZ ARG A 34 -14.572 27.291 -12.077 1.00 54.22 C ATOM 513 NH1 ARG A 34 -13.577 28.104 -11.751 1.00 13.33 N ATOM 514 NH2 ARG A 34 -15.140 27.392 -13.272 1.00 73.42 N ATOM 0 H ARG A 34 -12.251 22.137 -7.920 1.00 75.22 H new ATOM 0 HA ARG A 34 -14.368 24.160 -8.120 1.00 32.14 H new ATOM 0 HB2 ARG A 34 -12.281 23.532 -10.177 1.00 21.53 H new ATOM 0 HB3 ARG A 34 -13.928 23.715 -10.746 1.00 21.53 H new ATOM 0 HG2 ARG A 34 -12.491 25.791 -9.055 1.00 75.11 H new ATOM 0 HG3 ARG A 34 -12.533 25.820 -10.807 1.00 75.11 H new ATOM 0 HD2 ARG A 34 -15.122 25.622 -9.264 1.00 62.23 H new ATOM 0 HD3 ARG A 34 -14.319 27.174 -9.399 1.00 62.23 H new ATOM 0 HE ARG A 34 -15.767 25.769 -11.494 1.00 21.51 H new ATOM 0 HH11 ARG A 34 -13.138 28.030 -10.833 1.00 13.33 H new ATOM 0 HH12 ARG A 34 -13.251 28.803 -12.418 1.00 13.33 H new ATOM 0 HH21 ARG A 34 -15.906 26.769 -13.527 1.00 73.42 H new ATOM 0 HH22 ARG A 34 -14.810 28.093 -13.936 1.00 73.42 H new ATOM 528 N LYS A 35 -15.949 22.377 -8.824 1.00 64.31 N ATOM 529 CA LYS A 35 -16.894 21.293 -9.068 1.00 2.45 C ATOM 530 C LYS A 35 -17.117 21.092 -10.563 1.00 23.41 C ATOM 531 O LYS A 35 -16.866 21.992 -11.364 1.00 74.45 O ATOM 532 CB LYS A 35 -18.228 21.588 -8.377 1.00 44.05 C ATOM 533 CG LYS A 35 -19.059 22.644 -9.086 1.00 22.41 C ATOM 534 CD LYS A 35 -20.241 22.026 -9.815 1.00 5.32 C ATOM 535 CE LYS A 35 -21.275 21.483 -8.840 1.00 44.44 C ATOM 536 NZ LYS A 35 -21.708 20.105 -9.202 1.00 3.31 N ATOM 0 H LYS A 35 -16.383 23.271 -8.592 1.00 64.31 H new ATOM 0 HA LYS A 35 -16.473 20.376 -8.655 1.00 2.45 H new ATOM 0 HB2 LYS A 35 -18.806 20.666 -8.312 1.00 44.05 H new ATOM 0 HB3 LYS A 35 -18.034 21.915 -7.356 1.00 44.05 H new ATOM 0 HG2 LYS A 35 -19.419 23.373 -8.360 1.00 22.41 H new ATOM 0 HG3 LYS A 35 -18.434 23.184 -9.797 1.00 22.41 H new ATOM 0 HD2 LYS A 35 -20.704 22.774 -10.459 1.00 5.32 H new ATOM 0 HD3 LYS A 35 -19.891 21.221 -10.461 1.00 5.32 H new ATOM 0 HE2 LYS A 35 -20.858 21.480 -7.833 1.00 44.44 H new ATOM 0 HE3 LYS A 35 -22.142 22.144 -8.824 1.00 44.44 H new ATOM 0 HZ1 LYS A 35 -22.037 19.609 -8.349 1.00 3.31 H new ATOM 0 HZ2 LYS A 35 -22.483 20.155 -9.894 1.00 3.31 H new ATOM 0 HZ3 LYS A 35 -20.907 19.587 -9.617 1.00 3.31 H new ATOM 550 N SER A 36 -17.590 19.905 -10.931 1.00 42.34 N ATOM 551 CA SER A 36 -17.844 19.585 -12.331 1.00 53.00 C ATOM 552 C SER A 36 -19.322 19.758 -12.668 1.00 33.22 C ATOM 553 O SER A 36 -20.162 18.960 -12.252 1.00 75.43 O ATOM 554 CB SER A 36 -17.404 18.152 -12.636 1.00 72.04 C ATOM 555 OG SER A 36 -18.106 17.629 -13.751 1.00 50.51 O ATOM 0 H SER A 36 -17.805 19.150 -10.280 1.00 42.34 H new ATOM 0 HA SER A 36 -17.266 20.274 -12.947 1.00 53.00 H new ATOM 0 HB2 SER A 36 -16.332 18.132 -12.835 1.00 72.04 H new ATOM 0 HB3 SER A 36 -17.578 17.521 -11.764 1.00 72.04 H new ATOM 0 HG SER A 36 -17.806 16.713 -13.926 1.00 50.51 H new ATOM 561 N ASP A 37 -19.632 20.806 -13.423 1.00 64.22 N ATOM 562 CA ASP A 37 -21.008 21.084 -13.818 1.00 4.52 C ATOM 563 C ASP A 37 -21.622 19.884 -14.532 1.00 1.34 C ATOM 564 O ASP A 37 -22.837 19.683 -14.497 1.00 64.13 O ATOM 565 CB ASP A 37 -21.062 22.315 -14.724 1.00 45.22 C ATOM 566 CG ASP A 37 -21.211 23.605 -13.941 1.00 62.22 C ATOM 567 OD1 ASP A 37 -22.152 23.698 -13.125 1.00 42.42 O ATOM 568 OD2 ASP A 37 -20.386 24.520 -14.144 1.00 11.22 O ATOM 0 H ASP A 37 -18.949 21.477 -13.774 1.00 64.22 H new ATOM 0 HA ASP A 37 -21.586 21.281 -12.915 1.00 4.52 H new ATOM 0 HB2 ASP A 37 -20.153 22.361 -15.324 1.00 45.22 H new ATOM 0 HB3 ASP A 37 -21.897 22.216 -15.417 1.00 45.22 H new ATOM 573 N LEU A 38 -20.776 19.091 -15.179 1.00 23.34 N ATOM 574 CA LEU A 38 -21.235 17.910 -15.902 1.00 50.22 C ATOM 575 C LEU A 38 -21.507 16.755 -14.943 1.00 42.45 C ATOM 576 O LEU A 38 -22.458 15.995 -15.126 1.00 25.32 O ATOM 577 CB LEU A 38 -20.196 17.490 -16.944 1.00 34.14 C ATOM 578 CG LEU A 38 -19.929 18.492 -18.067 1.00 72.34 C ATOM 579 CD1 LEU A 38 -18.601 18.192 -18.745 1.00 74.34 C ATOM 580 CD2 LEU A 38 -21.064 18.472 -19.081 1.00 32.42 C ATOM 0 H LEU A 38 -19.768 19.244 -15.218 1.00 23.34 H new ATOM 0 HA LEU A 38 -22.166 18.164 -16.408 1.00 50.22 H new ATOM 0 HB2 LEU A 38 -19.255 17.291 -16.430 1.00 34.14 H new ATOM 0 HB3 LEU A 38 -20.519 16.550 -17.392 1.00 34.14 H new ATOM 0 HG LEU A 38 -19.875 19.490 -17.632 1.00 72.34 H new ATOM 0 HD11 LEU A 38 -18.428 18.915 -19.542 1.00 74.34 H new ATOM 0 HD12 LEU A 38 -17.796 18.258 -18.013 1.00 74.34 H new ATOM 0 HD13 LEU A 38 -18.627 17.187 -19.167 1.00 74.34 H new ATOM 0 HD21 LEU A 38 -20.857 19.191 -19.873 1.00 32.42 H new ATOM 0 HD22 LEU A 38 -21.150 17.474 -19.511 1.00 32.42 H new ATOM 0 HD23 LEU A 38 -21.999 18.736 -18.586 1.00 32.42 H new ATOM 592 N ASP A 39 -20.667 16.632 -13.921 1.00 74.13 N ATOM 593 CA ASP A 39 -20.819 15.572 -12.931 1.00 63.13 C ATOM 594 C ASP A 39 -20.729 16.134 -11.516 1.00 34.42 C ATOM 595 O ASP A 39 -19.691 16.654 -11.108 1.00 64.41 O ATOM 596 CB ASP A 39 -19.749 14.498 -13.136 1.00 34.35 C ATOM 597 CG ASP A 39 -19.830 13.854 -14.506 1.00 23.23 C ATOM 598 OD1 ASP A 39 -20.952 13.736 -15.041 1.00 61.23 O ATOM 599 OD2 ASP A 39 -18.770 13.469 -15.043 1.00 34.11 O ATOM 0 H ASP A 39 -19.874 17.253 -13.757 1.00 74.13 H new ATOM 0 HA ASP A 39 -21.804 15.123 -13.062 1.00 63.13 H new ATOM 0 HB2 ASP A 39 -18.762 14.942 -13.004 1.00 34.35 H new ATOM 0 HB3 ASP A 39 -19.858 13.730 -12.370 1.00 34.35 H new ATOM 604 N ASP A 40 -21.825 16.026 -10.772 1.00 42.00 N ATOM 605 CA ASP A 40 -21.870 16.523 -9.402 1.00 15.22 C ATOM 606 C ASP A 40 -20.965 15.698 -8.494 1.00 24.53 C ATOM 607 O ASP A 40 -20.533 16.165 -7.440 1.00 14.14 O ATOM 608 CB ASP A 40 -23.306 16.494 -8.874 1.00 3.42 C ATOM 609 CG ASP A 40 -24.137 17.650 -9.394 1.00 52.31 C ATOM 610 OD1 ASP A 40 -23.742 18.254 -10.413 1.00 25.00 O ATOM 611 OD2 ASP A 40 -25.183 17.952 -8.782 1.00 34.01 O ATOM 0 H ASP A 40 -22.693 15.599 -11.095 1.00 42.00 H new ATOM 0 HA ASP A 40 -21.511 17.552 -9.403 1.00 15.22 H new ATOM 0 HB2 ASP A 40 -23.777 15.554 -9.161 1.00 3.42 H new ATOM 0 HB3 ASP A 40 -23.290 16.523 -7.784 1.00 3.42 H new ATOM 616 N ARG A 41 -20.681 14.467 -8.909 1.00 50.54 N ATOM 617 CA ARG A 41 -19.828 13.576 -8.132 1.00 75.14 C ATOM 618 C ARG A 41 -18.386 13.636 -8.626 1.00 61.01 C ATOM 619 O ARG A 41 -17.648 12.654 -8.541 1.00 0.32 O ATOM 620 CB ARG A 41 -20.348 12.139 -8.215 1.00 5.23 C ATOM 621 CG ARG A 41 -21.806 11.994 -7.811 1.00 42.44 C ATOM 622 CD ARG A 41 -22.239 10.537 -7.801 1.00 62.31 C ATOM 623 NE ARG A 41 -21.585 9.779 -6.738 1.00 1.05 N ATOM 624 CZ ARG A 41 -21.877 8.516 -6.449 1.00 20.32 C ATOM 625 NH1 ARG A 41 -22.807 7.872 -7.141 1.00 23.01 N ATOM 626 NH2 ARG A 41 -21.238 7.894 -5.466 1.00 70.32 N ATOM 0 H ARG A 41 -21.029 14.065 -9.779 1.00 50.54 H new ATOM 0 HA ARG A 41 -19.851 13.905 -7.093 1.00 75.14 H new ATOM 0 HB2 ARG A 41 -20.225 11.775 -9.235 1.00 5.23 H new ATOM 0 HB3 ARG A 41 -19.737 11.503 -7.574 1.00 5.23 H new ATOM 0 HG2 ARG A 41 -21.955 12.426 -6.821 1.00 42.44 H new ATOM 0 HG3 ARG A 41 -22.434 12.557 -8.502 1.00 42.44 H new ATOM 0 HD2 ARG A 41 -23.320 10.481 -7.674 1.00 62.31 H new ATOM 0 HD3 ARG A 41 -22.008 10.083 -8.765 1.00 62.31 H new ATOM 0 HE ARG A 41 -20.864 10.245 -6.187 1.00 1.05 H new ATOM 0 HH11 ARG A 41 -23.300 8.347 -7.897 1.00 23.01 H new ATOM 0 HH12 ARG A 41 -23.029 6.902 -6.917 1.00 23.01 H new ATOM 0 HH21 ARG A 41 -20.522 8.386 -4.932 1.00 70.32 H new ATOM 0 HH22 ARG A 41 -21.463 6.924 -5.245 1.00 70.32 H new ATOM 640 N VAL A 42 -17.991 14.795 -9.143 1.00 64.04 N ATOM 641 CA VAL A 42 -16.637 14.984 -9.650 1.00 63.24 C ATOM 642 C VAL A 42 -16.104 16.367 -9.293 1.00 20.30 C ATOM 643 O VAL A 42 -16.783 17.375 -9.490 1.00 45.03 O ATOM 644 CB VAL A 42 -16.580 14.803 -11.179 1.00 25.11 C ATOM 645 CG1 VAL A 42 -15.151 14.950 -11.681 1.00 72.50 C ATOM 646 CG2 VAL A 42 -17.158 13.453 -11.577 1.00 44.43 C ATOM 0 H VAL A 42 -18.589 15.617 -9.222 1.00 64.04 H new ATOM 0 HA VAL A 42 -16.014 14.225 -9.178 1.00 63.24 H new ATOM 0 HB VAL A 42 -17.184 15.582 -11.643 1.00 25.11 H new ATOM 0 HG11 VAL A 42 -15.130 14.819 -12.763 1.00 72.50 H new ATOM 0 HG12 VAL A 42 -14.777 15.942 -11.428 1.00 72.50 H new ATOM 0 HG13 VAL A 42 -14.521 14.194 -11.212 1.00 72.50 H new ATOM 0 HG21 VAL A 42 -17.110 13.342 -12.660 1.00 44.43 H new ATOM 0 HG22 VAL A 42 -16.582 12.657 -11.105 1.00 44.43 H new ATOM 0 HG23 VAL A 42 -18.197 13.392 -11.252 1.00 44.43 H new ATOM 656 N TYR A 43 -14.885 16.407 -8.767 1.00 10.03 N ATOM 657 CA TYR A 43 -14.261 17.667 -8.380 1.00 21.44 C ATOM 658 C TYR A 43 -12.807 17.718 -8.839 1.00 51.34 C ATOM 659 O TYR A 43 -12.072 16.739 -8.720 1.00 23.12 O ATOM 660 CB TYR A 43 -14.335 17.852 -6.863 1.00 24.40 C ATOM 661 CG TYR A 43 -15.661 18.396 -6.383 1.00 50.12 C ATOM 662 CD1 TYR A 43 -16.756 17.559 -6.209 1.00 52.22 C ATOM 663 CD2 TYR A 43 -15.819 19.748 -6.103 1.00 24.02 C ATOM 664 CE1 TYR A 43 -17.970 18.053 -5.772 1.00 30.22 C ATOM 665 CE2 TYR A 43 -17.028 20.250 -5.663 1.00 53.15 C ATOM 666 CZ TYR A 43 -18.101 19.399 -5.500 1.00 71.31 C ATOM 667 OH TYR A 43 -19.308 19.894 -5.063 1.00 32.03 O ATOM 0 H TYR A 43 -14.309 15.582 -8.599 1.00 10.03 H new ATOM 0 HA TYR A 43 -14.805 18.477 -8.865 1.00 21.44 H new ATOM 0 HB2 TYR A 43 -14.149 16.893 -6.379 1.00 24.40 H new ATOM 0 HB3 TYR A 43 -13.540 18.528 -6.549 1.00 24.40 H new ATOM 0 HD1 TYR A 43 -16.657 16.504 -6.419 1.00 52.22 H new ATOM 0 HD2 TYR A 43 -14.982 20.418 -6.232 1.00 24.02 H new ATOM 0 HE1 TYR A 43 -18.812 17.389 -5.644 1.00 30.22 H new ATOM 0 HE2 TYR A 43 -17.133 21.303 -5.448 1.00 53.15 H new ATOM 0 HH TYR A 43 -19.810 19.182 -4.614 1.00 32.03 H new ATOM 677 N MET A 44 -12.400 18.869 -9.365 1.00 74.04 N ATOM 678 CA MET A 44 -11.034 19.050 -9.842 1.00 11.31 C ATOM 679 C MET A 44 -10.231 19.912 -8.873 1.00 45.45 C ATOM 680 O MET A 44 -10.569 21.071 -8.630 1.00 72.32 O ATOM 681 CB MET A 44 -11.037 19.691 -11.231 1.00 65.44 C ATOM 682 CG MET A 44 -11.795 21.007 -11.293 1.00 24.33 C ATOM 683 SD MET A 44 -13.227 20.933 -12.385 1.00 71.23 S ATOM 684 CE MET A 44 -13.008 22.437 -13.333 1.00 20.20 C ATOM 0 H MET A 44 -12.996 19.690 -9.472 1.00 74.04 H new ATOM 0 HA MET A 44 -10.564 18.069 -9.904 1.00 11.31 H new ATOM 0 HB2 MET A 44 -10.007 19.859 -11.546 1.00 65.44 H new ATOM 0 HB3 MET A 44 -11.478 18.993 -11.943 1.00 65.44 H new ATOM 0 HG2 MET A 44 -12.122 21.281 -10.290 1.00 24.33 H new ATOM 0 HG3 MET A 44 -11.122 21.793 -11.635 1.00 24.33 H new ATOM 0 HE1 MET A 44 -13.953 22.713 -13.800 1.00 20.20 H new ATOM 0 HE2 MET A 44 -12.682 23.240 -12.672 1.00 20.20 H new ATOM 0 HE3 MET A 44 -12.256 22.274 -14.105 1.00 20.20 H new ATOM 694 N VAL A 45 -9.165 19.340 -8.323 1.00 65.10 N ATOM 695 CA VAL A 45 -8.312 20.057 -7.382 1.00 34.53 C ATOM 696 C VAL A 45 -7.109 20.671 -8.088 1.00 22.24 C ATOM 697 O VAL A 45 -6.340 19.971 -8.749 1.00 13.25 O ATOM 698 CB VAL A 45 -7.816 19.130 -6.256 1.00 63.53 C ATOM 699 CG1 VAL A 45 -6.901 19.886 -5.306 1.00 3.33 C ATOM 700 CG2 VAL A 45 -8.993 18.524 -5.507 1.00 61.31 C ATOM 0 H VAL A 45 -8.871 18.382 -8.513 1.00 65.10 H new ATOM 0 HA VAL A 45 -8.918 20.852 -6.947 1.00 34.53 H new ATOM 0 HB VAL A 45 -7.243 18.318 -6.704 1.00 63.53 H new ATOM 0 HG11 VAL A 45 -6.561 19.215 -4.517 1.00 3.33 H new ATOM 0 HG12 VAL A 45 -6.040 20.266 -5.856 1.00 3.33 H new ATOM 0 HG13 VAL A 45 -7.445 20.720 -4.863 1.00 3.33 H new ATOM 0 HG21 VAL A 45 -8.624 17.872 -4.715 1.00 61.31 H new ATOM 0 HG22 VAL A 45 -9.595 19.321 -5.070 1.00 61.31 H new ATOM 0 HG23 VAL A 45 -9.605 17.945 -6.198 1.00 61.31 H new ATOM 710 N CYS A 46 -6.951 21.982 -7.943 1.00 22.32 N ATOM 711 CA CYS A 46 -5.840 22.691 -8.567 1.00 41.41 C ATOM 712 C CYS A 46 -4.694 22.884 -7.579 1.00 63.54 C ATOM 713 O CYS A 46 -4.847 23.552 -6.556 1.00 60.11 O ATOM 714 CB CYS A 46 -6.307 24.049 -9.095 1.00 60.42 C ATOM 715 SG CYS A 46 -7.575 23.944 -10.380 1.00 0.00 S ATOM 0 H CYS A 46 -7.578 22.575 -7.399 1.00 22.32 H new ATOM 0 HA CYS A 46 -5.480 22.089 -9.401 1.00 41.41 H new ATOM 0 HB2 CYS A 46 -6.696 24.636 -8.263 1.00 60.42 H new ATOM 0 HB3 CYS A 46 -5.447 24.588 -9.491 1.00 60.42 H new ATOM 0 HG CYS A 46 -7.907 25.142 -10.761 1.00 0.00 H new ATOM 721 N LEU A 47 -3.546 22.292 -7.891 1.00 43.33 N ATOM 722 CA LEU A 47 -2.373 22.397 -7.030 1.00 63.33 C ATOM 723 C LEU A 47 -1.631 23.707 -7.277 1.00 31.32 C ATOM 724 O LEU A 47 -1.683 24.265 -8.373 1.00 2.53 O ATOM 725 CB LEU A 47 -1.434 21.213 -7.269 1.00 5.11 C ATOM 726 CG LEU A 47 -2.041 19.824 -7.072 1.00 73.23 C ATOM 727 CD1 LEU A 47 -1.021 18.744 -7.398 1.00 73.05 C ATOM 728 CD2 LEU A 47 -2.554 19.663 -5.649 1.00 35.22 C ATOM 0 H LEU A 47 -3.403 21.735 -8.733 1.00 43.33 H new ATOM 0 HA LEU A 47 -2.711 22.382 -5.994 1.00 63.33 H new ATOM 0 HB2 LEU A 47 -1.051 21.279 -8.287 1.00 5.11 H new ATOM 0 HB3 LEU A 47 -0.579 21.312 -6.600 1.00 5.11 H new ATOM 0 HG LEU A 47 -2.884 19.717 -7.755 1.00 73.23 H new ATOM 0 HD11 LEU A 47 -1.471 17.762 -7.252 1.00 73.05 H new ATOM 0 HD12 LEU A 47 -0.702 18.846 -8.435 1.00 73.05 H new ATOM 0 HD13 LEU A 47 -0.158 18.849 -6.741 1.00 73.05 H new ATOM 0 HD21 LEU A 47 -2.983 18.668 -5.527 1.00 35.22 H new ATOM 0 HD22 LEU A 47 -1.729 19.791 -4.948 1.00 35.22 H new ATOM 0 HD23 LEU A 47 -3.318 20.414 -5.451 1.00 35.22 H new ATOM 740 N LYS A 48 -0.939 24.191 -6.251 1.00 14.01 N ATOM 741 CA LYS A 48 -0.183 25.433 -6.356 1.00 14.44 C ATOM 742 C LYS A 48 0.899 25.323 -7.425 1.00 12.31 C ATOM 743 O LYS A 48 1.046 24.283 -8.066 1.00 52.32 O ATOM 744 CB LYS A 48 0.450 25.784 -5.008 1.00 25.15 C ATOM 745 CG LYS A 48 -0.297 26.865 -4.247 1.00 0.33 C ATOM 746 CD LYS A 48 0.513 27.379 -3.068 1.00 51.33 C ATOM 747 CE LYS A 48 -0.294 27.343 -1.779 1.00 41.34 C ATOM 748 NZ LYS A 48 0.019 28.501 -0.897 1.00 0.13 N ATOM 0 H LYS A 48 -0.886 23.742 -5.337 1.00 14.01 H new ATOM 0 HA LYS A 48 -0.873 26.226 -6.644 1.00 14.44 H new ATOM 0 HB2 LYS A 48 0.497 24.885 -4.393 1.00 25.15 H new ATOM 0 HB3 LYS A 48 1.477 26.111 -5.173 1.00 25.15 H new ATOM 0 HG2 LYS A 48 -0.527 27.692 -4.919 1.00 0.33 H new ATOM 0 HG3 LYS A 48 -1.248 26.469 -3.891 1.00 0.33 H new ATOM 0 HD2 LYS A 48 1.413 26.775 -2.952 1.00 51.33 H new ATOM 0 HD3 LYS A 48 0.838 28.400 -3.266 1.00 51.33 H new ATOM 0 HE2 LYS A 48 -1.358 27.344 -2.016 1.00 41.34 H new ATOM 0 HE3 LYS A 48 -0.087 26.415 -1.247 1.00 41.34 H new ATOM 0 HZ1 LYS A 48 -0.551 28.440 -0.029 1.00 0.13 H new ATOM 0 HZ2 LYS A 48 1.029 28.486 -0.650 1.00 0.13 H new ATOM 0 HZ3 LYS A 48 -0.202 29.387 -1.395 1.00 0.13 H new ATOM 762 N GLN A 49 1.654 26.401 -7.610 1.00 14.53 N ATOM 763 CA GLN A 49 2.723 26.424 -8.601 1.00 13.20 C ATOM 764 C GLN A 49 4.047 25.986 -7.984 1.00 12.23 C ATOM 765 O GLN A 49 4.555 26.624 -7.063 1.00 1.31 O ATOM 766 CB GLN A 49 2.864 27.825 -9.198 1.00 54.41 C ATOM 767 CG GLN A 49 3.044 28.916 -8.155 1.00 0.13 C ATOM 768 CD GLN A 49 1.864 29.866 -8.093 1.00 43.15 C ATOM 769 OE1 GLN A 49 1.482 30.466 -9.099 1.00 25.30 O ATOM 770 NE2 GLN A 49 1.279 30.008 -6.910 1.00 2.50 N ATOM 0 H GLN A 49 1.545 27.270 -7.087 1.00 14.53 H new ATOM 0 HA GLN A 49 2.463 25.723 -9.394 1.00 13.20 H new ATOM 0 HB2 GLN A 49 3.717 27.838 -9.876 1.00 54.41 H new ATOM 0 HB3 GLN A 49 1.979 28.047 -9.795 1.00 54.41 H new ATOM 0 HG2 GLN A 49 3.188 28.458 -7.177 1.00 0.13 H new ATOM 0 HG3 GLN A 49 3.949 29.481 -8.379 1.00 0.13 H new ATOM 0 HE21 GLN A 49 1.628 29.491 -6.103 1.00 2.50 H new ATOM 0 HE22 GLN A 49 0.480 30.634 -6.808 1.00 2.50 H new ATOM 779 N GLY A 50 4.601 24.892 -8.498 1.00 33.04 N ATOM 780 CA GLY A 50 5.861 24.387 -7.984 1.00 54.11 C ATOM 781 C GLY A 50 5.671 23.418 -6.834 1.00 63.11 C ATOM 782 O GLY A 50 6.616 23.118 -6.104 1.00 40.11 O ATOM 0 H GLY A 50 4.200 24.347 -9.261 1.00 33.04 H new ATOM 0 HA2 GLY A 50 6.405 23.890 -8.788 1.00 54.11 H new ATOM 0 HA3 GLY A 50 6.476 25.224 -7.652 1.00 54.11 H new ATOM 786 N SER A 51 4.447 22.928 -6.671 1.00 34.32 N ATOM 787 CA SER A 51 4.135 21.991 -5.598 1.00 20.14 C ATOM 788 C SER A 51 3.800 20.613 -6.160 1.00 33.22 C ATOM 789 O SER A 51 3.550 20.461 -7.356 1.00 72.50 O ATOM 790 CB SER A 51 2.965 22.512 -4.761 1.00 75.33 C ATOM 791 OG SER A 51 3.245 23.797 -4.236 1.00 4.42 O ATOM 0 H SER A 51 3.655 23.164 -7.268 1.00 34.32 H new ATOM 0 HA SER A 51 5.015 21.900 -4.961 1.00 20.14 H new ATOM 0 HB2 SER A 51 2.065 22.555 -5.375 1.00 75.33 H new ATOM 0 HB3 SER A 51 2.761 21.819 -3.945 1.00 75.33 H new ATOM 0 HG SER A 51 2.481 24.108 -3.707 1.00 4.42 H new ATOM 797 N THR A 52 3.796 19.610 -5.287 1.00 63.55 N ATOM 798 CA THR A 52 3.493 18.243 -5.695 1.00 3.50 C ATOM 799 C THR A 52 2.658 17.527 -4.640 1.00 0.31 C ATOM 800 O THR A 52 3.100 17.339 -3.506 1.00 62.14 O ATOM 801 CB THR A 52 4.779 17.435 -5.951 1.00 4.22 C ATOM 802 OG1 THR A 52 5.556 18.062 -6.977 1.00 41.34 O ATOM 803 CG2 THR A 52 4.449 16.007 -6.359 1.00 1.45 C ATOM 0 H THR A 52 3.999 19.718 -4.293 1.00 63.55 H new ATOM 0 HA THR A 52 2.924 18.309 -6.622 1.00 3.50 H new ATOM 0 HB THR A 52 5.354 17.408 -5.026 1.00 4.22 H new ATOM 0 HG1 THR A 52 6.373 17.543 -7.132 1.00 41.34 H new ATOM 0 HG21 THR A 52 5.373 15.456 -6.534 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.883 15.523 -5.563 1.00 1.45 H new ATOM 0 HG23 THR A 52 3.854 16.018 -7.272 1.00 1.45 H new ATOM 811 N PHE A 53 1.448 17.129 -5.020 1.00 3.34 N ATOM 812 CA PHE A 53 0.550 16.433 -4.105 1.00 45.41 C ATOM 813 C PHE A 53 0.919 14.956 -4.001 1.00 15.34 C ATOM 814 O PHE A 53 0.530 14.147 -4.843 1.00 32.23 O ATOM 815 CB PHE A 53 -0.899 16.578 -4.572 1.00 75.41 C ATOM 816 CG PHE A 53 -1.907 16.254 -3.507 1.00 14.15 C ATOM 817 CD1 PHE A 53 -2.029 14.963 -3.019 1.00 13.03 C ATOM 818 CD2 PHE A 53 -2.733 17.241 -2.993 1.00 53.11 C ATOM 819 CE1 PHE A 53 -2.956 14.662 -2.038 1.00 25.01 C ATOM 820 CE2 PHE A 53 -3.661 16.946 -2.012 1.00 40.11 C ATOM 821 CZ PHE A 53 -3.773 15.655 -1.535 1.00 31.23 C ATOM 0 H PHE A 53 1.067 17.276 -5.955 1.00 3.34 H new ATOM 0 HA PHE A 53 0.653 16.885 -3.118 1.00 45.41 H new ATOM 0 HB2 PHE A 53 -1.061 17.600 -4.916 1.00 75.41 H new ATOM 0 HB3 PHE A 53 -1.064 15.924 -5.428 1.00 75.41 H new ATOM 0 HD1 PHE A 53 -1.393 14.183 -3.409 1.00 13.03 H new ATOM 0 HD2 PHE A 53 -2.651 18.252 -3.363 1.00 53.11 H new ATOM 0 HE1 PHE A 53 -3.041 13.652 -1.666 1.00 25.01 H new ATOM 0 HE2 PHE A 53 -4.298 17.725 -1.619 1.00 40.11 H new ATOM 0 HZ PHE A 53 -4.499 15.422 -0.770 1.00 31.23 H new ATOM 831 N VAL A 54 1.672 14.612 -2.961 1.00 14.44 N ATOM 832 CA VAL A 54 2.093 13.233 -2.744 1.00 54.33 C ATOM 833 C VAL A 54 1.316 12.595 -1.598 1.00 41.10 C ATOM 834 O VAL A 54 1.011 13.249 -0.600 1.00 11.40 O ATOM 835 CB VAL A 54 3.600 13.148 -2.439 1.00 72.10 C ATOM 836 CG1 VAL A 54 3.999 11.716 -2.114 1.00 13.51 C ATOM 837 CG2 VAL A 54 4.411 13.684 -3.609 1.00 61.50 C ATOM 0 H VAL A 54 2.003 15.270 -2.255 1.00 14.44 H new ATOM 0 HA VAL A 54 1.886 12.690 -3.666 1.00 54.33 H new ATOM 0 HB VAL A 54 3.812 13.766 -1.566 1.00 72.10 H new ATOM 0 HG11 VAL A 54 5.067 11.675 -1.901 1.00 13.51 H new ATOM 0 HG12 VAL A 54 3.442 11.372 -1.242 1.00 13.51 H new ATOM 0 HG13 VAL A 54 3.774 11.073 -2.965 1.00 13.51 H new ATOM 0 HG21 VAL A 54 5.474 13.616 -3.376 1.00 61.50 H new ATOM 0 HG22 VAL A 54 4.197 13.095 -4.501 1.00 61.50 H new ATOM 0 HG23 VAL A 54 4.145 14.725 -3.790 1.00 61.50 H new ATOM 847 N LEU A 55 0.999 11.314 -1.747 1.00 21.31 N ATOM 848 CA LEU A 55 0.258 10.585 -0.723 1.00 71.13 C ATOM 849 C LEU A 55 1.106 9.464 -0.131 1.00 1.11 C ATOM 850 O LEU A 55 1.302 8.423 -0.757 1.00 14.30 O ATOM 851 CB LEU A 55 -1.031 10.008 -1.312 1.00 44.12 C ATOM 852 CG LEU A 55 -2.139 11.016 -1.619 1.00 44.30 C ATOM 853 CD1 LEU A 55 -2.459 11.021 -3.106 1.00 12.14 C ATOM 854 CD2 LEU A 55 -3.385 10.704 -0.804 1.00 22.43 C ATOM 0 H LEU A 55 1.243 10.758 -2.567 1.00 21.31 H new ATOM 0 HA LEU A 55 0.005 11.284 0.074 1.00 71.13 H new ATOM 0 HB2 LEU A 55 -0.782 9.481 -2.233 1.00 44.12 H new ATOM 0 HB3 LEU A 55 -1.424 9.267 -0.617 1.00 44.12 H new ATOM 0 HG LEU A 55 -1.787 12.009 -1.341 1.00 44.30 H new ATOM 0 HD11 LEU A 55 -3.250 11.744 -3.306 1.00 12.14 H new ATOM 0 HD12 LEU A 55 -1.567 11.294 -3.669 1.00 12.14 H new ATOM 0 HD13 LEU A 55 -2.790 10.028 -3.410 1.00 12.14 H new ATOM 0 HD21 LEU A 55 -4.163 11.432 -1.036 1.00 22.43 H new ATOM 0 HD22 LEU A 55 -3.740 9.703 -1.050 1.00 22.43 H new ATOM 0 HD23 LEU A 55 -3.147 10.753 0.258 1.00 22.43 H new ATOM 866 N ASN A 56 1.606 9.684 1.081 1.00 54.21 N ATOM 867 CA ASN A 56 2.432 8.692 1.759 1.00 74.20 C ATOM 868 C ASN A 56 1.646 7.407 2.005 1.00 3.13 C ATOM 869 O ASN A 56 2.223 6.325 2.110 1.00 13.33 O ATOM 870 CB ASN A 56 2.949 9.249 3.087 1.00 55.33 C ATOM 871 CG ASN A 56 4.223 10.054 2.919 1.00 70.11 C ATOM 872 OD1 ASN A 56 4.836 10.051 1.851 1.00 10.13 O ATOM 873 ND2 ASN A 56 4.628 10.748 3.976 1.00 31.13 N ATOM 0 H ASN A 56 1.453 10.541 1.613 1.00 54.21 H new ATOM 0 HA ASN A 56 3.281 8.461 1.115 1.00 74.20 H new ATOM 0 HB2 ASN A 56 2.181 9.878 3.537 1.00 55.33 H new ATOM 0 HB3 ASN A 56 3.131 8.425 3.777 1.00 55.33 H new ATOM 0 HD21 ASN A 56 5.479 11.308 3.923 1.00 31.13 H new ATOM 0 HD22 ASN A 56 4.088 10.721 4.841 1.00 31.13 H new ATOM 880 N GLY A 57 0.326 7.535 2.096 1.00 51.01 N ATOM 881 CA GLY A 57 -0.517 6.377 2.329 1.00 53.05 C ATOM 882 C GLY A 57 -1.304 5.976 1.097 1.00 71.24 C ATOM 883 O GLY A 57 -2.053 5.000 1.120 1.00 23.11 O ATOM 0 H GLY A 57 -0.175 8.420 2.013 1.00 51.01 H new ATOM 0 HA2 GLY A 57 0.102 5.539 2.650 1.00 53.05 H new ATOM 0 HA3 GLY A 57 -1.208 6.593 3.144 1.00 53.05 H new ATOM 887 N GLY A 58 -1.136 6.732 0.016 1.00 3.41 N ATOM 888 CA GLY A 58 -1.844 6.435 -1.215 1.00 51.41 C ATOM 889 C GLY A 58 -3.277 6.929 -1.193 1.00 41.43 C ATOM 890 O GLY A 58 -3.622 7.818 -0.414 1.00 32.24 O ATOM 0 H GLY A 58 -0.522 7.545 -0.029 1.00 3.41 H new ATOM 0 HA2 GLY A 58 -1.318 6.893 -2.053 1.00 51.41 H new ATOM 0 HA3 GLY A 58 -1.837 5.358 -1.384 1.00 51.41 H new ATOM 894 N ILE A 59 -4.112 6.354 -2.052 1.00 14.43 N ATOM 895 CA ILE A 59 -5.515 6.742 -2.128 1.00 14.53 C ATOM 896 C ILE A 59 -6.322 6.113 -0.997 1.00 2.43 C ATOM 897 O ILE A 59 -7.378 6.620 -0.619 1.00 24.34 O ATOM 898 CB ILE A 59 -6.140 6.336 -3.476 1.00 4.12 C ATOM 899 CG1 ILE A 59 -5.388 7.000 -4.631 1.00 63.34 C ATOM 900 CG2 ILE A 59 -7.614 6.711 -3.511 1.00 63.22 C ATOM 901 CD1 ILE A 59 -5.347 8.509 -4.538 1.00 72.15 C ATOM 0 H ILE A 59 -3.841 5.618 -2.705 1.00 14.43 H new ATOM 0 HA ILE A 59 -5.547 7.827 -2.034 1.00 14.53 H new ATOM 0 HB ILE A 59 -6.058 5.255 -3.587 1.00 4.12 H new ATOM 0 HG12 ILE A 59 -4.367 6.618 -4.657 1.00 63.34 H new ATOM 0 HG13 ILE A 59 -5.859 6.715 -5.572 1.00 63.34 H new ATOM 0 HG21 ILE A 59 -8.041 6.418 -4.470 1.00 63.22 H new ATOM 0 HG22 ILE A 59 -8.140 6.196 -2.707 1.00 63.22 H new ATOM 0 HG23 ILE A 59 -7.719 7.788 -3.382 1.00 63.22 H new ATOM 0 HD11 ILE A 59 -4.798 8.911 -5.390 1.00 72.15 H new ATOM 0 HD12 ILE A 59 -6.364 8.902 -4.543 1.00 72.15 H new ATOM 0 HD13 ILE A 59 -4.849 8.803 -3.614 1.00 72.15 H new ATOM 913 N GLU A 60 -5.815 5.008 -0.460 1.00 33.31 N ATOM 914 CA GLU A 60 -6.489 4.310 0.629 1.00 1.33 C ATOM 915 C GLU A 60 -6.662 5.227 1.837 1.00 31.42 C ATOM 916 O GLU A 60 -7.724 5.258 2.458 1.00 72.33 O ATOM 917 CB GLU A 60 -5.700 3.063 1.031 1.00 64.41 C ATOM 918 CG GLU A 60 -5.440 2.109 -0.123 1.00 70.12 C ATOM 919 CD GLU A 60 -4.697 0.859 0.308 1.00 0.53 C ATOM 920 OE1 GLU A 60 -5.192 0.159 1.216 1.00 14.10 O ATOM 921 OE2 GLU A 60 -3.621 0.582 -0.261 1.00 2.11 O ATOM 0 H GLU A 60 -4.941 4.577 -0.761 1.00 33.31 H new ATOM 0 HA GLU A 60 -7.476 4.009 0.278 1.00 1.33 H new ATOM 0 HB2 GLU A 60 -4.746 3.370 1.460 1.00 64.41 H new ATOM 0 HB3 GLU A 60 -6.246 2.534 1.813 1.00 64.41 H new ATOM 0 HG2 GLU A 60 -6.390 1.824 -0.575 1.00 70.12 H new ATOM 0 HG3 GLU A 60 -4.863 2.623 -0.891 1.00 70.12 H new ATOM 928 N GLU A 61 -5.610 5.970 2.164 1.00 2.33 N ATOM 929 CA GLU A 61 -5.645 6.886 3.299 1.00 73.04 C ATOM 930 C GLU A 61 -6.691 7.977 3.085 1.00 62.23 C ATOM 931 O GLU A 61 -7.310 8.455 4.036 1.00 21.44 O ATOM 932 CB GLU A 61 -4.269 7.519 3.515 1.00 70.30 C ATOM 933 CG GLU A 61 -3.946 8.625 2.525 1.00 4.55 C ATOM 934 CD GLU A 61 -4.347 9.997 3.032 1.00 33.05 C ATOM 935 OE1 GLU A 61 -4.982 10.071 4.105 1.00 3.23 O ATOM 936 OE2 GLU A 61 -4.026 10.996 2.356 1.00 54.44 O ATOM 0 H GLU A 61 -4.723 5.956 1.660 1.00 2.33 H new ATOM 0 HA GLU A 61 -5.917 6.314 4.186 1.00 73.04 H new ATOM 0 HB2 GLU A 61 -4.219 7.922 4.526 1.00 70.30 H new ATOM 0 HB3 GLU A 61 -3.506 6.744 3.442 1.00 70.30 H new ATOM 0 HG2 GLU A 61 -2.877 8.618 2.314 1.00 4.55 H new ATOM 0 HG3 GLU A 61 -4.458 8.426 1.584 1.00 4.55 H new ATOM 943 N LEU A 62 -6.882 8.367 1.829 1.00 22.32 N ATOM 944 CA LEU A 62 -7.852 9.402 1.489 1.00 63.23 C ATOM 945 C LEU A 62 -9.278 8.888 1.656 1.00 70.44 C ATOM 946 O LEU A 62 -10.176 9.635 2.044 1.00 31.54 O ATOM 947 CB LEU A 62 -7.634 9.879 0.052 1.00 54.13 C ATOM 948 CG LEU A 62 -7.771 11.384 -0.184 1.00 34.32 C ATOM 949 CD1 LEU A 62 -6.722 12.146 0.610 1.00 65.04 C ATOM 950 CD2 LEU A 62 -7.658 11.704 -1.667 1.00 72.11 C ATOM 0 H LEU A 62 -6.378 7.982 1.030 1.00 22.32 H new ATOM 0 HA LEU A 62 -7.706 10.241 2.170 1.00 63.23 H new ATOM 0 HB2 LEU A 62 -6.637 9.571 -0.265 1.00 54.13 H new ATOM 0 HB3 LEU A 62 -8.346 9.364 -0.593 1.00 54.13 H new ATOM 0 HG LEU A 62 -8.756 11.698 0.160 1.00 34.32 H new ATOM 0 HD11 LEU A 62 -6.835 13.215 0.430 1.00 65.04 H new ATOM 0 HD12 LEU A 62 -6.851 11.942 1.673 1.00 65.04 H new ATOM 0 HD13 LEU A 62 -5.727 11.828 0.297 1.00 65.04 H new ATOM 0 HD21 LEU A 62 -7.758 12.779 -1.816 1.00 72.11 H new ATOM 0 HD22 LEU A 62 -6.687 11.375 -2.037 1.00 72.11 H new ATOM 0 HD23 LEU A 62 -8.448 11.187 -2.212 1.00 72.11 H new ATOM 962 N ARG A 63 -9.478 7.607 1.361 1.00 12.21 N ATOM 963 CA ARG A 63 -10.795 6.993 1.480 1.00 70.24 C ATOM 964 C ARG A 63 -11.330 7.123 2.903 1.00 64.11 C ATOM 965 O ARG A 63 -12.461 7.561 3.115 1.00 73.41 O ATOM 966 CB ARG A 63 -10.731 5.517 1.080 1.00 3.44 C ATOM 967 CG ARG A 63 -10.404 5.297 -0.388 1.00 4.45 C ATOM 968 CD ARG A 63 -10.411 3.819 -0.744 1.00 54.25 C ATOM 969 NE ARG A 63 -9.808 3.000 0.303 1.00 23.01 N ATOM 970 CZ ARG A 63 -10.046 1.701 0.449 1.00 1.44 C ATOM 971 NH1 ARG A 63 -10.870 1.078 -0.381 1.00 34.43 N ATOM 972 NH2 ARG A 63 -9.458 1.024 1.427 1.00 34.24 N ATOM 0 H ARG A 63 -8.745 6.975 1.038 1.00 12.21 H new ATOM 0 HA ARG A 63 -11.474 7.516 0.807 1.00 70.24 H new ATOM 0 HB2 ARG A 63 -9.979 5.016 1.690 1.00 3.44 H new ATOM 0 HB3 ARG A 63 -11.688 5.047 1.305 1.00 3.44 H new ATOM 0 HG2 ARG A 63 -11.130 5.825 -1.007 1.00 4.45 H new ATOM 0 HG3 ARG A 63 -9.425 5.722 -0.612 1.00 4.45 H new ATOM 0 HD2 ARG A 63 -11.437 3.492 -0.914 1.00 54.25 H new ATOM 0 HD3 ARG A 63 -9.870 3.669 -1.678 1.00 54.25 H new ATOM 0 HE ARG A 63 -9.169 3.450 0.959 1.00 23.01 H new ATOM 0 HH11 ARG A 63 -11.323 1.596 -1.134 1.00 34.43 H new ATOM 0 HH12 ARG A 63 -11.051 0.081 -0.267 1.00 34.43 H new ATOM 0 HH21 ARG A 63 -8.823 1.501 2.067 1.00 34.24 H new ATOM 0 HH22 ARG A 63 -9.641 0.027 1.539 1.00 34.24 H new ATOM 986 N LEU A 64 -10.509 6.740 3.875 1.00 60.33 N ATOM 987 CA LEU A 64 -10.899 6.813 5.279 1.00 62.25 C ATOM 988 C LEU A 64 -11.098 8.261 5.714 1.00 54.14 C ATOM 989 O LEU A 64 -11.961 8.559 6.541 1.00 61.11 O ATOM 990 CB LEU A 64 -9.840 6.146 6.158 1.00 63.42 C ATOM 991 CG LEU A 64 -9.795 4.618 6.112 1.00 21.21 C ATOM 992 CD1 LEU A 64 -8.382 4.117 6.372 1.00 55.34 C ATOM 993 CD2 LEU A 64 -10.767 4.025 7.122 1.00 3.31 C ATOM 0 H LEU A 64 -9.569 6.376 3.717 1.00 60.33 H new ATOM 0 HA LEU A 64 -11.845 6.284 5.396 1.00 62.25 H new ATOM 0 HB2 LEU A 64 -8.862 6.527 5.866 1.00 63.42 H new ATOM 0 HB3 LEU A 64 -10.007 6.454 7.190 1.00 63.42 H new ATOM 0 HG LEU A 64 -10.095 4.295 5.115 1.00 21.21 H new ATOM 0 HD11 LEU A 64 -8.370 3.028 6.335 1.00 55.34 H new ATOM 0 HD12 LEU A 64 -7.710 4.513 5.611 1.00 55.34 H new ATOM 0 HD13 LEU A 64 -8.053 4.451 7.356 1.00 55.34 H new ATOM 0 HD21 LEU A 64 -10.722 2.937 7.075 1.00 3.31 H new ATOM 0 HD22 LEU A 64 -10.497 4.357 8.125 1.00 3.31 H new ATOM 0 HD23 LEU A 64 -11.779 4.356 6.890 1.00 3.31 H new ATOM 1005 N LEU A 65 -10.297 9.158 5.150 1.00 54.33 N ATOM 1006 CA LEU A 65 -10.387 10.577 5.477 1.00 11.12 C ATOM 1007 C LEU A 65 -11.821 11.079 5.337 1.00 64.25 C ATOM 1008 O LEU A 65 -12.506 11.320 6.331 1.00 54.25 O ATOM 1009 CB LEU A 65 -9.459 11.389 4.572 1.00 12.31 C ATOM 1010 CG LEU A 65 -8.208 11.965 5.237 1.00 60.43 C ATOM 1011 CD1 LEU A 65 -7.289 12.585 4.196 1.00 4.45 C ATOM 1012 CD2 LEU A 65 -8.589 12.990 6.294 1.00 15.31 C ATOM 0 H LEU A 65 -9.578 8.928 4.464 1.00 54.33 H new ATOM 0 HA LEU A 65 -10.077 10.706 6.514 1.00 11.12 H new ATOM 0 HB2 LEU A 65 -9.146 10.754 3.743 1.00 12.31 H new ATOM 0 HB3 LEU A 65 -10.031 12.213 4.144 1.00 12.31 H new ATOM 0 HG LEU A 65 -7.672 11.152 5.727 1.00 60.43 H new ATOM 0 HD11 LEU A 65 -6.404 12.990 4.687 1.00 4.45 H new ATOM 0 HD12 LEU A 65 -6.988 11.824 3.476 1.00 4.45 H new ATOM 0 HD13 LEU A 65 -7.815 13.387 3.678 1.00 4.45 H new ATOM 0 HD21 LEU A 65 -7.686 13.389 6.756 1.00 15.31 H new ATOM 0 HD22 LEU A 65 -9.148 13.802 5.829 1.00 15.31 H new ATOM 0 HD23 LEU A 65 -9.207 12.515 7.056 1.00 15.31 H new ATOM 1024 N THR A 66 -12.269 11.232 4.094 1.00 14.25 N ATOM 1025 CA THR A 66 -13.621 11.704 3.823 1.00 34.21 C ATOM 1026 C THR A 66 -14.662 10.762 4.418 1.00 10.10 C ATOM 1027 O THR A 66 -15.776 11.175 4.739 1.00 62.34 O ATOM 1028 CB THR A 66 -13.875 11.841 2.310 1.00 13.20 C ATOM 1029 OG1 THR A 66 -15.141 12.470 2.081 1.00 74.42 O ATOM 1030 CG2 THR A 66 -13.849 10.480 1.631 1.00 3.11 C ATOM 0 H THR A 66 -11.715 11.036 3.260 1.00 14.25 H new ATOM 0 HA THR A 66 -13.713 12.685 4.290 1.00 34.21 H new ATOM 0 HB THR A 66 -13.082 12.456 1.885 1.00 13.20 H new ATOM 0 HG1 THR A 66 -15.141 12.893 1.197 1.00 74.42 H new ATOM 0 HG21 THR A 66 -14.031 10.603 0.563 1.00 3.11 H new ATOM 0 HG22 THR A 66 -12.874 10.016 1.782 1.00 3.11 H new ATOM 0 HG23 THR A 66 -14.623 9.844 2.060 1.00 3.11 H new ATOM 1038 N GLY A 67 -14.291 9.493 4.564 1.00 51.52 N ATOM 1039 CA GLY A 67 -15.204 8.513 5.121 1.00 34.00 C ATOM 1040 C GLY A 67 -15.913 7.707 4.051 1.00 71.23 C ATOM 1041 O GLY A 67 -17.072 7.325 4.217 1.00 41.45 O ATOM 0 H GLY A 67 -13.374 9.127 4.306 1.00 51.52 H new ATOM 0 HA2 GLY A 67 -14.652 7.837 5.775 1.00 34.00 H new ATOM 0 HA3 GLY A 67 -15.944 9.021 5.739 1.00 34.00 H new ATOM 1045 N ASP A 68 -15.217 7.448 2.949 1.00 20.13 N ATOM 1046 CA ASP A 68 -15.787 6.682 1.847 1.00 50.32 C ATOM 1047 C ASP A 68 -14.721 5.825 1.172 1.00 3.10 C ATOM 1048 O ASP A 68 -13.599 6.277 0.945 1.00 5.31 O ATOM 1049 CB ASP A 68 -16.427 7.621 0.823 1.00 13.22 C ATOM 1050 CG ASP A 68 -17.642 7.007 0.155 1.00 42.31 C ATOM 1051 OD1 ASP A 68 -18.365 6.243 0.827 1.00 72.13 O ATOM 1052 OD2 ASP A 68 -17.868 7.291 -1.040 1.00 75.33 O ATOM 0 H ASP A 68 -14.257 7.757 2.795 1.00 20.13 H new ATOM 0 HA ASP A 68 -16.554 6.023 2.254 1.00 50.32 H new ATOM 0 HB2 ASP A 68 -16.717 8.549 1.316 1.00 13.22 H new ATOM 0 HB3 ASP A 68 -15.691 7.881 0.063 1.00 13.22 H new ATOM 1057 N SER A 69 -15.079 4.585 0.855 1.00 40.02 N ATOM 1058 CA SER A 69 -14.151 3.663 0.210 1.00 34.55 C ATOM 1059 C SER A 69 -14.272 3.743 -1.308 1.00 52.23 C ATOM 1060 O SER A 69 -13.777 2.876 -2.030 1.00 15.42 O ATOM 1061 CB SER A 69 -14.415 2.230 0.679 1.00 14.31 C ATOM 1062 OG SER A 69 -14.143 2.088 2.063 1.00 52.15 O ATOM 0 H SER A 69 -16.005 4.196 1.034 1.00 40.02 H new ATOM 0 HA SER A 69 -13.138 3.950 0.492 1.00 34.55 H new ATOM 0 HB2 SER A 69 -15.453 1.964 0.480 1.00 14.31 H new ATOM 0 HB3 SER A 69 -13.794 1.538 0.110 1.00 14.31 H new ATOM 0 HG SER A 69 -14.321 1.164 2.338 1.00 52.15 H new ATOM 1068 N THR A 70 -14.934 4.791 -1.788 1.00 53.43 N ATOM 1069 CA THR A 70 -15.122 4.986 -3.220 1.00 53.33 C ATOM 1070 C THR A 70 -14.308 6.172 -3.725 1.00 61.13 C ATOM 1071 O THR A 70 -14.081 6.315 -4.927 1.00 43.24 O ATOM 1072 CB THR A 70 -16.606 5.213 -3.567 1.00 31.55 C ATOM 1073 OG1 THR A 70 -17.437 4.443 -2.690 1.00 5.24 O ATOM 1074 CG2 THR A 70 -16.890 4.826 -5.010 1.00 42.33 C ATOM 0 H THR A 70 -15.349 5.518 -1.205 1.00 53.43 H new ATOM 0 HA THR A 70 -14.777 4.076 -3.710 1.00 53.33 H new ATOM 0 HB THR A 70 -16.828 6.273 -3.441 1.00 31.55 H new ATOM 0 HG1 THR A 70 -18.379 4.594 -2.916 1.00 5.24 H new ATOM 0 HG21 THR A 70 -17.944 4.995 -5.231 1.00 42.33 H new ATOM 0 HG22 THR A 70 -16.277 5.433 -5.677 1.00 42.33 H new ATOM 0 HG23 THR A 70 -16.653 3.772 -5.158 1.00 42.33 H new ATOM 1082 N LEU A 71 -13.870 7.019 -2.801 1.00 11.51 N ATOM 1083 CA LEU A 71 -13.079 8.194 -3.153 1.00 32.33 C ATOM 1084 C LEU A 71 -11.805 7.792 -3.889 1.00 74.41 C ATOM 1085 O LEU A 71 -10.942 7.116 -3.331 1.00 30.32 O ATOM 1086 CB LEU A 71 -12.725 8.990 -1.895 1.00 73.04 C ATOM 1087 CG LEU A 71 -11.888 10.251 -2.113 1.00 23.30 C ATOM 1088 CD1 LEU A 71 -12.218 11.299 -1.062 1.00 23.23 C ATOM 1089 CD2 LEU A 71 -10.403 9.916 -2.087 1.00 75.24 C ATOM 0 H LEU A 71 -14.049 6.915 -1.802 1.00 11.51 H new ATOM 0 HA LEU A 71 -13.677 8.820 -3.815 1.00 32.33 H new ATOM 0 HB2 LEU A 71 -13.652 9.275 -1.396 1.00 73.04 H new ATOM 0 HB3 LEU A 71 -12.185 8.333 -1.213 1.00 73.04 H new ATOM 0 HG LEU A 71 -12.131 10.661 -3.093 1.00 23.30 H new ATOM 0 HD11 LEU A 71 -11.613 12.189 -1.233 1.00 23.23 H new ATOM 0 HD12 LEU A 71 -13.274 11.560 -1.128 1.00 23.23 H new ATOM 0 HD13 LEU A 71 -12.004 10.900 -0.071 1.00 23.23 H new ATOM 0 HD21 LEU A 71 -9.822 10.825 -2.244 1.00 75.24 H new ATOM 0 HD22 LEU A 71 -10.145 9.482 -1.121 1.00 75.24 H new ATOM 0 HD23 LEU A 71 -10.178 9.200 -2.878 1.00 75.24 H new ATOM 1101 N GLU A 72 -11.695 8.214 -5.145 1.00 13.22 N ATOM 1102 CA GLU A 72 -10.526 7.899 -5.956 1.00 62.35 C ATOM 1103 C GLU A 72 -9.990 9.149 -6.648 1.00 73.04 C ATOM 1104 O GLU A 72 -10.749 10.060 -6.980 1.00 40.33 O ATOM 1105 CB GLU A 72 -10.873 6.834 -7.000 1.00 13.55 C ATOM 1106 CG GLU A 72 -11.624 5.644 -6.427 1.00 72.25 C ATOM 1107 CD GLU A 72 -11.117 4.320 -6.967 1.00 11.42 C ATOM 1108 OE1 GLU A 72 -10.008 3.904 -6.573 1.00 2.44 O ATOM 1109 OE2 GLU A 72 -11.831 3.701 -7.783 1.00 63.24 O ATOM 0 H GLU A 72 -12.401 8.774 -5.622 1.00 13.22 H new ATOM 0 HA GLU A 72 -9.752 7.511 -5.295 1.00 62.35 H new ATOM 0 HB2 GLU A 72 -11.476 7.290 -7.785 1.00 13.55 H new ATOM 0 HB3 GLU A 72 -9.953 6.482 -7.468 1.00 13.55 H new ATOM 0 HG2 GLU A 72 -11.531 5.649 -5.341 1.00 72.25 H new ATOM 0 HG3 GLU A 72 -12.685 5.744 -6.657 1.00 72.25 H new ATOM 1116 N ILE A 73 -8.679 9.184 -6.862 1.00 13.34 N ATOM 1117 CA ILE A 73 -8.042 10.322 -7.514 1.00 34.40 C ATOM 1118 C ILE A 73 -7.611 9.970 -8.934 1.00 2.14 C ATOM 1119 O ILE A 73 -7.003 8.926 -9.167 1.00 22.12 O ATOM 1120 CB ILE A 73 -6.815 10.810 -6.722 1.00 61.23 C ATOM 1121 CG1 ILE A 73 -7.222 11.207 -5.302 1.00 21.23 C ATOM 1122 CG2 ILE A 73 -6.155 11.980 -7.437 1.00 30.25 C ATOM 1123 CD1 ILE A 73 -6.055 11.622 -4.433 1.00 34.54 C ATOM 0 H ILE A 73 -8.037 8.438 -6.594 1.00 13.34 H new ATOM 0 HA ILE A 73 -8.782 11.122 -7.549 1.00 34.40 H new ATOM 0 HB ILE A 73 -6.094 9.995 -6.658 1.00 61.23 H new ATOM 0 HG12 ILE A 73 -7.936 12.029 -5.354 1.00 21.23 H new ATOM 0 HG13 ILE A 73 -7.735 10.368 -4.832 1.00 21.23 H new ATOM 0 HG21 ILE A 73 -5.289 12.314 -6.865 1.00 30.25 H new ATOM 0 HG22 ILE A 73 -5.835 11.666 -8.430 1.00 30.25 H new ATOM 0 HG23 ILE A 73 -6.868 12.800 -7.528 1.00 30.25 H new ATOM 0 HD11 ILE A 73 -6.418 11.890 -3.441 1.00 34.54 H new ATOM 0 HD12 ILE A 73 -5.350 10.795 -4.351 1.00 34.54 H new ATOM 0 HD13 ILE A 73 -5.555 12.481 -4.881 1.00 34.54 H new ATOM 1135 N GLN A 74 -7.928 10.850 -9.878 1.00 11.13 N ATOM 1136 CA GLN A 74 -7.572 10.633 -11.275 1.00 23.22 C ATOM 1137 C GLN A 74 -6.781 11.815 -11.825 1.00 63.11 C ATOM 1138 O GLN A 74 -6.903 12.947 -11.357 1.00 21.03 O ATOM 1139 CB GLN A 74 -8.830 10.410 -12.115 1.00 52.45 C ATOM 1140 CG GLN A 74 -9.835 9.470 -11.470 1.00 21.04 C ATOM 1141 CD GLN A 74 -10.631 8.678 -12.488 1.00 30.21 C ATOM 1142 OE1 GLN A 74 -10.575 7.448 -12.517 1.00 1.15 O ATOM 1143 NE2 GLN A 74 -11.379 9.380 -13.331 1.00 61.11 N ATOM 0 H GLN A 74 -8.431 11.720 -9.701 1.00 11.13 H new ATOM 0 HA GLN A 74 -6.945 9.743 -11.330 1.00 23.22 H new ATOM 0 HB2 GLN A 74 -9.310 11.372 -12.297 1.00 52.45 H new ATOM 0 HB3 GLN A 74 -8.541 10.009 -13.086 1.00 52.45 H new ATOM 0 HG2 GLN A 74 -9.309 8.780 -10.809 1.00 21.04 H new ATOM 0 HG3 GLN A 74 -10.520 10.047 -10.849 1.00 21.04 H new ATOM 0 HE21 GLN A 74 -11.396 10.398 -13.272 1.00 61.11 H new ATOM 0 HE22 GLN A 74 -11.937 8.901 -14.038 1.00 61.11 H new ATOM 1152 N PRO A 75 -5.949 11.549 -12.843 1.00 70.42 N ATOM 1153 CA PRO A 75 -5.122 12.578 -13.479 1.00 64.24 C ATOM 1154 C PRO A 75 -5.950 13.570 -14.288 1.00 15.24 C ATOM 1155 O PRO A 75 -6.687 13.184 -15.195 1.00 44.11 O ATOM 1156 CB PRO A 75 -4.202 11.774 -14.401 1.00 63.44 C ATOM 1157 CG PRO A 75 -4.956 10.522 -14.692 1.00 13.25 C ATOM 1158 CD PRO A 75 -5.753 10.222 -13.452 1.00 2.21 C ATOM 0 HA PRO A 75 -4.590 13.184 -12.745 1.00 64.24 H new ATOM 0 HB2 PRO A 75 -3.980 12.324 -15.316 1.00 63.44 H new ATOM 0 HB3 PRO A 75 -3.248 11.559 -13.919 1.00 63.44 H new ATOM 0 HG2 PRO A 75 -5.610 10.651 -15.555 1.00 13.25 H new ATOM 0 HG3 PRO A 75 -4.277 9.703 -14.927 1.00 13.25 H new ATOM 0 HD2 PRO A 75 -6.704 9.745 -13.691 1.00 2.21 H new ATOM 0 HD3 PRO A 75 -5.217 9.548 -12.783 1.00 2.21 H new ATOM 1166 N MET A 76 -5.825 14.850 -13.952 1.00 52.13 N ATOM 1167 CA MET A 76 -6.562 15.898 -14.649 1.00 74.10 C ATOM 1168 C MET A 76 -6.000 16.119 -16.049 1.00 45.34 C ATOM 1169 O MET A 76 -4.784 16.155 -16.241 1.00 3.21 O ATOM 1170 CB MET A 76 -6.510 17.204 -13.853 1.00 63.53 C ATOM 1171 CG MET A 76 -7.457 18.272 -14.375 1.00 31.31 C ATOM 1172 SD MET A 76 -6.699 19.319 -15.632 1.00 3.04 S ATOM 1173 CE MET A 76 -6.750 20.914 -14.819 1.00 12.31 C ATOM 0 H MET A 76 -5.221 15.186 -13.202 1.00 52.13 H new ATOM 0 HA MET A 76 -7.600 15.578 -14.740 1.00 74.10 H new ATOM 0 HB2 MET A 76 -6.751 16.994 -12.811 1.00 63.53 H new ATOM 0 HB3 MET A 76 -5.492 17.592 -13.873 1.00 63.53 H new ATOM 0 HG2 MET A 76 -8.343 17.794 -14.792 1.00 31.31 H new ATOM 0 HG3 MET A 76 -7.791 18.893 -13.544 1.00 31.31 H new ATOM 0 HE1 MET A 76 -7.605 21.482 -15.186 1.00 12.31 H new ATOM 0 HE2 MET A 76 -6.844 20.771 -13.743 1.00 12.31 H new ATOM 0 HE3 MET A 76 -5.832 21.461 -15.033 1.00 12.31 H new ATOM 1183 N ILE A 77 -6.891 16.267 -17.024 1.00 23.41 N ATOM 1184 CA ILE A 77 -6.482 16.485 -18.406 1.00 3.13 C ATOM 1185 C ILE A 77 -6.737 17.926 -18.833 1.00 43.52 C ATOM 1186 O ILE A 77 -7.765 18.513 -18.495 1.00 2.11 O ATOM 1187 CB ILE A 77 -7.222 15.537 -19.368 1.00 44.54 C ATOM 1188 CG1 ILE A 77 -7.109 14.091 -18.882 1.00 1.20 C ATOM 1189 CG2 ILE A 77 -6.664 15.673 -20.778 1.00 14.15 C ATOM 1190 CD1 ILE A 77 -5.683 13.594 -18.789 1.00 52.31 C ATOM 0 H ILE A 77 -7.901 16.240 -16.882 1.00 23.41 H new ATOM 0 HA ILE A 77 -5.413 16.278 -18.456 1.00 3.13 H new ATOM 0 HB ILE A 77 -8.276 15.812 -19.387 1.00 44.54 H new ATOM 0 HG12 ILE A 77 -7.579 14.008 -17.902 1.00 1.20 H new ATOM 0 HG13 ILE A 77 -7.667 13.444 -19.559 1.00 1.20 H new ATOM 0 HG21 ILE A 77 -7.197 14.997 -21.447 1.00 14.15 H new ATOM 0 HG22 ILE A 77 -6.792 16.699 -21.122 1.00 14.15 H new ATOM 0 HG23 ILE A 77 -5.604 15.420 -20.776 1.00 14.15 H new ATOM 0 HD11 ILE A 77 -5.680 12.562 -18.438 1.00 52.31 H new ATOM 0 HD12 ILE A 77 -5.215 13.644 -19.772 1.00 52.31 H new ATOM 0 HD13 ILE A 77 -5.125 14.217 -18.090 1.00 52.31 H new ATOM 1202 N VAL A 78 -5.794 18.492 -19.581 1.00 31.12 N ATOM 1203 CA VAL A 78 -5.917 19.864 -20.058 1.00 15.12 C ATOM 1204 C VAL A 78 -6.685 19.922 -21.374 1.00 30.53 C ATOM 1205 O VAL A 78 -6.430 19.156 -22.304 1.00 11.12 O ATOM 1206 CB VAL A 78 -4.536 20.517 -20.253 1.00 70.30 C ATOM 1207 CG1 VAL A 78 -4.686 21.952 -20.733 1.00 55.13 C ATOM 1208 CG2 VAL A 78 -3.733 20.459 -18.962 1.00 42.04 C ATOM 0 H VAL A 78 -4.937 18.021 -19.869 1.00 31.12 H new ATOM 0 HA VAL A 78 -6.467 20.416 -19.295 1.00 15.12 H new ATOM 0 HB VAL A 78 -3.994 19.959 -21.017 1.00 70.30 H new ATOM 0 HG11 VAL A 78 -3.700 22.397 -20.865 1.00 55.13 H new ATOM 0 HG12 VAL A 78 -5.219 21.964 -21.683 1.00 55.13 H new ATOM 0 HG13 VAL A 78 -5.247 22.526 -19.995 1.00 55.13 H new ATOM 0 HG21 VAL A 78 -2.760 20.925 -19.118 1.00 42.04 H new ATOM 0 HG22 VAL A 78 -4.269 20.991 -18.176 1.00 42.04 H new ATOM 0 HG23 VAL A 78 -3.594 19.419 -18.666 1.00 42.04 H new ATOM 1218 N PRO A 79 -7.649 20.851 -21.457 1.00 24.14 N ATOM 1219 CA PRO A 79 -8.473 21.032 -22.655 1.00 71.21 C ATOM 1220 C PRO A 79 -7.680 21.609 -23.823 1.00 11.15 C ATOM 1221 O PRO A 79 -6.640 22.239 -23.629 1.00 64.04 O ATOM 1222 CB PRO A 79 -9.550 22.020 -22.199 1.00 64.12 C ATOM 1223 CG PRO A 79 -8.923 22.771 -21.075 1.00 71.33 C ATOM 1224 CD PRO A 79 -8.007 21.797 -20.387 1.00 10.23 C ATOM 0 HA PRO A 79 -8.871 20.086 -23.022 1.00 71.21 H new ATOM 0 HB2 PRO A 79 -9.842 22.689 -23.008 1.00 64.12 H new ATOM 0 HB3 PRO A 79 -10.452 21.501 -21.874 1.00 64.12 H new ATOM 0 HG2 PRO A 79 -8.369 23.634 -21.443 1.00 71.33 H new ATOM 0 HG3 PRO A 79 -9.680 23.148 -20.387 1.00 71.33 H new ATOM 0 HD2 PRO A 79 -7.127 22.293 -19.978 1.00 10.23 H new ATOM 0 HD3 PRO A 79 -8.504 21.295 -19.557 1.00 10.23 H new ATOM 1232 N THR A 80 -8.178 21.391 -25.036 1.00 31.02 N ATOM 1233 CA THR A 80 -7.516 21.889 -26.235 1.00 23.13 C ATOM 1234 C THR A 80 -8.444 22.788 -27.042 1.00 53.35 C ATOM 1235 O THR A 80 -9.476 22.342 -27.546 1.00 11.15 O ATOM 1236 CB THR A 80 -7.032 20.733 -27.130 1.00 60.05 C ATOM 1237 OG1 THR A 80 -6.567 21.246 -28.384 1.00 11.01 O ATOM 1238 CG2 THR A 80 -8.150 19.730 -27.371 1.00 32.04 C ATOM 0 H THR A 80 -9.038 20.872 -25.214 1.00 31.02 H new ATOM 0 HA THR A 80 -6.654 22.467 -25.903 1.00 23.13 H new ATOM 0 HB THR A 80 -6.214 20.226 -26.619 1.00 60.05 H new ATOM 0 HG1 THR A 80 -6.260 20.505 -28.947 1.00 11.01 H new ATOM 0 HG21 THR A 80 -7.784 18.923 -28.006 1.00 32.04 H new ATOM 0 HG22 THR A 80 -8.482 19.320 -26.417 1.00 32.04 H new ATOM 0 HG23 THR A 80 -8.986 20.228 -27.863 1.00 32.04 H new ATOM 1246 N THR A 81 -8.072 24.059 -27.164 1.00 62.25 N ATOM 1247 CA THR A 81 -8.872 25.021 -27.911 1.00 43.42 C ATOM 1248 C THR A 81 -8.700 24.831 -29.414 1.00 1.02 C ATOM 1249 O THR A 81 -7.631 25.095 -29.963 1.00 51.24 O ATOM 1250 CB THR A 81 -8.497 26.469 -27.542 1.00 41.35 C ATOM 1251 OG1 THR A 81 -8.457 26.618 -26.119 1.00 32.42 O ATOM 1252 CG2 THR A 81 -9.496 27.454 -28.132 1.00 65.33 C ATOM 0 H THR A 81 -7.221 24.445 -26.755 1.00 62.25 H new ATOM 0 HA THR A 81 -9.913 24.843 -27.642 1.00 43.42 H new ATOM 0 HB THR A 81 -7.512 26.682 -27.957 1.00 41.35 H new ATOM 0 HG1 THR A 81 -8.216 27.541 -25.893 1.00 32.42 H new ATOM 0 HG21 THR A 81 -9.211 28.470 -27.858 1.00 65.33 H new ATOM 0 HG22 THR A 81 -9.503 27.359 -29.218 1.00 65.33 H new ATOM 0 HG23 THR A 81 -10.491 27.240 -27.743 1.00 65.33 H new ATOM 1260 N GLU A 82 -9.759 24.372 -30.073 1.00 34.25 N ATOM 1261 CA GLU A 82 -9.724 24.146 -31.513 1.00 1.43 C ATOM 1262 C GLU A 82 -9.399 25.438 -32.258 1.00 12.03 C ATOM 1263 O GLU A 82 -8.828 25.411 -33.347 1.00 70.42 O ATOM 1264 CB GLU A 82 -11.064 23.588 -31.997 1.00 43.32 C ATOM 1265 CG GLU A 82 -12.211 24.578 -31.887 1.00 12.15 C ATOM 1266 CD GLU A 82 -13.558 23.896 -31.746 1.00 53.33 C ATOM 1267 OE1 GLU A 82 -13.768 22.857 -32.407 1.00 12.32 O ATOM 1268 OE2 GLU A 82 -14.402 24.401 -30.977 1.00 13.20 O ATOM 0 H GLU A 82 -10.652 24.149 -29.633 1.00 34.25 H new ATOM 0 HA GLU A 82 -8.940 23.419 -31.722 1.00 1.43 H new ATOM 0 HB2 GLU A 82 -10.964 23.275 -33.036 1.00 43.32 H new ATOM 0 HB3 GLU A 82 -11.307 22.697 -31.418 1.00 43.32 H new ATOM 0 HG2 GLU A 82 -12.045 25.227 -31.027 1.00 12.15 H new ATOM 0 HG3 GLU A 82 -12.222 25.216 -32.771 1.00 12.15 H new TER 1275 GLU A 82