USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 4 ASN : amide:sc= -8.47! C(o=-13!,f=-28!) USER MOD Set 1.2: A 60 ASN : amide:sc= -4.32! C(o=-13!,f=-20!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -106:sc= -1.9! (180deg=-4.34!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -7.11! (180deg=-9.32!) USER MOD Single : A 19 ASN : amide:sc= -3.34! C(o=-3.3!,f=-2.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -104:sc= -1.27 (180deg=-4.09!) USER MOD Single : A 24 MET CE :methyl 157:sc= -1.7! (180deg=-3.83!) USER MOD Single : A 26 MET CE :methyl 140:sc= 0 (180deg=-0.393) USER MOD Single : A 29 THR OG1 : rot 68:sc= 1.07 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.593! (180deg=-3.06!) USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= -0.407 (180deg=-1.63) USER MOD Single : A 45 SER OG : rot 101:sc= 0.109 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.26! C(o=-2.3!,f=-2.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0592 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.554 44.642 -25.773 1.00 1.26 N ATOM 2 CA LEU A 1 66.193 45.941 -26.411 1.00 0.65 C ATOM 3 C LEU A 1 64.715 45.934 -26.797 1.00 0.58 C ATOM 4 O LEU A 1 64.020 44.953 -26.619 1.00 0.77 O ATOM 5 CB LEU A 1 67.076 46.021 -27.669 1.00 1.19 C ATOM 6 CG LEU A 1 67.969 47.283 -27.707 1.00 1.07 C ATOM 7 CD1 LEU A 1 68.119 47.926 -26.325 1.00 1.38 C ATOM 8 CD2 LEU A 1 69.352 46.878 -28.215 1.00 1.53 C ATOM 0 H1 LEU A 1 67.561 44.651 -25.512 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.976 44.502 -24.920 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.377 43.866 -26.442 1.00 1.26 H new ATOM 0 HA LEU A 1 66.350 46.792 -25.748 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.708 45.135 -27.718 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.439 46.008 -28.554 1.00 1.19 H new ATOM 0 HG LEU A 1 67.498 48.014 -28.364 1.00 1.07 H new ATOM 0 HD11 LEU A 1 68.754 48.808 -26.401 1.00 1.38 H new ATOM 0 HD12 LEU A 1 67.138 48.217 -25.950 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.572 47.211 -25.638 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.998 47.755 -28.249 1.00 1.53 H new ATOM 0 HD22 LEU A 1 69.783 46.136 -27.543 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.262 46.454 -29.215 1.00 1.53 H new ATOM 22 N LYS A 2 64.228 47.020 -27.320 1.00 0.45 N ATOM 23 CA LYS A 2 62.789 47.070 -27.709 1.00 0.53 C ATOM 24 C LYS A 2 62.644 47.411 -29.195 1.00 0.43 C ATOM 25 O LYS A 2 63.536 47.963 -29.807 1.00 0.59 O ATOM 26 CB LYS A 2 62.175 48.163 -26.835 1.00 0.71 C ATOM 27 CG LYS A 2 61.236 47.522 -25.810 1.00 1.14 C ATOM 28 CD LYS A 2 61.412 48.205 -24.450 1.00 1.23 C ATOM 29 CE LYS A 2 62.747 47.780 -23.830 1.00 1.98 C ATOM 30 NZ LYS A 2 63.707 48.864 -24.183 1.00 2.63 N ATOM 0 H LYS A 2 64.758 47.873 -27.496 1.00 0.45 H new ATOM 0 HA LYS A 2 62.292 46.111 -27.563 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.960 48.722 -26.326 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.627 48.874 -27.453 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.202 47.614 -26.143 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.450 46.457 -25.723 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.383 49.288 -24.569 1.00 1.23 H new ATOM 0 HD3 LYS A 2 60.590 47.936 -23.787 1.00 1.23 H new ATOM 0 HE2 LYS A 2 62.661 47.668 -22.749 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.076 46.819 -24.225 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 64.350 48.529 -24.928 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.183 49.694 -24.526 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 64.259 49.127 -23.342 1.00 2.63 H new ATOM 44 N CYS A 3 61.522 47.078 -29.779 1.00 0.40 N ATOM 45 CA CYS A 3 61.309 47.368 -31.230 1.00 0.40 C ATOM 46 C CYS A 3 59.833 47.691 -31.499 1.00 0.40 C ATOM 47 O CYS A 3 58.945 47.081 -30.939 1.00 0.44 O ATOM 48 CB CYS A 3 61.717 46.083 -31.948 1.00 0.54 C ATOM 49 SG CYS A 3 63.507 45.864 -31.812 1.00 0.68 S ATOM 0 H CYS A 3 60.741 46.616 -29.313 1.00 0.40 H new ATOM 0 HA CYS A 3 61.885 48.229 -31.569 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.200 45.229 -31.510 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.424 46.130 -32.997 1.00 0.54 H new ATOM 54 N ASN A 4 59.562 48.641 -32.355 1.00 0.43 N ATOM 55 CA ASN A 4 58.140 48.993 -32.650 1.00 0.49 C ATOM 56 C ASN A 4 57.304 47.731 -32.843 1.00 0.49 C ATOM 57 O ASN A 4 57.772 46.742 -33.375 1.00 0.55 O ATOM 58 CB ASN A 4 58.177 49.795 -33.952 1.00 0.60 C ATOM 59 CG ASN A 4 59.212 50.910 -33.841 1.00 0.99 C ATOM 60 OD1 ASN A 4 60.390 50.663 -33.956 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.816 52.136 -33.625 1.00 1.09 N ATOM 0 H ASN A 4 60.260 49.187 -32.861 1.00 0.43 H new ATOM 0 HA ASN A 4 57.691 49.557 -31.832 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.423 49.139 -34.787 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.194 50.218 -34.158 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.501 52.888 -33.553 1.00 1.09 H new ATOM 0 HD22 ASN A 4 57.822 52.341 -33.528 1.00 1.09 H new ATOM 68 N LYS A 5 56.066 47.754 -32.434 1.00 0.52 N ATOM 69 CA LYS A 5 55.209 46.569 -32.614 1.00 0.60 C ATOM 70 C LYS A 5 54.368 46.765 -33.883 1.00 0.71 C ATOM 71 O LYS A 5 54.215 47.869 -34.365 1.00 1.48 O ATOM 72 CB LYS A 5 54.355 46.534 -31.338 1.00 0.68 C ATOM 73 CG LYS A 5 52.933 46.086 -31.654 1.00 1.03 C ATOM 74 CD LYS A 5 52.351 45.337 -30.450 1.00 1.48 C ATOM 75 CE LYS A 5 52.046 43.891 -30.841 1.00 1.84 C ATOM 76 NZ LYS A 5 50.559 43.791 -30.808 1.00 2.49 N ATOM 0 H LYS A 5 55.617 48.550 -31.982 1.00 0.52 H new ATOM 0 HA LYS A 5 55.748 45.631 -32.744 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.803 45.854 -30.613 1.00 0.68 H new ATOM 0 HB3 LYS A 5 54.337 47.523 -30.879 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.313 46.950 -31.892 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.931 45.441 -32.532 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.057 45.358 -29.620 1.00 1.48 H new ATOM 0 HD3 LYS A 5 51.442 45.831 -30.107 1.00 1.48 H new ATOM 0 HE2 LYS A 5 52.436 43.659 -31.832 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.505 43.188 -30.145 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 50.270 42.826 -31.066 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 50.217 44.011 -29.851 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 50.151 44.467 -31.485 1.00 2.49 H new ATOM 90 N LEU A 6 53.840 45.703 -34.419 1.00 0.53 N ATOM 91 CA LEU A 6 53.012 45.791 -35.659 1.00 0.57 C ATOM 92 C LEU A 6 52.233 47.110 -35.745 1.00 0.62 C ATOM 93 O LEU A 6 52.011 47.630 -36.821 1.00 0.72 O ATOM 94 CB LEU A 6 52.059 44.615 -35.548 1.00 0.59 C ATOM 95 CG LEU A 6 52.028 43.853 -36.866 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.854 42.873 -36.855 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.867 44.832 -38.033 1.00 0.78 C ATOM 0 H LEU A 6 53.947 44.760 -34.046 1.00 0.53 H new ATOM 0 HA LEU A 6 53.628 45.763 -36.558 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.375 43.953 -34.742 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.059 44.968 -35.297 1.00 0.59 H new ATOM 0 HG LEU A 6 52.963 43.306 -36.988 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.828 42.325 -37.797 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.974 42.171 -36.030 1.00 1.22 H new ATOM 0 HD13 LEU A 6 49.922 43.424 -36.730 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.846 44.279 -38.972 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.935 45.386 -37.917 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.705 45.529 -38.042 1.00 0.78 H new ATOM 109 N VAL A 7 51.812 47.660 -34.639 1.00 0.61 N ATOM 110 CA VAL A 7 51.049 48.943 -34.713 1.00 0.71 C ATOM 111 C VAL A 7 51.927 50.126 -34.292 1.00 0.70 C ATOM 112 O VAL A 7 52.661 50.032 -33.328 1.00 0.62 O ATOM 113 CB VAL A 7 49.892 48.792 -33.735 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.877 49.907 -33.988 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.221 47.435 -33.943 1.00 0.79 C ATOM 0 H VAL A 7 51.959 47.286 -33.701 1.00 0.61 H new ATOM 0 HA VAL A 7 50.709 49.138 -35.730 1.00 0.71 H new ATOM 0 HB VAL A 7 50.264 48.857 -32.712 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.045 49.806 -33.291 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.356 50.875 -33.843 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.505 49.836 -35.010 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.393 47.327 -33.243 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.844 47.368 -34.964 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.947 46.640 -33.771 1.00 0.79 H new ATOM 125 N PRO A 8 51.816 51.217 -35.012 1.00 0.84 N ATOM 126 CA PRO A 8 52.598 52.434 -34.683 1.00 0.91 C ATOM 127 C PRO A 8 52.088 53.050 -33.376 1.00 0.92 C ATOM 128 O PRO A 8 51.722 54.209 -33.328 1.00 1.21 O ATOM 129 CB PRO A 8 52.295 53.357 -35.870 1.00 1.09 C ATOM 130 CG PRO A 8 51.339 52.626 -36.832 1.00 1.12 C ATOM 131 CD PRO A 8 50.922 51.295 -36.190 1.00 0.97 C ATOM 0 HA PRO A 8 53.663 52.249 -34.539 1.00 0.91 H new ATOM 0 HB2 PRO A 8 51.843 54.285 -35.521 1.00 1.09 H new ATOM 0 HB3 PRO A 8 53.217 53.625 -36.385 1.00 1.09 H new ATOM 0 HG2 PRO A 8 50.461 53.241 -37.033 1.00 1.12 H new ATOM 0 HG3 PRO A 8 51.829 52.447 -37.789 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.870 51.294 -35.903 1.00 0.97 H new ATOM 0 HD3 PRO A 8 51.068 50.454 -36.867 1.00 0.97 H new ATOM 139 N LEU A 9 52.054 52.289 -32.316 1.00 0.78 N ATOM 140 CA LEU A 9 51.561 52.835 -31.025 1.00 0.82 C ATOM 141 C LEU A 9 52.346 52.229 -29.860 1.00 0.72 C ATOM 142 O LEU A 9 52.682 52.899 -28.905 1.00 0.84 O ATOM 143 CB LEU A 9 50.090 52.422 -30.950 1.00 0.87 C ATOM 144 CG LEU A 9 49.207 53.669 -30.981 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.739 53.256 -30.859 1.00 1.82 C ATOM 146 CD2 LEU A 9 49.577 54.583 -29.811 1.00 1.60 C ATOM 0 H LEU A 9 52.347 51.312 -32.291 1.00 0.78 H new ATOM 0 HA LEU A 9 51.683 53.916 -30.964 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.842 51.767 -31.786 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.906 51.856 -30.037 1.00 0.87 H new ATOM 0 HG LEU A 9 49.359 54.200 -31.921 1.00 1.12 H new ATOM 0 HD11 LEU A 9 47.108 54.145 -30.881 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.475 52.603 -31.690 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.587 52.726 -29.919 1.00 1.82 H new ATOM 0 HD21 LEU A 9 48.948 55.473 -29.832 1.00 1.60 H new ATOM 0 HD22 LEU A 9 49.423 54.052 -28.872 1.00 1.60 H new ATOM 0 HD23 LEU A 9 50.623 54.876 -29.895 1.00 1.60 H new ATOM 158 N PHE A 10 52.632 50.963 -29.934 1.00 0.57 N ATOM 159 CA PHE A 10 53.391 50.300 -28.837 1.00 0.55 C ATOM 160 C PHE A 10 54.521 49.462 -29.431 1.00 0.49 C ATOM 161 O PHE A 10 54.770 49.503 -30.618 1.00 0.52 O ATOM 162 CB PHE A 10 52.381 49.400 -28.099 1.00 0.62 C ATOM 163 CG PHE A 10 51.159 49.122 -28.957 1.00 0.64 C ATOM 164 CD1 PHE A 10 51.202 48.126 -29.935 1.00 0.77 C ATOM 165 CD2 PHE A 10 49.981 49.850 -28.757 1.00 0.75 C ATOM 166 CE1 PHE A 10 50.070 47.856 -30.710 1.00 0.92 C ATOM 167 CE2 PHE A 10 48.847 49.579 -29.530 1.00 0.89 C ATOM 168 CZ PHE A 10 48.890 48.580 -30.507 1.00 0.94 C ATOM 0 H PHE A 10 52.373 50.354 -30.710 1.00 0.57 H new ATOM 0 HA PHE A 10 53.838 51.024 -28.156 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.860 48.459 -27.828 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.074 49.880 -27.170 1.00 0.62 H new ATOM 0 HD1 PHE A 10 52.111 47.564 -30.093 1.00 0.77 H new ATOM 0 HD2 PHE A 10 49.947 50.623 -28.004 1.00 0.75 H new ATOM 0 HE1 PHE A 10 50.107 47.087 -31.467 1.00 0.92 H new ATOM 0 HE2 PHE A 10 47.939 50.141 -29.372 1.00 0.89 H new ATOM 0 HZ PHE A 10 48.015 48.368 -31.103 1.00 0.94 H new ATOM 178 N TYR A 11 55.212 48.712 -28.619 1.00 0.47 N ATOM 179 CA TYR A 11 56.327 47.879 -29.154 1.00 0.44 C ATOM 180 C TYR A 11 56.500 46.613 -28.321 1.00 0.49 C ATOM 181 O TYR A 11 55.870 46.431 -27.298 1.00 0.62 O ATOM 182 CB TYR A 11 57.580 48.755 -29.033 1.00 0.42 C ATOM 183 CG TYR A 11 57.671 49.320 -27.637 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.838 48.466 -26.538 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.586 50.700 -27.444 1.00 0.70 C ATOM 186 CE1 TYR A 11 57.926 49.000 -25.246 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.675 51.233 -26.154 1.00 0.76 C ATOM 188 CZ TYR A 11 57.842 50.382 -25.054 1.00 0.67 C ATOM 189 OH TYR A 11 57.925 50.906 -23.781 1.00 0.83 O ATOM 0 H TYR A 11 55.055 48.639 -27.614 1.00 0.47 H new ATOM 0 HA TYR A 11 56.136 47.566 -30.181 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.470 48.167 -29.257 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.542 49.565 -29.762 1.00 0.42 H new ATOM 0 HD1 TYR A 11 57.899 47.398 -26.687 1.00 0.69 H new ATOM 0 HD2 TYR A 11 57.451 51.356 -28.291 1.00 0.70 H new ATOM 0 HE1 TYR A 11 58.059 48.344 -24.398 1.00 0.80 H new ATOM 0 HE2 TYR A 11 57.615 52.301 -26.006 1.00 0.76 H new ATOM 0 HH TYR A 11 57.850 51.882 -23.824 1.00 0.83 H new ATOM 199 N LYS A 12 57.375 45.747 -28.744 1.00 0.50 N ATOM 200 CA LYS A 12 57.626 44.501 -27.974 1.00 0.59 C ATOM 201 C LYS A 12 59.092 44.476 -27.541 1.00 0.49 C ATOM 202 O LYS A 12 59.900 45.238 -28.031 1.00 0.49 O ATOM 203 CB LYS A 12 57.322 43.358 -28.939 1.00 0.74 C ATOM 204 CG LYS A 12 55.919 42.818 -28.659 1.00 1.20 C ATOM 205 CD LYS A 12 55.869 41.326 -28.992 1.00 1.50 C ATOM 206 CE LYS A 12 54.465 40.957 -29.477 1.00 1.68 C ATOM 207 NZ LYS A 12 54.083 39.764 -28.672 1.00 2.19 N ATOM 0 H LYS A 12 57.929 45.850 -29.594 1.00 0.50 H new ATOM 0 HA LYS A 12 57.014 44.425 -27.075 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.390 43.709 -29.969 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.059 42.564 -28.823 1.00 0.74 H new ATOM 0 HG2 LYS A 12 55.659 42.976 -27.612 1.00 1.20 H new ATOM 0 HG3 LYS A 12 55.184 43.359 -29.255 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.605 41.089 -29.761 1.00 1.50 H new ATOM 0 HD3 LYS A 12 56.127 40.737 -28.112 1.00 1.50 H new ATOM 0 HE2 LYS A 12 53.765 41.778 -29.323 1.00 1.68 H new ATOM 0 HE3 LYS A 12 54.462 40.732 -30.543 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 53.130 39.450 -28.947 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 54.763 38.997 -28.844 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 54.088 40.011 -27.662 1.00 2.19 H new ATOM 221 N THR A 13 59.443 43.622 -26.625 1.00 0.64 N ATOM 222 CA THR A 13 60.862 43.575 -26.168 1.00 0.62 C ATOM 223 C THR A 13 61.646 42.539 -26.968 1.00 0.66 C ATOM 224 O THR A 13 61.091 41.789 -27.745 1.00 0.75 O ATOM 225 CB THR A 13 60.800 43.166 -24.695 1.00 0.70 C ATOM 226 OG1 THR A 13 59.444 43.057 -24.284 1.00 1.06 O ATOM 227 CG2 THR A 13 61.511 44.215 -23.839 1.00 1.08 C ATOM 0 H THR A 13 58.815 42.957 -26.173 1.00 0.64 H new ATOM 0 HA THR A 13 61.363 44.533 -26.306 1.00 0.62 H new ATOM 0 HB THR A 13 61.293 42.202 -24.570 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.408 42.793 -23.341 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.465 43.921 -22.790 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.553 44.292 -24.149 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.022 45.181 -23.967 1.00 1.08 H new ATOM 235 N CYS A 14 62.934 42.486 -26.779 1.00 0.65 N ATOM 236 CA CYS A 14 63.748 41.489 -27.528 1.00 0.76 C ATOM 237 C CYS A 14 64.783 40.854 -26.589 1.00 0.87 C ATOM 238 O CYS A 14 65.267 41.501 -25.683 1.00 0.99 O ATOM 239 CB CYS A 14 64.445 42.260 -28.663 1.00 0.75 C ATOM 240 SG CYS A 14 63.436 43.672 -29.210 1.00 1.34 S ATOM 0 H CYS A 14 63.457 43.087 -26.142 1.00 0.65 H new ATOM 0 HA CYS A 14 63.131 40.685 -27.929 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.418 42.614 -28.322 1.00 0.75 H new ATOM 0 HB3 CYS A 14 64.626 41.591 -29.504 1.00 0.75 H new ATOM 245 N PRO A 15 65.079 39.602 -26.834 1.00 1.06 N ATOM 246 CA PRO A 15 66.051 38.859 -25.997 1.00 1.31 C ATOM 247 C PRO A 15 67.446 39.484 -26.102 1.00 1.16 C ATOM 248 O PRO A 15 67.696 40.324 -26.937 1.00 1.40 O ATOM 249 CB PRO A 15 66.030 37.465 -26.626 1.00 1.54 C ATOM 250 CG PRO A 15 65.064 37.469 -27.824 1.00 1.54 C ATOM 251 CD PRO A 15 64.456 38.865 -27.960 1.00 1.24 C ATOM 0 HA PRO A 15 65.806 38.861 -24.935 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.032 37.184 -26.951 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.714 36.725 -25.891 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.594 37.197 -28.737 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.278 36.727 -27.678 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.694 39.319 -28.922 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.369 38.843 -27.878 1.00 1.24 H new ATOM 259 N ALA A 16 68.362 39.081 -25.263 1.00 1.32 N ATOM 260 CA ALA A 16 69.737 39.664 -25.331 1.00 1.21 C ATOM 261 C ALA A 16 70.395 39.325 -26.669 1.00 0.92 C ATOM 262 O ALA A 16 69.854 38.590 -27.471 1.00 1.02 O ATOM 263 CB ALA A 16 70.511 39.014 -24.185 1.00 1.58 C ATOM 0 H ALA A 16 68.221 38.378 -24.537 1.00 1.32 H new ATOM 0 HA ALA A 16 69.719 40.751 -25.248 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.532 39.395 -24.173 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.025 39.249 -23.238 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.529 37.933 -24.325 1.00 1.58 H new ATOM 269 N GLY A 17 71.563 39.850 -26.911 1.00 0.84 N ATOM 270 CA GLY A 17 72.259 39.554 -28.194 1.00 0.75 C ATOM 271 C GLY A 17 71.450 40.130 -29.359 1.00 0.63 C ATOM 272 O GLY A 17 71.481 39.620 -30.461 1.00 0.83 O ATOM 0 H GLY A 17 72.066 40.471 -26.277 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.260 39.985 -28.185 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.376 38.477 -28.316 1.00 0.75 H new ATOM 276 N LYS A 18 70.721 41.187 -29.119 1.00 0.60 N ATOM 277 CA LYS A 18 69.902 41.796 -30.207 1.00 0.58 C ATOM 278 C LYS A 18 70.032 43.321 -30.184 1.00 0.59 C ATOM 279 O LYS A 18 70.184 43.922 -29.138 1.00 0.88 O ATOM 280 CB LYS A 18 68.462 41.373 -29.891 1.00 0.71 C ATOM 281 CG LYS A 18 67.871 42.274 -28.787 1.00 1.60 C ATOM 282 CD LYS A 18 67.242 43.545 -29.375 1.00 2.39 C ATOM 283 CE LYS A 18 66.419 43.206 -30.613 1.00 2.98 C ATOM 284 NZ LYS A 18 67.294 43.581 -31.751 1.00 3.59 N ATOM 0 H LYS A 18 70.657 41.656 -28.215 1.00 0.60 H new ATOM 0 HA LYS A 18 70.220 41.471 -31.198 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.850 41.439 -30.791 1.00 0.71 H new ATOM 0 HB3 LYS A 18 68.444 40.332 -29.569 1.00 0.71 H new ATOM 0 HG2 LYS A 18 67.118 41.719 -28.228 1.00 1.60 H new ATOM 0 HG3 LYS A 18 68.655 42.548 -28.081 1.00 1.60 H new ATOM 0 HD2 LYS A 18 66.608 44.024 -28.629 1.00 2.39 H new ATOM 0 HD3 LYS A 18 68.024 44.259 -29.634 1.00 2.39 H new ATOM 0 HE2 LYS A 18 66.162 42.147 -30.642 1.00 2.98 H new ATOM 0 HE3 LYS A 18 65.482 43.762 -30.632 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 66.707 43.822 -32.575 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 67.874 44.403 -31.487 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 67.915 42.781 -31.990 1.00 3.59 H new ATOM 298 N ASN A 19 69.955 43.960 -31.320 1.00 0.40 N ATOM 299 CA ASN A 19 70.053 45.438 -31.343 1.00 0.50 C ATOM 300 C ASN A 19 69.246 46.017 -32.513 1.00 0.47 C ATOM 301 O ASN A 19 69.138 47.218 -32.653 1.00 0.60 O ATOM 302 CB ASN A 19 71.540 45.743 -31.497 1.00 0.65 C ATOM 303 CG ASN A 19 71.980 45.455 -32.927 1.00 1.16 C ATOM 304 OD1 ASN A 19 72.189 44.318 -33.298 1.00 1.93 O ATOM 305 ND2 ASN A 19 72.132 46.449 -33.746 1.00 1.75 N ATOM 0 H ASN A 19 69.828 43.518 -32.230 1.00 0.40 H new ATOM 0 HA ASN A 19 69.644 45.887 -30.438 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.734 46.787 -31.250 1.00 0.65 H new ATOM 0 HB3 ASN A 19 72.119 45.138 -30.800 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.428 46.277 -34.707 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.955 47.402 -33.429 1.00 1.75 H new ATOM 312 N LEU A 20 68.658 45.188 -33.349 1.00 0.40 N ATOM 313 CA LEU A 20 67.858 45.741 -34.460 1.00 0.48 C ATOM 314 C LEU A 20 66.382 45.439 -34.243 1.00 0.38 C ATOM 315 O LEU A 20 65.965 44.913 -33.232 1.00 0.56 O ATOM 316 CB LEU A 20 68.287 45.039 -35.759 1.00 0.64 C ATOM 317 CG LEU A 20 69.777 44.731 -35.787 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.972 43.368 -36.443 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.495 45.783 -36.629 1.00 1.34 C ATOM 0 H LEU A 20 68.704 44.170 -33.301 1.00 0.40 H new ATOM 0 HA LEU A 20 68.014 46.819 -34.513 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.725 44.112 -35.870 1.00 0.64 H new ATOM 0 HB3 LEU A 20 68.033 45.670 -36.611 1.00 0.64 H new ATOM 0 HG LEU A 20 70.178 44.733 -34.773 1.00 0.77 H new ATOM 0 HD11 LEU A 20 71.035 43.127 -36.473 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.444 42.608 -35.867 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.577 43.393 -37.458 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.563 45.565 -36.651 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.101 45.767 -37.645 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.335 46.769 -36.193 1.00 1.34 H new ATOM 331 N CYS A 21 65.609 45.741 -35.228 1.00 0.29 N ATOM 332 CA CYS A 21 64.156 45.468 -35.174 1.00 0.31 C ATOM 333 C CYS A 21 63.717 45.124 -36.588 1.00 0.32 C ATOM 334 O CYS A 21 64.207 45.699 -37.542 1.00 0.49 O ATOM 335 CB CYS A 21 63.531 46.769 -34.687 1.00 0.44 C ATOM 336 SG CYS A 21 64.265 47.224 -33.098 1.00 0.57 S ATOM 0 H CYS A 21 65.927 46.177 -36.093 1.00 0.29 H new ATOM 0 HA CYS A 21 63.869 44.645 -34.519 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.696 47.561 -35.417 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.452 46.651 -34.582 1.00 0.44 H new ATOM 341 N TYR A 22 62.840 44.180 -36.767 1.00 0.30 N ATOM 342 CA TYR A 22 62.474 43.840 -38.163 1.00 0.31 C ATOM 343 C TYR A 22 60.976 43.922 -38.427 1.00 0.31 C ATOM 344 O TYR A 22 60.157 43.491 -37.638 1.00 0.41 O ATOM 345 CB TYR A 22 62.978 42.412 -38.386 1.00 0.36 C ATOM 346 CG TYR A 22 61.973 41.430 -37.835 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.928 41.158 -36.463 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.071 40.816 -38.703 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.971 40.268 -35.962 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.115 39.922 -38.206 1.00 0.63 C ATOM 351 CZ TYR A 22 60.063 39.650 -36.833 1.00 0.55 C ATOM 352 OH TYR A 22 59.116 38.776 -36.338 1.00 0.66 O ATOM 0 H TYR A 22 62.375 43.645 -36.033 1.00 0.30 H new ATOM 0 HA TYR A 22 62.923 44.557 -38.850 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.132 42.232 -39.450 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.942 42.275 -37.896 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.629 41.633 -35.793 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.110 41.030 -39.761 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.932 40.057 -34.903 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.419 39.443 -38.880 1.00 0.63 H new ATOM 0 HH TYR A 22 58.566 38.438 -37.075 1.00 0.66 H new ATOM 362 N LYS A 23 60.631 44.426 -39.576 1.00 0.39 N ATOM 363 CA LYS A 23 59.196 44.489 -39.970 1.00 0.44 C ATOM 364 C LYS A 23 59.045 43.720 -41.286 1.00 0.45 C ATOM 365 O LYS A 23 59.497 44.144 -42.334 1.00 0.54 O ATOM 366 CB LYS A 23 58.836 45.976 -40.114 1.00 0.56 C ATOM 367 CG LYS A 23 59.832 46.686 -41.026 1.00 1.11 C ATOM 368 CD LYS A 23 59.274 48.048 -41.447 1.00 1.49 C ATOM 369 CE LYS A 23 59.731 49.126 -40.459 1.00 1.72 C ATOM 370 NZ LYS A 23 60.798 49.882 -41.176 1.00 2.18 N ATOM 0 H LYS A 23 61.284 44.800 -40.264 1.00 0.39 H new ATOM 0 HA LYS A 23 58.525 44.039 -39.238 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.829 46.074 -40.520 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.831 46.451 -39.133 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.783 46.817 -40.509 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.030 46.076 -41.907 1.00 1.11 H new ATOM 0 HD2 LYS A 23 59.615 48.296 -42.452 1.00 1.49 H new ATOM 0 HD3 LYS A 23 58.185 48.010 -41.480 1.00 1.49 H new ATOM 0 HE2 LYS A 23 58.905 49.780 -40.179 1.00 1.72 H new ATOM 0 HE3 LYS A 23 60.112 48.682 -39.539 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 61.729 49.603 -40.807 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 60.751 49.669 -42.193 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 60.659 50.902 -41.029 1.00 2.18 H new ATOM 384 N MET A 24 58.471 42.555 -41.216 1.00 0.47 N ATOM 385 CA MET A 24 58.335 41.699 -42.429 1.00 0.53 C ATOM 386 C MET A 24 57.006 41.934 -43.155 1.00 0.53 C ATOM 387 O MET A 24 55.941 41.901 -42.560 1.00 0.59 O ATOM 388 CB MET A 24 58.402 40.279 -41.866 1.00 0.63 C ATOM 389 CG MET A 24 57.957 39.266 -42.922 1.00 0.99 C ATOM 390 SD MET A 24 58.911 37.733 -42.743 1.00 1.69 S ATOM 391 CE MET A 24 59.218 37.814 -40.956 1.00 2.37 C ATOM 0 H MET A 24 58.085 42.153 -40.362 1.00 0.47 H new ATOM 0 HA MET A 24 59.104 41.910 -43.172 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.419 40.056 -41.545 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.765 40.200 -40.985 1.00 0.63 H new ATOM 0 HG2 MET A 24 56.893 39.058 -42.814 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.101 39.680 -43.920 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.419 36.812 -40.576 1.00 2.37 H new ATOM 0 HE2 MET A 24 60.078 38.455 -40.763 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.341 38.223 -40.454 1.00 2.37 H new ATOM 401 N PHE A 25 57.070 42.131 -44.449 1.00 0.53 N ATOM 402 CA PHE A 25 55.826 42.327 -45.253 1.00 0.58 C ATOM 403 C PHE A 25 55.968 41.673 -46.615 1.00 0.50 C ATOM 404 O PHE A 25 57.015 41.178 -46.984 1.00 0.49 O ATOM 405 CB PHE A 25 55.635 43.835 -45.493 1.00 0.70 C ATOM 406 CG PHE A 25 56.933 44.603 -45.476 1.00 0.61 C ATOM 407 CD1 PHE A 25 58.097 44.074 -46.038 1.00 0.84 C ATOM 408 CD2 PHE A 25 56.945 45.883 -44.916 1.00 0.78 C ATOM 409 CE1 PHE A 25 59.272 44.832 -46.041 1.00 0.86 C ATOM 410 CE2 PHE A 25 58.116 46.634 -44.910 1.00 0.83 C ATOM 411 CZ PHE A 25 59.281 46.111 -45.476 1.00 0.70 C ATOM 0 H PHE A 25 57.937 42.164 -44.985 1.00 0.53 H new ATOM 0 HA PHE A 25 54.986 41.889 -44.713 1.00 0.58 H new ATOM 0 HB2 PHE A 25 55.143 43.985 -46.454 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.971 44.238 -44.728 1.00 0.70 H new ATOM 0 HD1 PHE A 25 58.090 43.084 -46.469 1.00 0.84 H new ATOM 0 HD2 PHE A 25 56.042 46.291 -44.486 1.00 0.78 H new ATOM 0 HE1 PHE A 25 60.173 44.429 -46.480 1.00 0.86 H new ATOM 0 HE2 PHE A 25 58.124 47.620 -44.469 1.00 0.83 H new ATOM 0 HZ PHE A 25 60.189 46.695 -45.477 1.00 0.70 H new ATOM 421 N MET A 26 54.932 41.739 -47.390 1.00 0.56 N ATOM 422 CA MET A 26 54.999 41.204 -48.763 1.00 0.61 C ATOM 423 C MET A 26 55.460 42.366 -49.636 1.00 0.69 C ATOM 424 O MET A 26 54.834 43.404 -49.649 1.00 1.30 O ATOM 425 CB MET A 26 53.562 40.786 -49.106 1.00 0.72 C ATOM 426 CG MET A 26 53.227 39.468 -48.401 1.00 0.91 C ATOM 427 SD MET A 26 54.248 38.142 -49.083 1.00 1.46 S ATOM 428 CE MET A 26 53.153 37.719 -50.460 1.00 1.96 C ATOM 0 H MET A 26 54.034 42.145 -47.127 1.00 0.56 H new ATOM 0 HA MET A 26 55.673 40.358 -48.897 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.863 41.563 -48.797 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.454 40.671 -50.184 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.403 39.562 -47.329 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.171 39.232 -48.532 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.749 37.512 -51.349 1.00 1.96 H new ATOM 0 HE2 MET A 26 52.568 36.836 -50.202 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.481 38.554 -50.660 1.00 1.96 H new ATOM 438 N VAL A 27 56.566 42.232 -50.325 1.00 0.76 N ATOM 439 CA VAL A 27 57.068 43.377 -51.153 1.00 0.80 C ATOM 440 C VAL A 27 55.895 44.118 -51.823 1.00 0.91 C ATOM 441 O VAL A 27 55.990 45.289 -52.132 1.00 1.08 O ATOM 442 CB VAL A 27 58.025 42.780 -52.196 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.851 43.906 -52.822 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.981 41.790 -51.520 1.00 1.06 C ATOM 0 H VAL A 27 57.140 41.389 -50.352 1.00 0.76 H new ATOM 0 HA VAL A 27 57.586 44.112 -50.538 1.00 0.80 H new ATOM 0 HB VAL A 27 57.444 42.265 -52.961 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.532 43.489 -53.563 1.00 1.11 H new ATOM 0 HG12 VAL A 27 58.185 44.621 -53.304 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.425 44.411 -52.045 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.657 41.370 -52.265 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.560 42.308 -50.755 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.406 40.987 -51.058 1.00 1.06 H new ATOM 454 N ALA A 28 54.784 43.452 -52.031 1.00 0.94 N ATOM 455 CA ALA A 28 53.601 44.126 -52.649 1.00 1.10 C ATOM 456 C ALA A 28 53.013 45.179 -51.686 1.00 1.12 C ATOM 457 O ALA A 28 52.440 46.164 -52.111 1.00 1.33 O ATOM 458 CB ALA A 28 52.595 42.998 -52.887 1.00 1.15 C ATOM 0 H ALA A 28 54.647 42.468 -51.798 1.00 0.94 H new ATOM 0 HA ALA A 28 53.859 44.653 -53.568 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.692 43.406 -53.341 1.00 1.15 H new ATOM 0 HB2 ALA A 28 53.032 42.255 -53.554 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.343 42.528 -51.936 1.00 1.15 H new ATOM 464 N THR A 29 53.156 44.985 -50.395 1.00 1.00 N ATOM 465 CA THR A 29 52.616 45.984 -49.417 1.00 1.09 C ATOM 466 C THR A 29 53.630 46.208 -48.286 1.00 0.90 C ATOM 467 O THR A 29 53.362 45.893 -47.144 1.00 0.93 O ATOM 468 CB THR A 29 51.326 45.379 -48.853 1.00 1.33 C ATOM 469 OG1 THR A 29 51.650 44.427 -47.851 1.00 1.93 O ATOM 470 CG2 THR A 29 50.537 44.699 -49.968 1.00 1.85 C ATOM 0 H THR A 29 53.622 44.180 -49.977 1.00 1.00 H new ATOM 0 HA THR A 29 52.428 46.947 -49.892 1.00 1.09 H new ATOM 0 HB THR A 29 50.717 46.173 -48.420 1.00 1.33 H new ATOM 0 HG1 THR A 29 52.033 44.887 -47.075 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.622 44.272 -49.558 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.284 45.432 -50.734 1.00 1.85 H new ATOM 0 HG23 THR A 29 51.141 43.906 -50.410 1.00 1.85 H new ATOM 478 N PRO A 30 54.771 46.746 -48.646 1.00 0.99 N ATOM 479 CA PRO A 30 55.849 47.016 -47.660 1.00 1.03 C ATOM 480 C PRO A 30 55.450 48.139 -46.693 1.00 0.85 C ATOM 481 O PRO A 30 56.214 48.519 -45.826 1.00 0.90 O ATOM 482 CB PRO A 30 57.002 47.490 -48.547 1.00 1.44 C ATOM 483 CG PRO A 30 56.527 47.506 -50.012 1.00 1.67 C ATOM 484 CD PRO A 30 55.050 47.102 -50.055 1.00 1.36 C ATOM 0 HA PRO A 30 56.083 46.149 -47.042 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.326 48.486 -48.244 1.00 1.44 H new ATOM 0 HB3 PRO A 30 57.861 46.828 -48.436 1.00 1.44 H new ATOM 0 HG2 PRO A 30 56.660 48.499 -50.441 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.124 46.818 -50.610 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.416 47.919 -50.400 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.879 46.261 -50.727 1.00 1.36 H new ATOM 492 N LYS A 31 54.278 48.692 -46.841 1.00 0.96 N ATOM 493 CA LYS A 31 53.869 49.800 -45.932 1.00 1.02 C ATOM 494 C LYS A 31 53.102 49.254 -44.729 1.00 0.94 C ATOM 495 O LYS A 31 52.881 49.946 -43.756 1.00 1.09 O ATOM 496 CB LYS A 31 52.975 50.700 -46.786 1.00 1.39 C ATOM 497 CG LYS A 31 53.847 51.528 -47.734 1.00 1.90 C ATOM 498 CD LYS A 31 52.959 52.215 -48.776 1.00 2.38 C ATOM 499 CE LYS A 31 52.910 53.720 -48.499 1.00 2.81 C ATOM 500 NZ LYS A 31 54.171 54.267 -49.074 1.00 3.08 N ATOM 0 H LYS A 31 53.590 48.427 -47.546 1.00 0.96 H new ATOM 0 HA LYS A 31 54.726 50.341 -45.530 1.00 1.02 H new ATOM 0 HB2 LYS A 31 52.270 50.095 -47.357 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.386 51.358 -46.147 1.00 1.39 H new ATOM 0 HG2 LYS A 31 54.409 52.273 -47.171 1.00 1.90 H new ATOM 0 HG3 LYS A 31 54.576 50.886 -48.228 1.00 1.90 H new ATOM 0 HD2 LYS A 31 53.348 52.032 -49.777 1.00 2.38 H new ATOM 0 HD3 LYS A 31 51.953 51.796 -48.744 1.00 2.38 H new ATOM 0 HE2 LYS A 31 52.036 54.177 -48.963 1.00 2.81 H new ATOM 0 HE3 LYS A 31 52.846 53.921 -47.430 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 54.205 55.295 -48.921 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 54.987 53.820 -48.609 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 54.202 54.068 -50.094 1.00 3.08 H new ATOM 514 N VAL A 32 52.695 48.018 -44.781 1.00 0.83 N ATOM 515 CA VAL A 32 51.946 47.440 -43.630 1.00 0.87 C ATOM 516 C VAL A 32 52.332 45.967 -43.448 1.00 0.69 C ATOM 517 O VAL A 32 51.581 45.082 -43.804 1.00 0.70 O ATOM 518 CB VAL A 32 50.473 47.584 -44.012 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.593 47.223 -42.816 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.202 49.034 -44.420 1.00 1.72 C ATOM 0 H VAL A 32 52.847 47.385 -45.566 1.00 0.83 H new ATOM 0 HA VAL A 32 52.165 47.940 -42.686 1.00 0.87 H new ATOM 0 HB VAL A 32 50.245 46.915 -44.842 1.00 1.10 H new ATOM 0 HG11 VAL A 32 48.544 47.327 -43.092 1.00 1.65 H new ATOM 0 HG12 VAL A 32 49.790 46.193 -42.517 1.00 1.65 H new ATOM 0 HG13 VAL A 32 49.817 47.891 -41.984 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.153 49.145 -44.694 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.431 49.696 -43.585 1.00 1.72 H new ATOM 0 HG23 VAL A 32 50.829 49.295 -45.272 1.00 1.72 H new ATOM 530 N PRO A 33 53.510 45.754 -42.911 1.00 0.67 N ATOM 531 CA PRO A 33 54.016 44.380 -42.697 1.00 0.65 C ATOM 532 C PRO A 33 53.097 43.571 -41.785 1.00 0.67 C ATOM 533 O PRO A 33 52.303 44.099 -41.035 1.00 0.79 O ATOM 534 CB PRO A 33 55.401 44.615 -42.085 1.00 0.82 C ATOM 535 CG PRO A 33 55.633 46.130 -41.958 1.00 0.91 C ATOM 536 CD PRO A 33 54.397 46.867 -42.494 1.00 0.84 C ATOM 0 HA PRO A 33 54.059 43.788 -43.611 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.468 44.139 -41.107 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.172 44.166 -42.711 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.810 46.399 -40.917 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.520 46.424 -42.519 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.933 47.490 -41.729 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.646 47.521 -43.329 1.00 0.84 H new ATOM 544 N VAL A 34 53.212 42.276 -41.878 1.00 0.64 N ATOM 545 CA VAL A 34 52.361 41.374 -41.069 1.00 0.72 C ATOM 546 C VAL A 34 53.039 41.065 -39.739 1.00 0.63 C ATOM 547 O VAL A 34 52.396 40.691 -38.777 1.00 0.79 O ATOM 548 CB VAL A 34 52.265 40.107 -41.908 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.599 40.427 -43.247 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.673 39.581 -42.156 1.00 1.19 C ATOM 0 H VAL A 34 53.873 41.801 -42.493 1.00 0.64 H new ATOM 0 HA VAL A 34 51.387 41.807 -40.840 1.00 0.72 H new ATOM 0 HB VAL A 34 51.671 39.358 -41.384 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.531 39.519 -43.846 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.598 40.821 -43.071 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.192 41.170 -43.780 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.622 38.673 -42.756 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.255 40.334 -42.687 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.152 39.359 -41.202 1.00 1.19 H new ATOM 560 N LYS A 35 54.330 41.218 -39.672 1.00 0.46 N ATOM 561 CA LYS A 35 55.033 40.928 -38.397 1.00 0.45 C ATOM 562 C LYS A 35 55.955 42.081 -38.024 1.00 0.39 C ATOM 563 O LYS A 35 56.653 42.635 -38.849 1.00 0.51 O ATOM 564 CB LYS A 35 55.862 39.673 -38.657 1.00 0.59 C ATOM 565 CG LYS A 35 55.145 38.444 -38.094 1.00 0.90 C ATOM 566 CD LYS A 35 55.065 38.554 -36.568 1.00 1.38 C ATOM 567 CE LYS A 35 53.873 37.746 -36.051 1.00 1.90 C ATOM 568 NZ LYS A 35 52.711 38.195 -36.870 1.00 2.50 N ATOM 0 H LYS A 35 54.925 41.529 -40.440 1.00 0.46 H new ATOM 0 HA LYS A 35 54.327 40.792 -37.577 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.024 39.550 -39.728 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.844 39.774 -38.195 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.143 38.369 -38.517 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.679 37.537 -38.376 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.988 38.186 -36.119 1.00 1.38 H new ATOM 0 HD3 LYS A 35 54.962 39.599 -36.275 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.044 36.676 -36.164 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.702 37.931 -34.991 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 51.853 38.197 -36.283 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 52.889 39.155 -37.227 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 52.580 37.546 -37.672 1.00 2.50 H new ATOM 582 N ARG A 36 55.983 42.418 -36.773 1.00 0.34 N ATOM 583 CA ARG A 36 56.880 43.504 -36.304 1.00 0.33 C ATOM 584 C ARG A 36 57.575 43.027 -35.031 1.00 0.36 C ATOM 585 O ARG A 36 57.010 43.063 -33.956 1.00 0.42 O ATOM 586 CB ARG A 36 55.988 44.715 -36.033 1.00 0.37 C ATOM 587 CG ARG A 36 56.568 45.934 -36.768 1.00 0.54 C ATOM 588 CD ARG A 36 55.455 46.938 -37.089 1.00 0.83 C ATOM 589 NE ARG A 36 56.158 48.169 -37.553 1.00 0.89 N ATOM 590 CZ ARG A 36 55.602 48.952 -38.442 1.00 1.07 C ATOM 591 NH1 ARG A 36 54.813 49.922 -38.063 1.00 1.27 N ATOM 592 NH2 ARG A 36 55.834 48.766 -39.713 1.00 1.76 N ATOM 0 H ARG A 36 55.417 41.983 -36.045 1.00 0.34 H new ATOM 0 HA ARG A 36 57.647 43.767 -37.032 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.971 44.518 -36.373 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.933 44.911 -34.962 1.00 0.37 H new ATOM 0 HG2 ARG A 36 57.331 46.410 -36.152 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.056 45.614 -37.689 1.00 0.54 H new ATOM 0 HD2 ARG A 36 54.787 46.552 -37.859 1.00 0.83 H new ATOM 0 HD3 ARG A 36 54.843 47.142 -36.210 1.00 0.83 H new ATOM 0 HE ARG A 36 57.077 48.402 -37.176 1.00 0.89 H new ATOM 0 HH11 ARG A 36 54.628 50.071 -37.071 1.00 1.27 H new ATOM 0 HH12 ARG A 36 54.382 50.530 -38.759 1.00 1.27 H new ATOM 0 HH21 ARG A 36 56.449 48.010 -40.014 1.00 1.76 H new ATOM 0 HH22 ARG A 36 55.400 49.377 -40.405 1.00 1.76 H new ATOM 606 N GLY A 37 58.782 42.542 -35.143 1.00 0.34 N ATOM 607 CA GLY A 37 59.472 42.026 -33.930 1.00 0.39 C ATOM 608 C GLY A 37 60.886 42.590 -33.819 1.00 0.38 C ATOM 609 O GLY A 37 61.134 43.749 -34.086 1.00 0.44 O ATOM 0 H GLY A 37 59.314 42.482 -36.011 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.900 42.293 -33.041 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.513 40.937 -33.967 1.00 0.39 H new ATOM 613 N CYS A 38 61.811 41.769 -33.402 1.00 0.40 N ATOM 614 CA CYS A 38 63.215 42.230 -33.233 1.00 0.41 C ATOM 615 C CYS A 38 64.169 41.376 -34.065 1.00 0.39 C ATOM 616 O CYS A 38 63.931 40.206 -34.289 1.00 0.42 O ATOM 617 CB CYS A 38 63.507 42.023 -31.748 1.00 0.52 C ATOM 618 SG CYS A 38 62.330 42.962 -30.747 1.00 1.14 S ATOM 0 H CYS A 38 61.650 40.789 -33.169 1.00 0.40 H new ATOM 0 HA CYS A 38 63.347 43.263 -33.555 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.442 40.963 -31.501 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.524 42.342 -31.522 1.00 0.52 H new ATOM 623 N ILE A 39 65.259 41.940 -34.519 1.00 0.38 N ATOM 624 CA ILE A 39 66.214 41.130 -35.316 1.00 0.39 C ATOM 625 C ILE A 39 67.657 41.436 -34.911 1.00 0.43 C ATOM 626 O ILE A 39 67.984 42.524 -34.476 1.00 0.48 O ATOM 627 CB ILE A 39 65.948 41.513 -36.784 1.00 0.38 C ATOM 628 CG1 ILE A 39 65.075 40.420 -37.413 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.269 41.637 -37.568 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.161 40.476 -38.940 1.00 0.42 C ATOM 0 H ILE A 39 65.523 42.914 -34.372 1.00 0.38 H new ATOM 0 HA ILE A 39 66.077 40.061 -35.153 1.00 0.39 H new ATOM 0 HB ILE A 39 65.443 42.478 -36.822 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.399 39.441 -37.061 1.00 0.39 H new ATOM 0 HG13 ILE A 39 64.040 40.547 -37.097 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.055 41.908 -38.602 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.892 42.407 -37.113 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.797 40.683 -37.545 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.535 39.693 -39.369 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.815 41.449 -39.288 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.195 40.326 -39.252 1.00 0.42 H new ATOM 642 N ASP A 40 68.512 40.473 -35.093 1.00 0.48 N ATOM 643 CA ASP A 40 69.961 40.653 -34.786 1.00 0.56 C ATOM 644 C ASP A 40 70.719 40.577 -36.116 1.00 0.58 C ATOM 645 O ASP A 40 71.781 41.142 -36.286 1.00 0.67 O ATOM 646 CB ASP A 40 70.371 39.499 -33.847 1.00 0.67 C ATOM 647 CG ASP A 40 69.249 38.460 -33.723 1.00 1.31 C ATOM 648 OD1 ASP A 40 69.026 37.740 -34.681 1.00 1.94 O ATOM 649 OD2 ASP A 40 68.630 38.408 -32.672 1.00 2.02 O ATOM 0 H ASP A 40 68.266 39.549 -35.449 1.00 0.48 H new ATOM 0 HA ASP A 40 70.180 41.606 -34.303 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.273 39.020 -34.227 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.613 39.897 -32.861 1.00 0.67 H new ATOM 654 N VAL A 41 70.133 39.897 -37.069 1.00 0.56 N ATOM 655 CA VAL A 41 70.730 39.771 -38.427 1.00 0.63 C ATOM 656 C VAL A 41 69.589 39.842 -39.445 1.00 0.58 C ATOM 657 O VAL A 41 68.498 39.375 -39.189 1.00 0.68 O ATOM 658 CB VAL A 41 71.398 38.398 -38.464 1.00 0.76 C ATOM 659 CG1 VAL A 41 72.173 38.248 -39.774 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.362 38.263 -37.282 1.00 1.57 C ATOM 0 H VAL A 41 69.243 39.413 -36.956 1.00 0.56 H new ATOM 0 HA VAL A 41 71.453 40.554 -38.654 1.00 0.63 H new ATOM 0 HB VAL A 41 70.636 37.621 -38.398 1.00 0.76 H new ATOM 0 HG11 VAL A 41 72.651 37.269 -39.804 1.00 1.54 H new ATOM 0 HG12 VAL A 41 71.487 38.342 -40.616 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.934 39.026 -39.838 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.837 37.283 -37.310 1.00 1.57 H new ATOM 0 HG22 VAL A 41 73.125 39.038 -37.345 1.00 1.57 H new ATOM 0 HG23 VAL A 41 71.810 38.372 -36.348 1.00 1.57 H new ATOM 670 N CYS A 42 69.806 40.434 -40.582 1.00 0.72 N ATOM 671 CA CYS A 42 68.698 40.535 -41.576 1.00 0.76 C ATOM 672 C CYS A 42 68.710 39.347 -42.547 1.00 0.76 C ATOM 673 O CYS A 42 69.632 39.198 -43.327 1.00 0.90 O ATOM 674 CB CYS A 42 68.964 41.840 -42.325 1.00 1.00 C ATOM 675 SG CYS A 42 67.393 42.541 -42.896 1.00 1.13 S ATOM 0 H CYS A 42 70.692 40.850 -40.868 1.00 0.72 H new ATOM 0 HA CYS A 42 67.721 40.522 -41.093 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.475 42.548 -41.673 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.622 41.657 -43.174 1.00 1.00 H new ATOM 680 N PRO A 43 67.668 38.547 -42.490 1.00 0.70 N ATOM 681 CA PRO A 43 67.553 37.384 -43.396 1.00 0.80 C ATOM 682 C PRO A 43 67.583 37.856 -44.853 1.00 0.89 C ATOM 683 O PRO A 43 67.668 39.035 -45.126 1.00 0.97 O ATOM 684 CB PRO A 43 66.182 36.808 -43.031 1.00 0.80 C ATOM 685 CG PRO A 43 65.562 37.668 -41.918 1.00 0.72 C ATOM 686 CD PRO A 43 66.562 38.758 -41.527 1.00 0.65 C ATOM 0 HA PRO A 43 68.360 36.658 -43.295 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.532 36.798 -43.906 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.283 35.775 -42.697 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.630 38.116 -42.262 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.319 37.050 -41.054 1.00 0.72 H new ATOM 0 HD2 PRO A 43 66.130 39.755 -41.618 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.897 38.649 -40.496 1.00 0.65 H new ATOM 694 N LYS A 44 67.522 36.950 -45.791 1.00 1.04 N ATOM 695 CA LYS A 44 67.557 37.371 -47.225 1.00 1.19 C ATOM 696 C LYS A 44 66.135 37.529 -47.778 1.00 1.07 C ATOM 697 O LYS A 44 65.366 36.589 -47.810 1.00 1.52 O ATOM 698 CB LYS A 44 68.289 36.251 -47.988 1.00 1.53 C ATOM 699 CG LYS A 44 69.290 35.528 -47.075 1.00 2.08 C ATOM 700 CD LYS A 44 70.509 35.093 -47.895 1.00 2.77 C ATOM 701 CE LYS A 44 70.142 33.887 -48.767 1.00 3.61 C ATOM 702 NZ LYS A 44 69.672 34.462 -50.062 1.00 4.19 N ATOM 0 H LYS A 44 67.450 35.945 -45.631 1.00 1.04 H new ATOM 0 HA LYS A 44 68.061 38.331 -47.335 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.564 35.536 -48.377 1.00 1.53 H new ATOM 0 HB3 LYS A 44 68.812 36.672 -48.846 1.00 1.53 H new ATOM 0 HG2 LYS A 44 69.600 36.187 -46.264 1.00 2.08 H new ATOM 0 HG3 LYS A 44 68.818 34.659 -46.617 1.00 2.08 H new ATOM 0 HD2 LYS A 44 70.850 35.917 -48.522 1.00 2.77 H new ATOM 0 HD3 LYS A 44 71.334 34.836 -47.230 1.00 2.77 H new ATOM 0 HE2 LYS A 44 71.002 33.234 -48.916 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.363 33.286 -48.298 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 69.944 33.830 -50.842 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.637 34.562 -50.042 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 70.107 35.396 -50.206 1.00 4.19 H new ATOM 716 N SER A 45 65.784 38.706 -48.235 1.00 1.01 N ATOM 717 CA SER A 45 64.417 38.899 -48.806 1.00 0.93 C ATOM 718 C SER A 45 64.245 37.961 -50.005 1.00 0.94 C ATOM 719 O SER A 45 65.180 37.308 -50.421 1.00 1.20 O ATOM 720 CB SER A 45 64.365 40.364 -49.242 1.00 1.04 C ATOM 721 OG SER A 45 65.043 41.165 -48.282 1.00 1.64 O ATOM 0 H SER A 45 66.380 39.534 -48.237 1.00 1.01 H new ATOM 0 HA SER A 45 63.621 38.675 -48.096 1.00 0.93 H new ATOM 0 HB2 SER A 45 64.828 40.480 -50.222 1.00 1.04 H new ATOM 0 HB3 SER A 45 63.329 40.690 -49.338 1.00 1.04 H new ATOM 0 HG SER A 45 65.939 41.383 -48.613 1.00 1.64 H new ATOM 727 N SER A 46 63.067 37.871 -50.563 1.00 0.84 N ATOM 728 CA SER A 46 62.877 36.952 -51.723 1.00 1.02 C ATOM 729 C SER A 46 62.233 37.680 -52.906 1.00 1.10 C ATOM 730 O SER A 46 62.408 38.868 -53.089 1.00 1.66 O ATOM 731 CB SER A 46 61.949 35.858 -51.202 1.00 1.08 C ATOM 732 OG SER A 46 62.166 34.664 -51.941 1.00 1.49 O ATOM 0 H SER A 46 62.237 38.387 -50.270 1.00 0.84 H new ATOM 0 HA SER A 46 63.826 36.558 -52.087 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.135 35.682 -50.143 1.00 1.08 H new ATOM 0 HB3 SER A 46 60.910 36.173 -51.295 1.00 1.08 H new ATOM 0 HG SER A 46 61.572 33.960 -51.607 1.00 1.49 H new ATOM 738 N LEU A 47 61.495 36.967 -53.716 1.00 1.13 N ATOM 739 CA LEU A 47 60.844 37.608 -54.897 1.00 1.25 C ATOM 740 C LEU A 47 59.493 38.216 -54.514 1.00 0.98 C ATOM 741 O LEU A 47 58.926 38.993 -55.254 1.00 1.23 O ATOM 742 CB LEU A 47 60.639 36.476 -55.904 1.00 1.60 C ATOM 743 CG LEU A 47 60.439 37.075 -57.297 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.799 37.245 -57.975 1.00 2.75 C ATOM 745 CD2 LEU A 47 59.562 36.141 -58.135 1.00 2.50 C ATOM 0 H LEU A 47 61.315 35.969 -53.611 1.00 1.13 H new ATOM 0 HA LEU A 47 61.453 38.418 -55.298 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.502 35.810 -55.902 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.773 35.877 -55.625 1.00 1.60 H new ATOM 0 HG LEU A 47 59.951 38.046 -57.210 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.660 37.672 -58.968 1.00 2.75 H new ATOM 0 HD12 LEU A 47 62.422 37.911 -57.378 1.00 2.75 H new ATOM 0 HD13 LEU A 47 62.286 36.274 -58.063 1.00 2.75 H new ATOM 0 HD21 LEU A 47 59.420 36.569 -59.128 1.00 2.50 H new ATOM 0 HD22 LEU A 47 60.047 35.169 -58.225 1.00 2.50 H new ATOM 0 HD23 LEU A 47 58.593 36.019 -57.650 1.00 2.50 H new ATOM 757 N LEU A 48 58.964 37.868 -53.373 1.00 0.79 N ATOM 758 CA LEU A 48 57.641 38.434 -52.976 1.00 0.85 C ATOM 759 C LEU A 48 57.599 38.740 -51.476 1.00 0.71 C ATOM 760 O LEU A 48 56.579 39.136 -50.948 1.00 0.92 O ATOM 761 CB LEU A 48 56.614 37.359 -53.340 1.00 1.16 C ATOM 762 CG LEU A 48 57.052 35.998 -52.789 1.00 1.67 C ATOM 763 CD1 LEU A 48 56.491 35.811 -51.379 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.518 34.889 -53.699 1.00 2.47 C ATOM 0 H LEU A 48 59.384 37.223 -52.704 1.00 0.79 H new ATOM 0 HA LEU A 48 57.440 39.377 -53.485 1.00 0.85 H new ATOM 0 HB2 LEU A 48 55.638 37.626 -52.935 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.505 37.303 -54.423 1.00 1.16 H new ATOM 0 HG LEU A 48 58.141 35.953 -52.754 1.00 1.67 H new ATOM 0 HD11 LEU A 48 56.803 34.842 -50.989 1.00 2.36 H new ATOM 0 HD12 LEU A 48 56.867 36.602 -50.730 1.00 2.36 H new ATOM 0 HD13 LEU A 48 55.402 35.855 -51.412 1.00 2.36 H new ATOM 0 HD21 LEU A 48 56.828 33.919 -53.310 1.00 2.47 H new ATOM 0 HD22 LEU A 48 55.430 34.937 -53.731 1.00 2.47 H new ATOM 0 HD23 LEU A 48 56.916 35.021 -54.705 1.00 2.47 H new ATOM 776 N VAL A 49 58.694 38.579 -50.785 1.00 0.54 N ATOM 777 CA VAL A 49 58.700 38.886 -49.324 1.00 0.49 C ATOM 778 C VAL A 49 59.947 39.699 -48.978 1.00 0.42 C ATOM 779 O VAL A 49 60.991 39.537 -49.580 1.00 0.58 O ATOM 780 CB VAL A 49 58.712 37.533 -48.612 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.913 36.714 -49.078 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.806 37.765 -47.103 1.00 1.13 C ATOM 0 H VAL A 49 59.581 38.250 -51.165 1.00 0.54 H new ATOM 0 HA VAL A 49 57.835 39.476 -49.022 1.00 0.49 H new ATOM 0 HB VAL A 49 57.797 36.989 -48.847 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.917 35.751 -48.568 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.849 36.554 -50.154 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.832 37.251 -48.845 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.815 36.805 -46.587 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.723 38.308 -46.875 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.947 38.347 -46.770 1.00 1.13 H new ATOM 792 N LYS A 50 59.845 40.591 -48.035 1.00 0.40 N ATOM 793 CA LYS A 50 61.024 41.431 -47.685 1.00 0.42 C ATOM 794 C LYS A 50 61.112 41.665 -46.167 1.00 0.44 C ATOM 795 O LYS A 50 60.136 41.991 -45.521 1.00 0.55 O ATOM 796 CB LYS A 50 60.759 42.742 -48.428 1.00 0.57 C ATOM 797 CG LYS A 50 62.061 43.521 -48.600 1.00 1.02 C ATOM 798 CD LYS A 50 61.970 44.378 -49.865 1.00 1.41 C ATOM 799 CE LYS A 50 63.143 44.045 -50.791 1.00 1.74 C ATOM 800 NZ LYS A 50 64.009 45.260 -50.784 1.00 2.40 N ATOM 0 H LYS A 50 59.001 40.775 -47.493 1.00 0.40 H new ATOM 0 HA LYS A 50 61.970 40.967 -47.962 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.319 42.534 -49.403 1.00 0.57 H new ATOM 0 HB3 LYS A 50 60.037 43.343 -47.875 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.239 44.153 -47.730 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.904 42.833 -48.672 1.00 1.02 H new ATOM 0 HD2 LYS A 50 61.025 44.193 -50.376 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.988 45.436 -49.603 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.689 43.171 -50.435 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.796 43.816 -51.798 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 64.833 45.102 -51.398 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 63.466 46.075 -51.135 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 64.332 45.451 -49.814 1.00 2.40 H new ATOM 814 N TYR A 51 62.284 41.506 -45.598 1.00 0.44 N ATOM 815 CA TYR A 51 62.450 41.729 -44.123 1.00 0.52 C ATOM 816 C TYR A 51 63.211 43.033 -43.871 1.00 0.45 C ATOM 817 O TYR A 51 64.278 43.240 -44.413 1.00 0.59 O ATOM 818 CB TYR A 51 63.332 40.583 -43.611 1.00 0.73 C ATOM 819 CG TYR A 51 62.674 39.239 -43.787 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.384 38.760 -45.067 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.387 38.453 -42.663 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.804 37.497 -45.227 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.812 37.188 -42.823 1.00 1.19 C ATOM 824 CZ TYR A 51 61.517 36.710 -44.106 1.00 1.05 C ATOM 825 OH TYR A 51 60.951 35.460 -44.266 1.00 1.47 O ATOM 0 H TYR A 51 63.134 41.231 -46.090 1.00 0.44 H new ATOM 0 HA TYR A 51 61.477 41.773 -43.633 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.283 40.593 -44.143 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.555 40.741 -42.556 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.608 39.365 -45.933 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.610 38.824 -41.673 1.00 0.82 H new ATOM 0 HE1 TYR A 51 61.577 37.129 -46.217 1.00 0.76 H new ATOM 0 HE2 TYR A 51 61.595 36.580 -41.957 1.00 1.19 H new ATOM 0 HH TYR A 51 60.818 35.046 -43.388 1.00 1.47 H new ATOM 835 N VAL A 52 62.713 43.903 -43.035 1.00 0.44 N ATOM 836 CA VAL A 52 63.480 45.154 -42.758 1.00 0.49 C ATOM 837 C VAL A 52 64.263 44.979 -41.463 1.00 0.43 C ATOM 838 O VAL A 52 63.787 44.356 -40.542 1.00 0.56 O ATOM 839 CB VAL A 52 62.428 46.230 -42.587 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.091 47.581 -42.317 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.594 46.320 -43.855 1.00 0.82 C ATOM 0 H VAL A 52 61.826 43.807 -42.540 1.00 0.44 H new ATOM 0 HA VAL A 52 64.187 45.401 -43.550 1.00 0.49 H new ATOM 0 HB VAL A 52 61.791 45.975 -41.740 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.323 48.345 -42.196 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.687 47.518 -41.407 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.736 47.844 -43.156 1.00 1.02 H new ATOM 0 HG21 VAL A 52 60.835 47.093 -43.737 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.239 46.570 -44.698 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.110 45.361 -44.041 1.00 0.82 H new ATOM 851 N CYS A 53 65.452 45.516 -41.381 1.00 0.44 N ATOM 852 CA CYS A 53 66.248 45.367 -40.126 1.00 0.47 C ATOM 853 C CYS A 53 67.073 46.630 -39.855 1.00 0.46 C ATOM 854 O CYS A 53 67.924 47.006 -40.634 1.00 0.68 O ATOM 855 CB CYS A 53 67.195 44.187 -40.362 1.00 0.73 C ATOM 856 SG CYS A 53 66.327 42.839 -41.204 1.00 1.39 S ATOM 0 H CYS A 53 65.905 46.048 -42.124 1.00 0.44 H new ATOM 0 HA CYS A 53 65.594 45.206 -39.269 1.00 0.47 H new ATOM 0 HB2 CYS A 53 68.046 44.510 -40.961 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.591 43.834 -39.410 1.00 0.73 H new ATOM 861 N CYS A 54 66.840 47.267 -38.742 1.00 0.39 N ATOM 862 CA CYS A 54 67.626 48.496 -38.392 1.00 0.51 C ATOM 863 C CYS A 54 68.271 48.293 -37.020 1.00 0.48 C ATOM 864 O CYS A 54 67.709 47.640 -36.181 1.00 0.46 O ATOM 865 CB CYS A 54 66.622 49.655 -38.370 1.00 0.68 C ATOM 866 SG CYS A 54 65.041 49.110 -37.666 1.00 1.08 S ATOM 0 H CYS A 54 66.138 46.993 -38.054 1.00 0.39 H new ATOM 0 HA CYS A 54 68.423 48.703 -39.106 1.00 0.51 H new ATOM 0 HB2 CYS A 54 67.023 50.481 -37.783 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.467 50.029 -39.382 1.00 0.68 H new ATOM 871 N ASN A 55 69.444 48.830 -36.790 1.00 0.52 N ATOM 872 CA ASN A 55 70.131 48.622 -35.470 1.00 0.55 C ATOM 873 C ASN A 55 69.740 49.716 -34.470 1.00 0.54 C ATOM 874 O ASN A 55 70.544 50.527 -34.056 1.00 0.61 O ATOM 875 CB ASN A 55 71.629 48.679 -35.812 1.00 0.67 C ATOM 876 CG ASN A 55 72.101 50.132 -35.924 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.841 50.797 -36.907 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.786 50.655 -34.943 1.00 2.32 N ATOM 0 H ASN A 55 69.959 49.404 -37.458 1.00 0.52 H new ATOM 0 HA ASN A 55 69.854 47.681 -34.995 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.203 48.163 -35.043 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.813 48.158 -36.751 1.00 0.67 H new ATOM 0 HD21 ASN A 55 73.103 51.623 -35.002 1.00 2.32 H new ATOM 0 HD22 ASN A 55 73.004 50.096 -34.118 1.00 2.32 H new ATOM 885 N THR A 56 68.506 49.742 -34.076 1.00 0.49 N ATOM 886 CA THR A 56 68.078 50.793 -33.105 1.00 0.50 C ATOM 887 C THR A 56 66.935 50.314 -32.210 1.00 0.48 C ATOM 888 O THR A 56 66.183 49.426 -32.565 1.00 0.57 O ATOM 889 CB THR A 56 67.613 51.970 -33.968 1.00 0.54 C ATOM 890 OG1 THR A 56 67.745 51.637 -35.344 1.00 1.15 O ATOM 891 CG2 THR A 56 68.455 53.208 -33.657 1.00 1.16 C ATOM 0 H THR A 56 67.778 49.094 -34.375 1.00 0.49 H new ATOM 0 HA THR A 56 68.895 51.059 -32.434 1.00 0.50 H new ATOM 0 HB THR A 56 66.567 52.183 -33.746 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.445 52.391 -35.893 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.119 54.041 -34.274 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.344 53.468 -32.604 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.503 52.998 -33.870 1.00 1.16 H new ATOM 899 N ASP A 57 66.767 50.935 -31.072 1.00 0.58 N ATOM 900 CA ASP A 57 65.637 50.558 -30.177 1.00 0.60 C ATOM 901 C ASP A 57 64.386 51.283 -30.674 1.00 0.59 C ATOM 902 O ASP A 57 64.292 52.490 -30.586 1.00 0.72 O ATOM 903 CB ASP A 57 66.035 51.055 -28.786 1.00 0.71 C ATOM 904 CG ASP A 57 65.156 50.378 -27.732 1.00 0.95 C ATOM 905 OD1 ASP A 57 63.947 50.541 -27.805 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.702 49.709 -26.872 1.00 1.47 O ATOM 0 H ASP A 57 67.364 51.686 -30.725 1.00 0.58 H new ATOM 0 HA ASP A 57 65.433 49.487 -30.160 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.085 50.834 -28.596 1.00 0.71 H new ATOM 0 HB3 ASP A 57 65.922 52.138 -28.729 1.00 0.71 H new ATOM 911 N ARG A 58 63.450 50.559 -31.235 1.00 0.56 N ATOM 912 CA ARG A 58 62.210 51.193 -31.792 1.00 0.61 C ATOM 913 C ARG A 58 62.509 51.765 -33.180 1.00 0.60 C ATOM 914 O ARG A 58 62.390 52.952 -33.413 1.00 0.87 O ATOM 915 CB ARG A 58 61.806 52.318 -30.833 1.00 0.73 C ATOM 916 CG ARG A 58 60.319 52.632 -31.022 1.00 0.93 C ATOM 917 CD ARG A 58 59.602 52.512 -29.678 1.00 1.16 C ATOM 918 NE ARG A 58 58.144 52.596 -29.997 1.00 1.10 N ATOM 919 CZ ARG A 58 57.430 53.613 -29.582 1.00 1.34 C ATOM 920 NH1 ARG A 58 57.768 54.261 -28.500 1.00 1.52 N ATOM 921 NH2 ARG A 58 56.365 53.972 -30.243 1.00 1.91 N ATOM 0 H ARG A 58 63.490 49.545 -31.333 1.00 0.56 H new ATOM 0 HA ARG A 58 61.404 50.465 -31.888 1.00 0.61 H new ATOM 0 HB2 ARG A 58 61.999 52.020 -29.802 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.405 53.208 -31.025 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.196 53.638 -31.424 1.00 0.93 H new ATOM 0 HG3 ARG A 58 59.879 51.944 -31.744 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.843 51.569 -29.187 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.902 53.311 -29.000 1.00 1.16 H new ATOM 0 HE ARG A 58 57.702 51.856 -30.542 1.00 1.10 H new ATOM 0 HH11 ARG A 58 58.593 53.976 -27.972 1.00 1.52 H new ATOM 0 HH12 ARG A 58 57.207 55.052 -28.183 1.00 1.52 H new ATOM 0 HH21 ARG A 58 56.089 53.461 -31.082 1.00 1.91 H new ATOM 0 HH22 ARG A 58 55.808 54.764 -29.921 1.00 1.91 H new ATOM 935 N CYS A 59 62.895 50.929 -34.109 1.00 0.44 N ATOM 936 CA CYS A 59 63.198 51.431 -35.480 1.00 0.47 C ATOM 937 C CYS A 59 62.480 50.589 -36.543 1.00 0.60 C ATOM 938 O CYS A 59 62.650 50.799 -37.726 1.00 1.14 O ATOM 939 CB CYS A 59 64.714 51.309 -35.624 1.00 0.42 C ATOM 940 SG CYS A 59 65.180 49.564 -35.703 1.00 0.84 S ATOM 0 H CYS A 59 63.013 49.924 -33.977 1.00 0.44 H new ATOM 0 HA CYS A 59 62.857 52.457 -35.621 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.046 51.825 -36.525 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.209 51.790 -34.780 1.00 0.42 H new ATOM 945 N ASN A 60 61.668 49.647 -36.137 1.00 0.52 N ATOM 946 CA ASN A 60 60.938 48.816 -37.144 1.00 0.55 C ATOM 947 C ASN A 60 59.433 49.083 -37.050 1.00 0.71 C ATOM 948 O ASN A 60 59.069 50.134 -36.551 1.00 1.39 O ATOM 949 CB ASN A 60 61.248 47.358 -36.791 1.00 0.41 C ATOM 950 CG ASN A 60 60.391 46.910 -35.599 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.287 47.613 -34.610 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.764 45.760 -35.654 1.00 0.40 N ATOM 953 OXT ASN A 60 58.673 48.229 -37.477 1.00 1.25 O ATOM 0 H ASN A 60 61.479 49.418 -35.161 1.00 0.52 H new ATOM 0 HA ASN A 60 61.247 49.050 -38.163 1.00 0.55 H new ATOM 0 HB2 ASN A 60 61.052 46.718 -37.651 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.305 47.251 -36.549 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.189 45.454 -34.869 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.851 45.171 -36.482 1.00 0.40 H new TER 960 ASN A 60