USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 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 24 MET CE :methyl -170:sc= -0.444 (180deg=-0.0575) USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 51 TYR OH : rot -136:sc= 0.588 USER MOD Single : A 1 LEU N :NH3+ -147:sc= 0 (180deg=-0.0227) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -4.02! C(o=-4!,f=-4.7!) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= 0.366 (180deg=0.234) 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 91:sc= 0.00361 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -3.95! C(o=-4!,f=-3.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0078) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.125 USER MOD Single : A 46 SER OG : rot 180:sc= -2.68! USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0119) USER MOD Single : A 55 ASN : amide:sc= -2.99! C(o=-3!,f=-2.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.55! USER MOD Single : A 60 ASN : amide:sc= -9.83! C(o=-9.8!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.681 46.047 -24.766 1.00 1.26 N ATOM 2 CA LEU A 1 66.467 46.369 -26.206 1.00 0.65 C ATOM 3 C LEU A 1 65.038 46.013 -26.628 1.00 0.58 C ATOM 4 O LEU A 1 64.606 44.884 -26.507 1.00 0.77 O ATOM 5 CB LEU A 1 67.481 45.508 -26.960 1.00 1.19 C ATOM 6 CG LEU A 1 67.881 46.206 -28.260 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.624 46.622 -29.027 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.714 47.448 -27.940 1.00 1.53 C ATOM 0 H1 LEU A 1 67.344 46.733 -24.352 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.773 46.094 -24.261 1.00 1.26 H new ATOM 0 H3 LEU A 1 67.076 45.089 -24.680 1.00 1.26 H new ATOM 0 HA LEU A 1 66.599 47.431 -26.413 1.00 0.65 H new ATOM 0 HB2 LEU A 1 68.362 45.339 -26.340 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.052 44.530 -27.178 1.00 1.19 H new ATOM 0 HG LEU A 1 68.469 45.521 -28.870 1.00 1.07 H new ATOM 0 HD11 LEU A 1 66.911 47.119 -29.953 1.00 1.38 H new ATOM 0 HD12 LEU A 1 66.030 45.738 -29.259 1.00 1.38 H new ATOM 0 HD13 LEU A 1 66.034 47.305 -28.416 1.00 1.38 H new ATOM 0 HD21 LEU A 1 68.998 47.944 -28.868 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.127 48.132 -27.328 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.612 47.154 -27.396 1.00 1.53 H new ATOM 22 N LYS A 2 64.306 46.972 -27.128 1.00 0.45 N ATOM 23 CA LYS A 2 62.907 46.696 -27.571 1.00 0.53 C ATOM 24 C LYS A 2 62.676 47.303 -28.955 1.00 0.43 C ATOM 25 O LYS A 2 63.395 48.184 -29.383 1.00 0.59 O ATOM 26 CB LYS A 2 61.980 47.347 -26.534 1.00 0.71 C ATOM 27 CG LYS A 2 62.645 48.565 -25.888 1.00 1.14 C ATOM 28 CD LYS A 2 63.453 48.109 -24.671 1.00 1.23 C ATOM 29 CE LYS A 2 64.101 49.314 -23.990 1.00 1.98 C ATOM 30 NZ LYS A 2 64.061 48.988 -22.537 1.00 2.63 N ATOM 0 H LYS A 2 64.616 47.936 -27.249 1.00 0.45 H new ATOM 0 HA LYS A 2 62.713 45.626 -27.642 1.00 0.53 H new ATOM 0 HB2 LYS A 2 61.049 47.649 -27.013 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.722 46.619 -25.765 1.00 0.71 H new ATOM 0 HG2 LYS A 2 63.296 49.063 -26.606 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.889 49.290 -25.587 1.00 1.14 H new ATOM 0 HD2 LYS A 2 62.803 47.590 -23.967 1.00 1.23 H new ATOM 0 HD3 LYS A 2 64.221 47.399 -24.979 1.00 1.23 H new ATOM 0 HE2 LYS A 2 65.124 49.462 -24.335 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.555 50.233 -24.206 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 64.488 49.766 -21.995 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.074 48.858 -22.237 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 64.594 48.112 -22.363 1.00 2.63 H new ATOM 44 N CYS A 3 61.692 46.828 -29.668 1.00 0.40 N ATOM 45 CA CYS A 3 61.439 47.367 -31.034 1.00 0.40 C ATOM 46 C CYS A 3 59.971 47.751 -31.218 1.00 0.40 C ATOM 47 O CYS A 3 59.114 47.348 -30.462 1.00 0.44 O ATOM 48 CB CYS A 3 61.807 46.220 -31.962 1.00 0.54 C ATOM 49 SG CYS A 3 63.609 46.123 -32.093 1.00 0.68 S ATOM 0 H CYS A 3 61.054 46.092 -29.365 1.00 0.40 H new ATOM 0 HA CYS A 3 62.014 48.273 -31.229 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.406 45.282 -31.578 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.366 46.376 -32.946 1.00 0.54 H new ATOM 54 N ASN A 4 59.677 48.521 -32.230 1.00 0.43 N ATOM 55 CA ASN A 4 58.266 48.936 -32.470 1.00 0.49 C ATOM 56 C ASN A 4 57.357 47.712 -32.558 1.00 0.49 C ATOM 57 O ASN A 4 57.748 46.673 -33.050 1.00 0.55 O ATOM 58 CB ASN A 4 58.297 49.659 -33.819 1.00 0.60 C ATOM 59 CG ASN A 4 58.457 51.164 -33.609 1.00 0.99 C ATOM 60 OD1 ASN A 4 57.734 51.762 -32.840 1.00 1.93 O ATOM 61 ND2 ASN A 4 59.387 51.807 -34.265 1.00 1.09 N ATOM 0 H ASN A 4 60.355 48.881 -32.902 1.00 0.43 H new ATOM 0 HA ASN A 4 57.882 49.564 -31.666 1.00 0.49 H new ATOM 0 HB2 ASN A 4 59.120 49.280 -34.424 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.378 49.457 -34.369 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.505 52.811 -34.130 1.00 1.09 H new ATOM 0 HD22 ASN A 4 59.995 51.305 -34.912 1.00 1.09 H new ATOM 68 N LYS A 5 56.134 47.837 -32.123 1.00 0.52 N ATOM 69 CA LYS A 5 55.196 46.694 -32.229 1.00 0.60 C ATOM 70 C LYS A 5 54.443 46.859 -33.538 1.00 0.71 C ATOM 71 O LYS A 5 54.231 47.972 -33.976 1.00 1.48 O ATOM 72 CB LYS A 5 54.230 46.810 -31.054 1.00 0.68 C ATOM 73 CG LYS A 5 54.726 45.949 -29.895 1.00 1.03 C ATOM 74 CD LYS A 5 53.885 44.679 -29.814 1.00 1.48 C ATOM 75 CE LYS A 5 53.260 44.552 -28.422 1.00 1.84 C ATOM 76 NZ LYS A 5 51.907 43.978 -28.663 1.00 2.49 N ATOM 0 H LYS A 5 55.748 48.681 -31.700 1.00 0.52 H new ATOM 0 HA LYS A 5 55.698 45.727 -32.209 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.149 47.850 -30.739 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.233 46.490 -31.357 1.00 0.68 H new ATOM 0 HG2 LYS A 5 55.776 45.695 -30.039 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.658 46.504 -28.959 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.102 44.702 -30.572 1.00 1.48 H new ATOM 0 HD3 LYS A 5 54.506 43.808 -30.024 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.856 43.904 -27.779 1.00 1.84 H new ATOM 0 HE3 LYS A 5 53.196 45.521 -27.927 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.522 43.610 -27.770 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 51.277 44.718 -29.033 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.976 43.205 -29.355 1.00 2.49 H new ATOM 90 N LEU A 6 54.053 45.788 -34.170 1.00 0.53 N ATOM 91 CA LEU A 6 53.326 45.910 -35.469 1.00 0.57 C ATOM 92 C LEU A 6 52.396 47.131 -35.428 1.00 0.62 C ATOM 93 O LEU A 6 52.252 47.857 -36.393 1.00 0.72 O ATOM 94 CB LEU A 6 52.556 44.597 -35.597 1.00 0.59 C ATOM 95 CG LEU A 6 52.405 44.161 -37.064 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.984 43.643 -37.278 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.666 45.319 -38.040 1.00 0.78 C ATOM 0 H LEU A 6 54.205 44.833 -33.846 1.00 0.53 H new ATOM 0 HA LEU A 6 53.983 46.064 -36.325 1.00 0.57 H new ATOM 0 HB2 LEU A 6 53.073 43.817 -35.038 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.569 44.710 -35.148 1.00 0.59 H new ATOM 0 HG LEU A 6 53.143 43.384 -37.263 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.863 43.330 -38.315 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.803 42.794 -36.619 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.270 44.435 -37.052 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.548 44.965 -39.064 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.955 46.123 -37.850 1.00 0.78 H new ATOM 0 HD23 LEU A 6 53.681 45.692 -37.899 1.00 0.78 H new ATOM 109 N VAL A 7 51.797 47.382 -34.297 1.00 0.61 N ATOM 110 CA VAL A 7 50.903 48.574 -34.161 1.00 0.71 C ATOM 111 C VAL A 7 51.726 49.798 -33.712 1.00 0.70 C ATOM 112 O VAL A 7 52.533 49.693 -32.810 1.00 0.62 O ATOM 113 CB VAL A 7 49.894 48.187 -33.077 1.00 0.73 C ATOM 114 CG1 VAL A 7 49.288 49.444 -32.456 1.00 0.93 C ATOM 115 CG2 VAL A 7 48.779 47.338 -33.691 1.00 0.79 C ATOM 0 H VAL A 7 51.887 46.812 -33.456 1.00 0.61 H new ATOM 0 HA VAL A 7 50.415 48.838 -35.099 1.00 0.71 H new ATOM 0 HB VAL A 7 50.407 47.614 -32.304 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.571 49.160 -31.686 1.00 0.93 H new ATOM 0 HG12 VAL A 7 50.079 50.047 -32.011 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.781 50.023 -33.228 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.062 47.064 -32.917 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.273 47.910 -34.469 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.207 46.435 -34.125 1.00 0.79 H new ATOM 125 N PRO A 8 51.499 50.926 -34.348 1.00 0.84 N ATOM 126 CA PRO A 8 52.232 52.170 -33.993 1.00 0.91 C ATOM 127 C PRO A 8 51.778 52.701 -32.624 1.00 0.92 C ATOM 128 O PRO A 8 51.503 53.875 -32.470 1.00 1.21 O ATOM 129 CB PRO A 8 51.805 53.136 -35.102 1.00 1.09 C ATOM 130 CG PRO A 8 50.812 52.413 -36.033 1.00 1.12 C ATOM 131 CD PRO A 8 50.522 51.021 -35.456 1.00 0.97 C ATOM 0 HA PRO A 8 53.310 52.029 -33.920 1.00 0.91 H new ATOM 0 HB2 PRO A 8 51.341 54.024 -34.672 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.675 53.472 -35.666 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.889 52.986 -36.119 1.00 1.12 H new ATOM 0 HG3 PRO A 8 51.229 52.327 -37.036 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.495 50.934 -35.101 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.670 50.235 -36.197 1.00 0.97 H new ATOM 139 N LEU A 9 51.707 51.857 -31.628 1.00 0.78 N ATOM 140 CA LEU A 9 51.283 52.320 -30.281 1.00 0.82 C ATOM 141 C LEU A 9 52.189 51.708 -29.220 1.00 0.72 C ATOM 142 O LEU A 9 52.652 52.378 -28.318 1.00 0.84 O ATOM 143 CB LEU A 9 49.844 51.830 -30.095 1.00 0.87 C ATOM 144 CG LEU A 9 48.941 53.019 -29.770 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.592 52.516 -29.247 1.00 1.82 C ATOM 146 CD2 LEU A 9 49.614 53.883 -28.700 1.00 1.60 C ATOM 0 H LEU A 9 51.926 50.863 -31.694 1.00 0.78 H new ATOM 0 HA LEU A 9 51.346 53.404 -30.188 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.497 51.333 -31.001 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.799 51.095 -29.291 1.00 0.87 H new ATOM 0 HG LEU A 9 48.778 53.610 -30.671 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.951 53.367 -29.016 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.115 51.898 -30.007 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.749 51.925 -28.345 1.00 1.82 H new ATOM 0 HD21 LEU A 9 48.974 54.733 -28.464 1.00 1.60 H new ATOM 0 HD22 LEU A 9 49.775 53.289 -27.800 1.00 1.60 H new ATOM 0 HD23 LEU A 9 50.573 54.243 -29.073 1.00 1.60 H new ATOM 158 N PHE A 10 52.453 50.439 -29.326 1.00 0.57 N ATOM 159 CA PHE A 10 53.340 49.785 -28.329 1.00 0.55 C ATOM 160 C PHE A 10 54.588 49.270 -29.030 1.00 0.49 C ATOM 161 O PHE A 10 54.836 49.574 -30.181 1.00 0.52 O ATOM 162 CB PHE A 10 52.546 48.612 -27.722 1.00 0.62 C ATOM 163 CG PHE A 10 51.350 48.247 -28.581 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.177 49.004 -28.493 1.00 0.77 C ATOM 165 CD2 PHE A 10 51.404 47.144 -29.446 1.00 0.75 C ATOM 166 CE1 PHE A 10 49.063 48.666 -29.265 1.00 0.92 C ATOM 167 CE2 PHE A 10 50.286 46.804 -30.212 1.00 0.89 C ATOM 168 CZ PHE A 10 49.115 47.566 -30.124 1.00 0.94 C ATOM 0 H PHE A 10 52.094 49.827 -30.058 1.00 0.57 H new ATOM 0 HA PHE A 10 53.648 50.482 -27.550 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.198 47.745 -27.617 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.208 48.879 -26.721 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.133 49.852 -27.826 1.00 0.77 H new ATOM 0 HD2 PHE A 10 52.308 46.558 -29.520 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.161 49.256 -29.198 1.00 0.92 H new ATOM 0 HE2 PHE A 10 50.325 45.951 -30.874 1.00 0.89 H new ATOM 0 HZ PHE A 10 48.253 47.304 -30.719 1.00 0.94 H new ATOM 178 N TYR A 11 55.384 48.504 -28.348 1.00 0.47 N ATOM 179 CA TYR A 11 56.609 47.963 -28.983 1.00 0.44 C ATOM 180 C TYR A 11 56.969 46.611 -28.370 1.00 0.49 C ATOM 181 O TYR A 11 56.561 46.292 -27.272 1.00 0.62 O ATOM 182 CB TYR A 11 57.674 49.011 -28.730 1.00 0.42 C ATOM 183 CG TYR A 11 57.687 49.370 -27.273 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.715 50.227 -26.748 1.00 0.69 C ATOM 185 CD2 TYR A 11 58.683 48.850 -26.451 1.00 0.70 C ATOM 186 CE1 TYR A 11 56.745 50.560 -25.390 1.00 0.80 C ATOM 187 CE2 TYR A 11 58.719 49.182 -25.097 1.00 0.76 C ATOM 188 CZ TYR A 11 57.749 50.038 -24.563 1.00 0.67 C ATOM 189 OH TYR A 11 57.784 50.370 -23.225 1.00 0.83 O ATOM 0 H TYR A 11 55.239 48.229 -27.377 1.00 0.47 H new ATOM 0 HA TYR A 11 56.489 47.779 -30.051 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.651 48.632 -29.031 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.477 49.898 -29.332 1.00 0.42 H new ATOM 0 HD1 TYR A 11 55.944 50.630 -27.388 1.00 0.69 H new ATOM 0 HD2 TYR A 11 59.430 48.188 -26.863 1.00 0.70 H new ATOM 0 HE1 TYR A 11 55.995 51.219 -24.979 1.00 0.80 H new ATOM 0 HE2 TYR A 11 59.494 48.779 -24.462 1.00 0.76 H new ATOM 0 HH TYR A 11 58.543 49.922 -22.796 1.00 0.83 H new ATOM 199 N LYS A 12 57.720 45.806 -29.070 1.00 0.50 N ATOM 200 CA LYS A 12 58.083 44.475 -28.509 1.00 0.59 C ATOM 201 C LYS A 12 59.478 44.522 -27.895 1.00 0.49 C ATOM 202 O LYS A 12 60.220 45.464 -28.082 1.00 0.49 O ATOM 203 CB LYS A 12 58.052 43.503 -29.688 1.00 0.74 C ATOM 204 CG LYS A 12 58.421 42.102 -29.195 1.00 1.20 C ATOM 205 CD LYS A 12 57.428 41.656 -28.118 1.00 1.50 C ATOM 206 CE LYS A 12 57.872 40.311 -27.545 1.00 1.68 C ATOM 207 NZ LYS A 12 57.075 39.301 -28.293 1.00 2.19 N ATOM 0 H LYS A 12 58.095 46.009 -29.997 1.00 0.50 H new ATOM 0 HA LYS A 12 57.395 44.170 -27.721 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.060 43.493 -30.140 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.751 43.826 -30.459 1.00 0.74 H new ATOM 0 HG2 LYS A 12 58.410 41.398 -30.027 1.00 1.20 H new ATOM 0 HG3 LYS A 12 59.434 42.103 -28.792 1.00 1.20 H new ATOM 0 HD2 LYS A 12 57.375 42.402 -27.325 1.00 1.50 H new ATOM 0 HD3 LYS A 12 56.428 41.571 -28.543 1.00 1.50 H new ATOM 0 HE2 LYS A 12 58.942 40.154 -27.685 1.00 1.68 H new ATOM 0 HE3 LYS A 12 57.679 40.254 -26.474 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 57.321 38.348 -27.958 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 56.061 39.472 -28.135 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 57.285 39.376 -29.309 1.00 2.19 H new ATOM 221 N THR A 13 59.840 43.512 -27.159 1.00 0.64 N ATOM 222 CA THR A 13 61.187 43.499 -26.527 1.00 0.62 C ATOM 223 C THR A 13 62.124 42.555 -27.281 1.00 0.66 C ATOM 224 O THR A 13 61.694 41.692 -28.021 1.00 0.75 O ATOM 225 CB THR A 13 60.959 42.990 -25.103 1.00 0.70 C ATOM 226 OG1 THR A 13 59.572 43.021 -24.805 1.00 1.06 O ATOM 227 CG2 THR A 13 61.716 43.878 -24.115 1.00 1.08 C ATOM 0 H THR A 13 59.262 42.694 -26.967 1.00 0.64 H new ATOM 0 HA THR A 13 61.650 44.486 -26.541 1.00 0.62 H new ATOM 0 HB THR A 13 61.324 41.966 -25.021 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.167 42.162 -25.045 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.553 43.515 -23.100 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.781 43.850 -24.344 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.354 44.903 -24.196 1.00 1.08 H new ATOM 235 N CYS A 14 63.401 42.711 -27.091 1.00 0.65 N ATOM 236 CA CYS A 14 64.374 41.823 -27.785 1.00 0.76 C ATOM 237 C CYS A 14 65.404 41.323 -26.770 1.00 0.87 C ATOM 238 O CYS A 14 65.783 42.048 -25.872 1.00 0.99 O ATOM 239 CB CYS A 14 65.063 42.688 -28.857 1.00 0.75 C ATOM 240 SG CYS A 14 63.957 44.000 -29.465 1.00 1.34 S ATOM 0 H CYS A 14 63.816 43.417 -26.483 1.00 0.65 H new ATOM 0 HA CYS A 14 63.888 40.958 -28.236 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.966 43.135 -28.441 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.374 42.058 -29.690 1.00 0.75 H new ATOM 245 N PRO A 15 65.823 40.096 -26.937 1.00 1.06 N ATOM 246 CA PRO A 15 66.813 39.503 -26.014 1.00 1.31 C ATOM 247 C PRO A 15 68.133 40.271 -26.082 1.00 1.16 C ATOM 248 O PRO A 15 68.342 41.092 -26.952 1.00 1.40 O ATOM 249 CB PRO A 15 66.982 38.089 -26.566 1.00 1.54 C ATOM 250 CG PRO A 15 66.091 37.928 -27.809 1.00 1.54 C ATOM 251 CD PRO A 15 65.336 39.240 -28.044 1.00 1.24 C ATOM 0 HA PRO A 15 66.504 39.525 -24.969 1.00 1.31 H new ATOM 0 HB2 PRO A 15 68.025 37.908 -26.824 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.709 37.354 -25.809 1.00 1.54 H new ATOM 0 HG2 PRO A 15 66.698 37.680 -28.680 1.00 1.54 H new ATOM 0 HG3 PRO A 15 65.388 37.107 -27.666 1.00 1.54 H new ATOM 0 HD2 PRO A 15 65.564 39.670 -29.019 1.00 1.24 H new ATOM 0 HD3 PRO A 15 64.256 39.099 -28.003 1.00 1.24 H new ATOM 259 N ALA A 16 69.027 40.005 -25.174 1.00 1.32 N ATOM 260 CA ALA A 16 70.337 40.710 -25.191 1.00 1.21 C ATOM 261 C ALA A 16 71.093 40.382 -26.482 1.00 0.92 C ATOM 262 O ALA A 16 71.238 39.234 -26.855 1.00 1.02 O ATOM 263 CB ALA A 16 71.084 40.172 -23.971 1.00 1.58 C ATOM 0 H ALA A 16 68.907 39.329 -24.420 1.00 1.32 H new ATOM 0 HA ALA A 16 70.231 41.794 -25.156 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.065 40.643 -23.909 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.516 40.396 -23.068 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.204 39.093 -24.065 1.00 1.58 H new ATOM 269 N GLY A 17 71.572 41.385 -27.168 1.00 0.84 N ATOM 270 CA GLY A 17 72.321 41.141 -28.435 1.00 0.75 C ATOM 271 C GLY A 17 71.413 41.418 -29.641 1.00 0.63 C ATOM 272 O GLY A 17 71.881 41.653 -30.737 1.00 0.83 O ATOM 0 H GLY A 17 71.477 42.366 -26.905 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.201 41.783 -28.477 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.676 40.111 -28.465 1.00 0.75 H new ATOM 276 N LYS A 18 70.122 41.381 -29.451 1.00 0.60 N ATOM 277 CA LYS A 18 69.183 41.633 -30.587 1.00 0.58 C ATOM 278 C LYS A 18 68.707 43.101 -30.567 1.00 0.59 C ATOM 279 O LYS A 18 67.768 43.452 -29.879 1.00 0.88 O ATOM 280 CB LYS A 18 68.026 40.646 -30.333 1.00 0.71 C ATOM 281 CG LYS A 18 67.165 40.471 -31.584 1.00 1.60 C ATOM 282 CD LYS A 18 67.221 39.003 -32.037 1.00 2.39 C ATOM 283 CE LYS A 18 65.891 38.304 -31.734 1.00 2.98 C ATOM 284 NZ LYS A 18 66.258 36.880 -31.482 1.00 3.59 N ATOM 0 H LYS A 18 69.674 41.187 -28.556 1.00 0.60 H new ATOM 0 HA LYS A 18 69.634 41.484 -31.568 1.00 0.58 H new ATOM 0 HB2 LYS A 18 68.429 39.680 -30.027 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.409 41.009 -29.511 1.00 0.71 H new ATOM 0 HG2 LYS A 18 66.135 40.760 -31.374 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.523 41.123 -32.380 1.00 1.60 H new ATOM 0 HD2 LYS A 18 67.432 38.952 -33.105 1.00 2.39 H new ATOM 0 HD3 LYS A 18 68.035 38.488 -31.527 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.401 38.746 -30.866 1.00 2.98 H new ATOM 0 HE3 LYS A 18 65.198 38.392 -32.571 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.400 36.333 -31.267 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 66.717 36.485 -32.327 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.913 36.828 -30.676 1.00 3.59 H new ATOM 298 N ASN A 19 69.347 43.958 -31.334 1.00 0.40 N ATOM 299 CA ASN A 19 68.939 45.398 -31.385 1.00 0.50 C ATOM 300 C ASN A 19 68.389 45.713 -32.772 1.00 0.47 C ATOM 301 O ASN A 19 68.122 46.849 -33.111 1.00 0.60 O ATOM 302 CB ASN A 19 70.215 46.208 -31.118 1.00 0.65 C ATOM 303 CG ASN A 19 71.347 45.714 -32.023 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.671 46.346 -33.009 1.00 1.93 O ATOM 305 ND2 ASN A 19 71.970 44.605 -31.730 1.00 1.75 N ATOM 0 H ASN A 19 70.139 43.717 -31.930 1.00 0.40 H new ATOM 0 HA ASN A 19 68.165 45.635 -30.655 1.00 0.50 H new ATOM 0 HB2 ASN A 19 70.029 47.266 -31.300 1.00 0.65 H new ATOM 0 HB3 ASN A 19 70.506 46.110 -30.072 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.726 44.272 -32.328 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.701 44.072 -30.903 1.00 1.75 H new ATOM 312 N LEU A 20 68.215 44.702 -33.570 1.00 0.40 N ATOM 313 CA LEU A 20 67.676 44.899 -34.934 1.00 0.48 C ATOM 314 C LEU A 20 66.151 44.769 -34.900 1.00 0.38 C ATOM 315 O LEU A 20 65.628 43.732 -34.568 1.00 0.56 O ATOM 316 CB LEU A 20 68.275 43.758 -35.761 1.00 0.64 C ATOM 317 CG LEU A 20 68.983 44.313 -36.996 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.086 45.286 -36.577 1.00 1.13 C ATOM 319 CD2 LEU A 20 69.612 43.165 -37.790 1.00 1.34 C ATOM 0 H LEU A 20 68.427 43.734 -33.329 1.00 0.40 H new ATOM 0 HA LEU A 20 67.921 45.879 -35.345 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.980 43.191 -35.153 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.488 43.067 -36.064 1.00 0.64 H new ATOM 0 HG LEU A 20 68.251 44.835 -37.613 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.584 45.676 -37.465 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.649 46.111 -36.015 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.812 44.766 -35.952 1.00 1.13 H new ATOM 0 HD21 LEU A 20 70.116 43.565 -38.670 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.335 42.643 -37.164 1.00 1.34 H new ATOM 0 HD23 LEU A 20 68.833 42.469 -38.103 1.00 1.34 H new ATOM 331 N CYS A 21 65.421 45.790 -35.243 1.00 0.29 N ATOM 332 CA CYS A 21 63.936 45.643 -35.226 1.00 0.31 C ATOM 333 C CYS A 21 63.493 45.147 -36.588 1.00 0.32 C ATOM 334 O CYS A 21 63.702 45.800 -37.593 1.00 0.49 O ATOM 335 CB CYS A 21 63.380 47.031 -34.934 1.00 0.44 C ATOM 336 SG CYS A 21 64.086 47.605 -33.377 1.00 0.57 S ATOM 0 H CYS A 21 65.775 46.703 -35.529 1.00 0.29 H new ATOM 0 HA CYS A 21 63.584 44.932 -34.478 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.631 47.719 -35.742 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.292 46.999 -34.869 1.00 0.44 H new ATOM 341 N TYR A 22 62.937 43.970 -36.649 1.00 0.30 N ATOM 342 CA TYR A 22 62.553 43.432 -37.976 1.00 0.31 C ATOM 343 C TYR A 22 61.076 43.676 -38.309 1.00 0.31 C ATOM 344 O TYR A 22 60.215 43.697 -37.450 1.00 0.41 O ATOM 345 CB TYR A 22 62.872 41.940 -37.917 1.00 0.36 C ATOM 346 CG TYR A 22 61.682 41.161 -37.433 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.508 40.929 -36.067 1.00 0.47 C ATOM 348 CD2 TYR A 22 60.758 40.674 -38.357 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.400 40.202 -35.621 1.00 0.52 C ATOM 350 CE2 TYR A 22 59.648 39.947 -37.916 1.00 0.63 C ATOM 351 CZ TYR A 22 59.468 39.710 -36.546 1.00 0.55 C ATOM 352 OH TYR A 22 58.375 38.991 -36.108 1.00 0.66 O ATOM 0 H TYR A 22 62.736 43.368 -35.850 1.00 0.30 H new ATOM 0 HA TYR A 22 63.102 43.937 -38.771 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.167 41.587 -38.905 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.719 41.770 -37.252 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.227 41.310 -35.357 1.00 0.47 H new ATOM 0 HD2 TYR A 22 60.900 40.858 -39.412 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.262 40.020 -34.565 1.00 0.52 H new ATOM 0 HE2 TYR A 22 58.931 39.569 -38.629 1.00 0.63 H new ATOM 0 HH TYR A 22 57.829 38.725 -36.877 1.00 0.66 H new ATOM 362 N LYS A 23 60.798 43.830 -39.573 1.00 0.39 N ATOM 363 CA LYS A 23 59.400 44.042 -40.044 1.00 0.44 C ATOM 364 C LYS A 23 59.195 43.170 -41.296 1.00 0.45 C ATOM 365 O LYS A 23 59.860 43.348 -42.296 1.00 0.54 O ATOM 366 CB LYS A 23 59.321 45.536 -40.367 1.00 0.56 C ATOM 367 CG LYS A 23 57.923 45.892 -40.868 1.00 1.11 C ATOM 368 CD LYS A 23 57.539 47.279 -40.344 1.00 1.49 C ATOM 369 CE LYS A 23 58.637 48.289 -40.685 1.00 1.72 C ATOM 370 NZ LYS A 23 58.197 48.908 -41.966 1.00 2.18 N ATOM 0 H LYS A 23 61.497 43.818 -40.316 1.00 0.39 H new ATOM 0 HA LYS A 23 58.631 43.769 -39.321 1.00 0.44 H new ATOM 0 HB2 LYS A 23 59.557 46.121 -39.478 1.00 0.56 H new ATOM 0 HB3 LYS A 23 60.063 45.792 -41.123 1.00 0.56 H new ATOM 0 HG2 LYS A 23 57.901 45.883 -41.958 1.00 1.11 H new ATOM 0 HG3 LYS A 23 57.202 45.149 -40.528 1.00 1.11 H new ATOM 0 HD2 LYS A 23 56.593 47.595 -40.785 1.00 1.49 H new ATOM 0 HD3 LYS A 23 57.391 47.241 -39.265 1.00 1.49 H new ATOM 0 HE2 LYS A 23 58.744 49.037 -39.900 1.00 1.72 H new ATOM 0 HE3 LYS A 23 59.605 47.800 -40.794 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 58.898 49.614 -42.269 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 58.110 48.172 -42.695 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 57.276 49.371 -41.829 1.00 2.18 H new ATOM 384 N MET A 24 58.331 42.188 -41.223 1.00 0.47 N ATOM 385 CA MET A 24 58.144 41.257 -42.385 1.00 0.53 C ATOM 386 C MET A 24 56.892 41.572 -43.220 1.00 0.53 C ATOM 387 O MET A 24 55.784 41.561 -42.718 1.00 0.59 O ATOM 388 CB MET A 24 58.008 39.878 -41.718 1.00 0.63 C ATOM 389 CG MET A 24 57.122 38.947 -42.556 1.00 0.99 C ATOM 390 SD MET A 24 57.763 37.258 -42.471 1.00 1.69 S ATOM 391 CE MET A 24 57.490 36.837 -44.209 1.00 2.37 C ATOM 0 H MET A 24 57.746 41.989 -40.411 1.00 0.47 H new ATOM 0 HA MET A 24 58.971 41.333 -43.091 1.00 0.53 H new ATOM 0 HB2 MET A 24 58.995 39.432 -41.593 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.581 39.992 -40.722 1.00 0.63 H new ATOM 0 HG2 MET A 24 56.096 38.976 -42.188 1.00 0.99 H new ATOM 0 HG3 MET A 24 57.099 39.286 -43.592 1.00 0.99 H new ATOM 0 HE1 MET A 24 57.651 35.769 -44.354 1.00 2.37 H new ATOM 0 HE2 MET A 24 56.468 37.091 -44.489 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.187 37.397 -44.833 1.00 2.37 H new ATOM 401 N PHE A 25 57.064 41.795 -44.506 1.00 0.53 N ATOM 402 CA PHE A 25 55.882 42.040 -45.384 1.00 0.58 C ATOM 403 C PHE A 25 56.133 41.566 -46.821 1.00 0.50 C ATOM 404 O PHE A 25 57.234 41.203 -47.186 1.00 0.49 O ATOM 405 CB PHE A 25 55.613 43.536 -45.331 1.00 0.70 C ATOM 406 CG PHE A 25 56.865 44.349 -45.506 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.754 44.477 -44.437 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.117 45.008 -46.714 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.904 45.258 -44.572 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.263 45.794 -46.850 1.00 0.86 C ATOM 411 CZ PHE A 25 59.158 45.918 -45.782 1.00 0.70 C ATOM 0 H PHE A 25 57.968 41.817 -44.978 1.00 0.53 H new ATOM 0 HA PHE A 25 55.018 41.474 -45.036 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.898 43.802 -46.110 1.00 0.70 H new ATOM 0 HB3 PHE A 25 55.151 43.786 -44.376 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.552 43.971 -43.504 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.427 44.909 -47.539 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.595 45.353 -43.747 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.459 46.307 -47.780 1.00 0.86 H new ATOM 0 HZ PHE A 25 60.046 46.523 -45.890 1.00 0.70 H new ATOM 421 N MET A 26 55.106 41.573 -47.638 1.00 0.56 N ATOM 422 CA MET A 26 55.261 41.137 -49.058 1.00 0.61 C ATOM 423 C MET A 26 55.629 42.353 -49.913 1.00 0.69 C ATOM 424 O MET A 26 54.888 43.312 -49.978 1.00 1.30 O ATOM 425 CB MET A 26 53.886 40.592 -49.464 1.00 0.72 C ATOM 426 CG MET A 26 53.762 39.125 -49.051 1.00 0.91 C ATOM 427 SD MET A 26 53.676 39.007 -47.248 1.00 1.46 S ATOM 428 CE MET A 26 54.439 37.375 -47.098 1.00 1.96 C ATOM 0 H MET A 26 54.163 41.864 -47.378 1.00 0.56 H new ATOM 0 HA MET A 26 56.041 40.387 -49.189 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.099 41.179 -48.991 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.751 40.688 -50.541 1.00 0.72 H new ATOM 0 HG2 MET A 26 52.870 38.685 -49.497 1.00 0.91 H new ATOM 0 HG3 MET A 26 54.616 38.559 -49.422 1.00 0.91 H new ATOM 0 HE1 MET A 26 54.490 37.093 -46.046 1.00 1.96 H new ATOM 0 HE2 MET A 26 53.842 36.643 -47.642 1.00 1.96 H new ATOM 0 HE3 MET A 26 55.446 37.404 -47.515 1.00 1.96 H new ATOM 438 N VAL A 27 56.779 42.324 -50.538 1.00 0.76 N ATOM 439 CA VAL A 27 57.232 43.484 -51.373 1.00 0.80 C ATOM 440 C VAL A 27 56.043 44.221 -52.009 1.00 0.91 C ATOM 441 O VAL A 27 56.058 45.428 -52.145 1.00 1.08 O ATOM 442 CB VAL A 27 58.128 42.875 -52.451 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.676 43.996 -53.334 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.296 42.131 -51.791 1.00 1.06 C ATOM 0 H VAL A 27 57.431 41.540 -50.507 1.00 0.76 H new ATOM 0 HA VAL A 27 57.756 44.226 -50.771 1.00 0.80 H new ATOM 0 HB VAL A 27 57.551 42.175 -53.055 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.317 43.571 -54.106 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.848 44.528 -53.802 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.255 44.690 -52.724 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.933 41.698 -52.562 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.878 42.829 -51.189 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.908 41.337 -51.153 1.00 1.06 H new ATOM 454 N ALA A 28 55.014 43.513 -52.386 1.00 0.94 N ATOM 455 CA ALA A 28 53.830 44.190 -52.997 1.00 1.10 C ATOM 456 C ALA A 28 53.284 45.267 -52.048 1.00 1.12 C ATOM 457 O ALA A 28 52.807 46.299 -52.476 1.00 1.33 O ATOM 458 CB ALA A 28 52.806 43.074 -53.195 1.00 1.15 C ATOM 0 H ALA A 28 54.940 42.499 -52.299 1.00 0.94 H new ATOM 0 HA ALA A 28 54.074 44.693 -53.933 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.901 43.486 -53.642 1.00 1.15 H new ATOM 0 HB2 ALA A 28 53.221 42.312 -53.854 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.564 42.627 -52.231 1.00 1.15 H new ATOM 464 N THR A 29 53.358 45.040 -50.761 1.00 1.00 N ATOM 465 CA THR A 29 52.853 46.060 -49.789 1.00 1.09 C ATOM 466 C THR A 29 54.028 46.644 -48.987 1.00 0.90 C ATOM 467 O THR A 29 54.473 46.051 -48.023 1.00 0.93 O ATOM 468 CB THR A 29 51.896 45.304 -48.864 1.00 1.33 C ATOM 469 OG1 THR A 29 51.987 43.910 -49.122 1.00 1.93 O ATOM 470 CG2 THR A 29 50.463 45.780 -49.115 1.00 1.85 C ATOM 0 H THR A 29 53.745 44.195 -50.341 1.00 1.00 H new ATOM 0 HA THR A 29 52.355 46.892 -50.287 1.00 1.09 H new ATOM 0 HB THR A 29 52.166 45.497 -47.826 1.00 1.33 H new ATOM 0 HG1 THR A 29 51.375 43.427 -48.528 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.780 45.242 -48.457 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.394 46.849 -48.914 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.192 45.588 -50.153 1.00 1.85 H new ATOM 478 N PRO A 30 54.506 47.783 -49.427 1.00 0.99 N ATOM 479 CA PRO A 30 55.655 48.452 -48.763 1.00 1.03 C ATOM 480 C PRO A 30 55.303 48.954 -47.354 1.00 0.85 C ATOM 481 O PRO A 30 55.930 48.588 -46.379 1.00 0.90 O ATOM 482 CB PRO A 30 55.926 49.640 -49.692 1.00 1.44 C ATOM 483 CG PRO A 30 54.914 49.609 -50.852 1.00 1.67 C ATOM 484 CD PRO A 30 53.932 48.459 -50.616 1.00 1.36 C ATOM 0 HA PRO A 30 56.503 47.782 -48.623 1.00 1.03 H new ATOM 0 HB2 PRO A 30 55.839 50.576 -49.141 1.00 1.44 H new ATOM 0 HB3 PRO A 30 56.944 49.591 -50.079 1.00 1.44 H new ATOM 0 HG2 PRO A 30 54.379 50.557 -50.912 1.00 1.67 H new ATOM 0 HG3 PRO A 30 55.432 49.475 -51.802 1.00 1.67 H new ATOM 0 HD2 PRO A 30 52.921 48.821 -50.428 1.00 1.36 H new ATOM 0 HD3 PRO A 30 53.876 47.790 -51.475 1.00 1.36 H new ATOM 492 N LYS A 31 54.341 49.834 -47.252 1.00 0.96 N ATOM 493 CA LYS A 31 53.982 50.409 -45.918 1.00 1.02 C ATOM 494 C LYS A 31 52.826 49.654 -45.242 1.00 0.94 C ATOM 495 O LYS A 31 52.108 50.204 -44.437 1.00 1.09 O ATOM 496 CB LYS A 31 53.565 51.850 -46.236 1.00 1.39 C ATOM 497 CG LYS A 31 53.175 52.578 -44.944 1.00 1.90 C ATOM 498 CD LYS A 31 52.918 54.055 -45.232 1.00 2.38 C ATOM 499 CE LYS A 31 51.676 54.499 -44.457 1.00 2.81 C ATOM 500 NZ LYS A 31 52.145 54.694 -43.056 1.00 3.08 N ATOM 0 H LYS A 31 53.787 50.181 -48.035 1.00 0.96 H new ATOM 0 HA LYS A 31 54.815 50.341 -45.218 1.00 1.02 H new ATOM 0 HB2 LYS A 31 54.385 52.375 -46.726 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.725 51.850 -46.931 1.00 1.39 H new ATOM 0 HG2 LYS A 31 52.282 52.122 -44.516 1.00 1.90 H new ATOM 0 HG3 LYS A 31 53.970 52.476 -44.206 1.00 1.90 H new ATOM 0 HD2 LYS A 31 53.781 54.653 -44.937 1.00 2.38 H new ATOM 0 HD3 LYS A 31 52.772 54.211 -46.301 1.00 2.38 H new ATOM 0 HE2 LYS A 31 51.264 55.421 -44.867 1.00 2.81 H new ATOM 0 HE3 LYS A 31 50.889 53.747 -44.509 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 51.501 54.203 -42.403 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 53.104 54.305 -42.954 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 52.157 55.710 -42.832 1.00 3.08 H new ATOM 514 N VAL A 32 52.644 48.396 -45.511 1.00 0.83 N ATOM 515 CA VAL A 32 51.537 47.675 -44.813 1.00 0.87 C ATOM 516 C VAL A 32 52.013 46.288 -44.403 1.00 0.69 C ATOM 517 O VAL A 32 51.420 45.296 -44.781 1.00 0.70 O ATOM 518 CB VAL A 32 50.395 47.579 -45.825 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.290 46.682 -45.261 1.00 1.65 C ATOM 520 CG2 VAL A 32 49.825 48.974 -46.085 1.00 1.72 C ATOM 0 H VAL A 32 53.195 47.842 -46.166 1.00 0.83 H new ATOM 0 HA VAL A 32 51.215 48.191 -43.909 1.00 0.87 H new ATOM 0 HB VAL A 32 50.772 47.157 -46.757 1.00 1.10 H new ATOM 0 HG11 VAL A 32 48.475 46.612 -45.981 1.00 1.65 H new ATOM 0 HG12 VAL A 32 49.691 45.687 -45.070 1.00 1.65 H new ATOM 0 HG13 VAL A 32 48.916 47.107 -44.330 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.011 48.906 -46.807 1.00 1.72 H new ATOM 0 HG22 VAL A 32 49.449 49.393 -45.152 1.00 1.72 H new ATOM 0 HG23 VAL A 32 50.609 49.619 -46.482 1.00 1.72 H new ATOM 530 N PRO A 33 53.091 46.251 -43.664 1.00 0.67 N ATOM 531 CA PRO A 33 53.656 44.961 -43.244 1.00 0.65 C ATOM 532 C PRO A 33 52.718 44.173 -42.335 1.00 0.67 C ATOM 533 O PRO A 33 51.753 44.689 -41.802 1.00 0.79 O ATOM 534 CB PRO A 33 54.942 45.366 -42.518 1.00 0.82 C ATOM 535 CG PRO A 33 55.047 46.901 -42.532 1.00 0.91 C ATOM 536 CD PRO A 33 53.809 47.476 -43.225 1.00 0.84 C ATOM 0 HA PRO A 33 53.827 44.290 -44.085 1.00 0.65 H new ATOM 0 HB2 PRO A 33 54.931 44.996 -41.493 1.00 0.82 H new ATOM 0 HB3 PRO A 33 55.809 44.922 -43.007 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.121 47.283 -41.514 1.00 0.91 H new ATOM 0 HG3 PRO A 33 55.951 47.212 -43.056 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.206 48.079 -42.546 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.075 48.115 -44.067 1.00 0.84 H new ATOM 544 N VAL A 34 53.001 42.906 -42.178 1.00 0.64 N ATOM 545 CA VAL A 34 52.149 42.043 -41.333 1.00 0.72 C ATOM 546 C VAL A 34 52.800 41.792 -39.965 1.00 0.63 C ATOM 547 O VAL A 34 52.118 41.557 -38.989 1.00 0.79 O ATOM 548 CB VAL A 34 52.010 40.737 -42.118 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.557 41.033 -43.550 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.358 40.028 -42.161 1.00 1.19 C ATOM 0 H VAL A 34 53.797 42.435 -42.608 1.00 0.64 H new ATOM 0 HA VAL A 34 51.183 42.503 -41.127 1.00 0.72 H new ATOM 0 HB VAL A 34 51.270 40.104 -41.628 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.461 40.098 -44.102 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.594 41.543 -43.529 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.294 41.669 -44.040 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.262 39.097 -42.720 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.091 40.670 -42.649 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.687 39.809 -41.145 1.00 1.19 H new ATOM 560 N LYS A 35 54.108 41.825 -39.870 1.00 0.46 N ATOM 561 CA LYS A 35 54.740 41.569 -38.543 1.00 0.45 C ATOM 562 C LYS A 35 55.959 42.476 -38.314 1.00 0.39 C ATOM 563 O LYS A 35 56.717 42.758 -39.220 1.00 0.51 O ATOM 564 CB LYS A 35 55.179 40.103 -38.603 1.00 0.59 C ATOM 565 CG LYS A 35 54.012 39.187 -38.214 1.00 0.90 C ATOM 566 CD LYS A 35 54.569 37.847 -37.721 1.00 1.38 C ATOM 567 CE LYS A 35 53.467 36.782 -37.736 1.00 1.90 C ATOM 568 NZ LYS A 35 54.110 35.575 -38.331 1.00 2.50 N ATOM 0 H LYS A 35 54.752 42.014 -40.638 1.00 0.46 H new ATOM 0 HA LYS A 35 54.051 41.774 -37.724 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.523 39.859 -39.608 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.020 39.939 -37.929 1.00 0.59 H new ATOM 0 HG2 LYS A 35 53.411 39.654 -37.434 1.00 0.90 H new ATOM 0 HG3 LYS A 35 53.356 39.029 -39.070 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.398 37.533 -38.356 1.00 1.38 H new ATOM 0 HD3 LYS A 35 54.965 37.958 -36.711 1.00 1.38 H new ATOM 0 HE2 LYS A 35 53.100 36.579 -36.730 1.00 1.90 H new ATOM 0 HE3 LYS A 35 52.611 37.107 -38.328 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 53.418 34.800 -38.376 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 54.444 35.797 -39.291 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 54.917 35.286 -37.742 1.00 2.50 H new ATOM 582 N ARG A 36 56.163 42.905 -37.094 1.00 0.34 N ATOM 583 CA ARG A 36 57.347 43.759 -36.777 1.00 0.33 C ATOM 584 C ARG A 36 57.825 43.445 -35.349 1.00 0.36 C ATOM 585 O ARG A 36 57.129 43.694 -34.385 1.00 0.42 O ATOM 586 CB ARG A 36 56.889 45.226 -36.949 1.00 0.37 C ATOM 587 CG ARG A 36 56.622 45.890 -35.593 1.00 0.54 C ATOM 588 CD ARG A 36 56.126 47.342 -35.775 1.00 0.83 C ATOM 589 NE ARG A 36 56.560 47.790 -37.129 1.00 0.89 N ATOM 590 CZ ARG A 36 55.674 48.276 -37.963 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.393 49.553 -37.957 1.00 1.76 N ATOM 592 NH2 ARG A 36 55.063 47.481 -38.797 1.00 1.27 N ATOM 0 H ARG A 36 55.557 42.699 -36.300 1.00 0.34 H new ATOM 0 HA ARG A 36 58.195 43.571 -37.436 1.00 0.33 H new ATOM 0 HB2 ARG A 36 57.653 45.787 -37.487 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.984 45.258 -37.556 1.00 0.37 H new ATOM 0 HG2 ARG A 36 55.878 45.314 -35.042 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.534 45.886 -34.996 1.00 0.54 H new ATOM 0 HD2 ARG A 36 55.041 47.392 -35.683 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.542 47.990 -35.004 1.00 0.83 H new ATOM 0 HE ARG A 36 57.540 47.719 -37.404 1.00 0.89 H new ATOM 0 HH11 ARG A 36 55.864 50.176 -37.301 1.00 1.76 H new ATOM 0 HH12 ARG A 36 54.702 49.926 -38.608 1.00 1.76 H new ATOM 0 HH21 ARG A 36 55.275 46.483 -38.799 1.00 1.27 H new ATOM 0 HH22 ARG A 36 54.373 47.857 -39.447 1.00 1.27 H new ATOM 606 N GLY A 37 58.993 42.866 -35.204 1.00 0.34 N ATOM 607 CA GLY A 37 59.474 42.509 -33.835 1.00 0.39 C ATOM 608 C GLY A 37 60.977 42.783 -33.685 1.00 0.38 C ATOM 609 O GLY A 37 61.463 43.851 -34.003 1.00 0.44 O ATOM 0 H GLY A 37 59.627 42.628 -35.967 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.921 43.083 -33.091 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.272 41.456 -33.639 1.00 0.39 H new ATOM 613 N CYS A 38 61.712 41.822 -33.176 1.00 0.40 N ATOM 614 CA CYS A 38 63.181 42.019 -32.972 1.00 0.41 C ATOM 615 C CYS A 38 63.995 40.976 -33.740 1.00 0.39 C ATOM 616 O CYS A 38 63.603 39.832 -33.867 1.00 0.42 O ATOM 617 CB CYS A 38 63.409 41.805 -31.475 1.00 0.52 C ATOM 618 SG CYS A 38 62.515 43.053 -30.521 1.00 1.14 S ATOM 0 H CYS A 38 61.356 40.909 -32.893 1.00 0.40 H new ATOM 0 HA CYS A 38 63.491 43.003 -33.323 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.074 40.808 -31.188 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.474 41.860 -31.251 1.00 0.52 H new ATOM 623 N ILE A 39 65.143 41.358 -34.228 1.00 0.38 N ATOM 624 CA ILE A 39 66.007 40.402 -34.955 1.00 0.39 C ATOM 625 C ILE A 39 67.463 40.751 -34.650 1.00 0.43 C ATOM 626 O ILE A 39 67.770 41.853 -34.265 1.00 0.48 O ATOM 627 CB ILE A 39 65.664 40.636 -36.437 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.532 39.678 -36.838 1.00 0.39 C ATOM 629 CG2 ILE A 39 66.887 40.402 -37.343 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.535 39.449 -38.353 1.00 0.42 C ATOM 0 H ILE A 39 65.518 42.303 -34.150 1.00 0.38 H new ATOM 0 HA ILE A 39 65.859 39.358 -34.678 1.00 0.39 H new ATOM 0 HB ILE A 39 65.351 41.672 -36.564 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.652 38.726 -36.320 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.572 40.090 -36.528 1.00 0.39 H new ATOM 0 HG21 ILE A 39 66.608 40.576 -38.382 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.685 41.089 -37.061 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.234 39.375 -37.228 1.00 0.43 H new ATOM 0 HD11 ILE A 39 63.727 38.768 -38.620 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.392 40.400 -38.865 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.489 39.015 -38.654 1.00 0.42 H new ATOM 642 N ASP A 40 68.356 39.829 -34.835 1.00 0.48 N ATOM 643 CA ASP A 40 69.800 40.119 -34.598 1.00 0.56 C ATOM 644 C ASP A 40 70.524 40.016 -35.947 1.00 0.58 C ATOM 645 O ASP A 40 71.606 40.534 -36.139 1.00 0.67 O ATOM 646 CB ASP A 40 70.283 39.048 -33.619 1.00 0.67 C ATOM 647 CG ASP A 40 71.751 39.301 -33.270 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.092 40.447 -33.022 1.00 2.02 O ATOM 649 OD2 ASP A 40 72.509 38.346 -33.257 1.00 1.94 O ATOM 0 H ASP A 40 68.152 38.878 -35.142 1.00 0.48 H new ATOM 0 HA ASP A 40 69.986 41.111 -34.187 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.675 39.066 -32.715 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.168 38.058 -34.061 1.00 0.67 H new ATOM 654 N VAL A 41 69.890 39.357 -36.885 1.00 0.56 N ATOM 655 CA VAL A 41 70.447 39.195 -38.254 1.00 0.63 C ATOM 656 C VAL A 41 69.264 39.094 -39.226 1.00 0.58 C ATOM 657 O VAL A 41 68.485 38.163 -39.170 1.00 0.68 O ATOM 658 CB VAL A 41 71.233 37.886 -38.210 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.360 36.798 -37.590 1.00 1.54 C ATOM 660 CG2 VAL A 41 71.633 37.477 -39.630 1.00 1.57 C ATOM 0 H VAL A 41 68.982 38.913 -36.749 1.00 0.56 H new ATOM 0 HA VAL A 41 71.086 40.018 -38.574 1.00 0.63 H new ATOM 0 HB VAL A 41 72.133 38.020 -37.610 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.916 35.861 -37.556 1.00 1.54 H new ATOM 0 HG12 VAL A 41 70.078 37.090 -36.578 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.461 36.665 -38.193 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.194 36.543 -39.595 1.00 1.57 H new ATOM 0 HG22 VAL A 41 70.737 37.340 -40.235 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.254 38.256 -40.072 1.00 1.57 H new ATOM 670 N CYS A 42 69.090 40.059 -40.083 1.00 0.72 N ATOM 671 CA CYS A 42 67.921 40.019 -41.013 1.00 0.76 C ATOM 672 C CYS A 42 68.089 38.920 -42.070 1.00 0.76 C ATOM 673 O CYS A 42 69.153 38.764 -42.632 1.00 0.90 O ATOM 674 CB CYS A 42 67.898 41.398 -41.674 1.00 1.00 C ATOM 675 SG CYS A 42 66.190 41.837 -42.094 1.00 1.13 S ATOM 0 H CYS A 42 69.700 40.870 -40.182 1.00 0.72 H new ATOM 0 HA CYS A 42 66.994 39.795 -40.485 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.321 42.143 -41.001 1.00 1.00 H new ATOM 0 HB3 CYS A 42 68.515 41.393 -42.572 1.00 1.00 H new ATOM 680 N PRO A 43 67.018 38.196 -42.318 1.00 0.70 N ATOM 681 CA PRO A 43 67.043 37.113 -43.330 1.00 0.80 C ATOM 682 C PRO A 43 67.366 37.672 -44.722 1.00 0.89 C ATOM 683 O PRO A 43 67.910 38.750 -44.861 1.00 0.97 O ATOM 684 CB PRO A 43 65.611 36.571 -43.272 1.00 0.80 C ATOM 685 CG PRO A 43 64.819 37.360 -42.218 1.00 0.72 C ATOM 686 CD PRO A 43 65.735 38.417 -41.601 1.00 0.65 C ATOM 0 HA PRO A 43 67.802 36.354 -43.139 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.134 36.663 -44.248 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.620 35.511 -43.020 1.00 0.80 H new ATOM 0 HG2 PRO A 43 63.951 37.834 -42.676 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.445 36.688 -41.446 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.352 39.426 -41.757 1.00 0.65 H new ATOM 0 HD3 PRO A 43 65.844 38.280 -40.525 1.00 0.65 H new ATOM 694 N LYS A 44 67.033 36.943 -45.755 1.00 1.04 N ATOM 695 CA LYS A 44 67.314 37.430 -47.139 1.00 1.19 C ATOM 696 C LYS A 44 66.002 37.697 -47.875 1.00 1.07 C ATOM 697 O LYS A 44 65.127 36.854 -47.933 1.00 1.52 O ATOM 698 CB LYS A 44 68.099 36.305 -47.821 1.00 1.53 C ATOM 699 CG LYS A 44 67.404 34.964 -47.580 1.00 2.08 C ATOM 700 CD LYS A 44 68.207 34.153 -46.560 1.00 2.77 C ATOM 701 CE LYS A 44 69.163 33.212 -47.296 1.00 3.61 C ATOM 702 NZ LYS A 44 70.368 33.128 -46.424 1.00 4.19 N ATOM 0 H LYS A 44 66.579 36.031 -45.701 1.00 1.04 H new ATOM 0 HA LYS A 44 67.877 38.363 -47.139 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.173 36.499 -48.891 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.117 36.272 -47.432 1.00 1.53 H new ATOM 0 HG2 LYS A 44 66.390 35.127 -47.214 1.00 2.08 H new ATOM 0 HG3 LYS A 44 67.320 34.412 -48.516 1.00 2.08 H new ATOM 0 HD2 LYS A 44 68.768 34.822 -45.908 1.00 2.77 H new ATOM 0 HD3 LYS A 44 67.533 33.579 -45.924 1.00 2.77 H new ATOM 0 HE2 LYS A 44 68.714 32.230 -47.444 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.416 33.599 -48.283 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 71.071 32.499 -46.863 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 70.778 34.076 -46.306 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 70.098 32.750 -45.494 1.00 4.19 H new ATOM 716 N SER A 45 65.858 38.864 -48.437 1.00 1.01 N ATOM 717 CA SER A 45 64.601 39.187 -49.165 1.00 0.93 C ATOM 718 C SER A 45 64.605 38.504 -50.534 1.00 0.94 C ATOM 719 O SER A 45 65.644 38.210 -51.091 1.00 1.20 O ATOM 720 CB SER A 45 64.600 40.708 -49.309 1.00 1.04 C ATOM 721 OG SER A 45 65.537 41.267 -48.397 1.00 1.64 O ATOM 0 H SER A 45 66.556 39.608 -48.424 1.00 1.01 H new ATOM 0 HA SER A 45 63.712 38.838 -48.640 1.00 0.93 H new ATOM 0 HB2 SER A 45 64.858 40.988 -50.330 1.00 1.04 H new ATOM 0 HB3 SER A 45 63.603 41.103 -49.112 1.00 1.04 H new ATOM 0 HG SER A 45 65.540 42.243 -48.488 1.00 1.64 H new ATOM 727 N SER A 46 63.449 38.234 -51.071 1.00 0.84 N ATOM 728 CA SER A 46 63.384 37.552 -52.385 1.00 1.02 C ATOM 729 C SER A 46 62.222 38.096 -53.224 1.00 1.10 C ATOM 730 O SER A 46 61.761 39.204 -53.031 1.00 1.66 O ATOM 731 CB SER A 46 63.169 36.082 -52.028 1.00 1.08 C ATOM 732 OG SER A 46 61.881 35.661 -52.457 1.00 1.49 O ATOM 0 H SER A 46 62.546 38.458 -50.653 1.00 0.84 H new ATOM 0 HA SER A 46 64.280 37.706 -52.986 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.937 35.469 -52.499 1.00 1.08 H new ATOM 0 HB3 SER A 46 63.266 35.943 -50.951 1.00 1.08 H new ATOM 0 HG SER A 46 61.752 34.717 -52.226 1.00 1.49 H new ATOM 738 N LEU A 47 61.764 37.323 -54.167 1.00 1.13 N ATOM 739 CA LEU A 47 60.650 37.775 -55.046 1.00 1.25 C ATOM 740 C LEU A 47 59.405 38.162 -54.236 1.00 0.98 C ATOM 741 O LEU A 47 58.764 39.155 -54.518 1.00 1.23 O ATOM 742 CB LEU A 47 60.351 36.566 -55.932 1.00 1.60 C ATOM 743 CG LEU A 47 61.001 36.753 -57.305 1.00 2.09 C ATOM 744 CD1 LEU A 47 60.595 38.108 -57.886 1.00 2.75 C ATOM 745 CD2 LEU A 47 62.526 36.700 -57.165 1.00 2.50 C ATOM 0 H LEU A 47 62.117 36.388 -54.369 1.00 1.13 H new ATOM 0 HA LEU A 47 60.923 38.664 -55.614 1.00 1.25 H new ATOM 0 HB2 LEU A 47 60.728 35.658 -55.462 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.274 36.443 -56.044 1.00 1.60 H new ATOM 0 HG LEU A 47 60.668 35.956 -57.970 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.059 38.239 -58.864 1.00 2.75 H new ATOM 0 HD12 LEU A 47 59.511 38.149 -57.991 1.00 2.75 H new ATOM 0 HD13 LEU A 47 60.925 38.904 -57.218 1.00 2.75 H new ATOM 0 HD21 LEU A 47 62.986 36.833 -58.144 1.00 2.50 H new ATOM 0 HD22 LEU A 47 62.858 37.495 -56.497 1.00 2.50 H new ATOM 0 HD23 LEU A 47 62.820 35.734 -56.754 1.00 2.50 H new ATOM 757 N LEU A 48 59.040 37.389 -53.248 1.00 0.79 N ATOM 758 CA LEU A 48 57.816 37.733 -52.460 1.00 0.85 C ATOM 759 C LEU A 48 58.102 37.734 -50.955 1.00 0.71 C ATOM 760 O LEU A 48 57.289 37.302 -50.162 1.00 0.92 O ATOM 761 CB LEU A 48 56.811 36.637 -52.807 1.00 1.16 C ATOM 762 CG LEU A 48 57.370 35.281 -52.377 1.00 1.67 C ATOM 763 CD1 LEU A 48 56.589 34.768 -51.166 1.00 2.36 C ATOM 764 CD2 LEU A 48 57.234 34.284 -53.529 1.00 2.47 C ATOM 0 H LEU A 48 59.528 36.543 -52.953 1.00 0.79 H new ATOM 0 HA LEU A 48 57.450 38.731 -52.701 1.00 0.85 H new ATOM 0 HB2 LEU A 48 55.862 36.827 -52.306 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.611 36.637 -53.879 1.00 1.16 H new ATOM 0 HG LEU A 48 58.422 35.390 -52.112 1.00 1.67 H new ATOM 0 HD11 LEU A 48 56.987 33.801 -50.859 1.00 2.36 H new ATOM 0 HD12 LEU A 48 56.685 35.477 -50.344 1.00 2.36 H new ATOM 0 HD13 LEU A 48 55.537 34.660 -51.431 1.00 2.36 H new ATOM 0 HD21 LEU A 48 57.633 33.317 -53.222 1.00 2.47 H new ATOM 0 HD22 LEU A 48 56.182 34.175 -53.794 1.00 2.47 H new ATOM 0 HD23 LEU A 48 57.790 34.648 -54.393 1.00 2.47 H new ATOM 776 N VAL A 49 59.238 38.220 -50.552 1.00 0.54 N ATOM 777 CA VAL A 49 59.557 38.246 -49.096 1.00 0.49 C ATOM 778 C VAL A 49 60.454 39.447 -48.785 1.00 0.42 C ATOM 779 O VAL A 49 61.440 39.686 -49.453 1.00 0.58 O ATOM 780 CB VAL A 49 60.264 36.906 -48.790 1.00 0.65 C ATOM 781 CG1 VAL A 49 61.080 36.413 -49.994 1.00 0.99 C ATOM 782 CG2 VAL A 49 61.208 37.081 -47.597 1.00 1.13 C ATOM 0 H VAL A 49 59.960 38.600 -51.164 1.00 0.54 H new ATOM 0 HA VAL A 49 58.666 38.353 -48.478 1.00 0.49 H new ATOM 0 HB VAL A 49 59.493 36.169 -48.564 1.00 0.65 H new ATOM 0 HG11 VAL A 49 61.564 35.469 -49.744 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.418 36.266 -50.847 1.00 0.99 H new ATOM 0 HG13 VAL A 49 61.839 37.153 -50.247 1.00 0.99 H new ATOM 0 HG21 VAL A 49 61.705 36.134 -47.384 1.00 1.13 H new ATOM 0 HG22 VAL A 49 61.956 37.838 -47.833 1.00 1.13 H new ATOM 0 HG23 VAL A 49 60.636 37.395 -46.724 1.00 1.13 H new ATOM 792 N LYS A 50 60.110 40.216 -47.786 1.00 0.40 N ATOM 793 CA LYS A 50 60.941 41.408 -47.453 1.00 0.42 C ATOM 794 C LYS A 50 61.036 41.618 -45.933 1.00 0.44 C ATOM 795 O LYS A 50 60.098 42.064 -45.304 1.00 0.55 O ATOM 796 CB LYS A 50 60.199 42.573 -48.109 1.00 0.57 C ATOM 797 CG LYS A 50 60.897 43.886 -47.759 1.00 1.02 C ATOM 798 CD LYS A 50 61.574 44.459 -49.005 1.00 1.41 C ATOM 799 CE LYS A 50 61.032 45.867 -49.269 1.00 1.74 C ATOM 800 NZ LYS A 50 61.183 46.074 -50.736 1.00 2.40 N ATOM 0 H LYS A 50 59.295 40.071 -47.190 1.00 0.40 H new ATOM 0 HA LYS A 50 61.967 41.305 -47.805 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.175 42.439 -49.190 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.164 42.597 -47.767 1.00 0.57 H new ATOM 0 HG2 LYS A 50 60.173 44.600 -47.366 1.00 1.02 H new ATOM 0 HG3 LYS A 50 61.637 43.718 -46.976 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.654 44.493 -48.864 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.385 43.816 -49.865 1.00 1.41 H new ATOM 0 HE2 LYS A 50 59.989 45.951 -48.965 1.00 1.74 H new ATOM 0 HE3 LYS A 50 61.589 46.616 -48.706 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 60.740 46.975 -51.007 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 62.193 46.097 -50.981 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 60.721 45.294 -51.246 1.00 2.40 H new ATOM 814 N TYR A 51 62.170 41.323 -45.340 1.00 0.44 N ATOM 815 CA TYR A 51 62.320 41.538 -43.865 1.00 0.52 C ATOM 816 C TYR A 51 63.149 42.803 -43.612 1.00 0.45 C ATOM 817 O TYR A 51 64.334 42.833 -43.876 1.00 0.59 O ATOM 818 CB TYR A 51 63.090 40.330 -43.323 1.00 0.73 C ATOM 819 CG TYR A 51 62.221 39.096 -43.291 1.00 0.50 C ATOM 820 CD1 TYR A 51 61.973 38.373 -44.465 1.00 0.69 C ATOM 821 CD2 TYR A 51 61.697 38.651 -42.071 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.191 37.211 -44.417 1.00 0.76 C ATOM 823 CE2 TYR A 51 60.921 37.489 -42.024 1.00 1.19 C ATOM 824 CZ TYR A 51 60.667 36.769 -43.196 1.00 1.05 C ATOM 825 OH TYR A 51 59.899 35.622 -43.149 1.00 1.47 O ATOM 0 H TYR A 51 62.993 40.945 -45.810 1.00 0.44 H new ATOM 0 HA TYR A 51 61.348 41.649 -43.385 1.00 0.52 H new ATOM 0 HB2 TYR A 51 63.966 40.145 -43.945 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.453 40.548 -42.319 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.384 38.710 -45.405 1.00 0.69 H new ATOM 0 HD2 TYR A 51 61.893 39.206 -41.165 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.992 36.656 -45.322 1.00 0.76 H new ATOM 0 HE2 TYR A 51 60.517 37.147 -41.082 1.00 1.19 H new ATOM 0 HH TYR A 51 59.117 35.775 -42.578 1.00 1.47 H new ATOM 835 N VAL A 52 62.554 43.838 -43.089 1.00 0.44 N ATOM 836 CA VAL A 52 63.338 45.077 -42.813 1.00 0.49 C ATOM 837 C VAL A 52 63.909 45.004 -41.403 1.00 0.43 C ATOM 838 O VAL A 52 63.202 44.713 -40.472 1.00 0.56 O ATOM 839 CB VAL A 52 62.329 46.220 -42.923 1.00 0.69 C ATOM 840 CG1 VAL A 52 62.855 47.468 -42.203 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.098 46.554 -44.394 1.00 0.82 C ATOM 0 H VAL A 52 61.565 43.882 -42.842 1.00 0.44 H new ATOM 0 HA VAL A 52 64.172 45.211 -43.501 1.00 0.49 H new ATOM 0 HB VAL A 52 61.394 45.907 -42.459 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.125 48.273 -42.290 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.018 47.239 -41.150 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.796 47.780 -42.656 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.379 47.369 -44.473 1.00 0.82 H new ATOM 0 HG22 VAL A 52 63.040 46.856 -44.851 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.710 45.676 -44.910 1.00 0.82 H new ATOM 851 N CYS A 53 65.178 45.261 -41.240 1.00 0.44 N ATOM 852 CA CYS A 53 65.780 45.190 -39.876 1.00 0.47 C ATOM 853 C CYS A 53 66.756 46.350 -39.631 1.00 0.46 C ATOM 854 O CYS A 53 67.694 46.555 -40.375 1.00 0.68 O ATOM 855 CB CYS A 53 66.533 43.860 -39.863 1.00 0.73 C ATOM 856 SG CYS A 53 65.416 42.523 -40.357 1.00 1.39 S ATOM 0 H CYS A 53 65.823 45.516 -41.988 1.00 0.44 H new ATOM 0 HA CYS A 53 65.022 45.260 -39.096 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.384 43.906 -40.543 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.931 43.666 -38.867 1.00 0.73 H new ATOM 861 N CYS A 54 66.557 47.084 -38.567 1.00 0.39 N ATOM 862 CA CYS A 54 67.491 48.214 -38.235 1.00 0.51 C ATOM 863 C CYS A 54 68.074 47.981 -36.835 1.00 0.48 C ATOM 864 O CYS A 54 67.394 47.492 -35.960 1.00 0.46 O ATOM 865 CB CYS A 54 66.652 49.500 -38.288 1.00 0.68 C ATOM 866 SG CYS A 54 65.001 49.203 -37.605 1.00 1.08 S ATOM 0 H CYS A 54 65.788 46.953 -37.910 1.00 0.39 H new ATOM 0 HA CYS A 54 68.326 48.285 -38.932 1.00 0.51 H new ATOM 0 HB2 CYS A 54 67.149 50.290 -37.725 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.570 49.846 -39.318 1.00 0.68 H new ATOM 871 N ASN A 55 69.330 48.304 -36.627 1.00 0.52 N ATOM 872 CA ASN A 55 69.977 48.047 -35.296 1.00 0.55 C ATOM 873 C ASN A 55 69.815 49.232 -34.353 1.00 0.54 C ATOM 874 O ASN A 55 70.766 49.895 -33.988 1.00 0.61 O ATOM 875 CB ASN A 55 71.463 47.841 -35.618 1.00 0.67 C ATOM 876 CG ASN A 55 72.072 49.152 -36.126 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.611 49.926 -35.361 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.018 49.429 -37.399 1.00 2.32 N ATOM 0 H ASN A 55 69.938 48.736 -37.323 1.00 0.52 H new ATOM 0 HA ASN A 55 69.524 47.191 -34.795 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.994 47.504 -34.728 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.576 47.061 -36.371 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.428 50.294 -37.750 1.00 2.32 H new ATOM 0 HD22 ASN A 55 71.566 48.780 -38.043 1.00 2.32 H new ATOM 885 N THR A 56 68.616 49.473 -33.924 1.00 0.49 N ATOM 886 CA THR A 56 68.385 50.598 -32.963 1.00 0.50 C ATOM 887 C THR A 56 67.192 50.285 -32.054 1.00 0.48 C ATOM 888 O THR A 56 66.525 49.282 -32.212 1.00 0.57 O ATOM 889 CB THR A 56 68.146 51.880 -33.782 1.00 0.54 C ATOM 890 OG1 THR A 56 66.838 52.362 -33.530 1.00 1.15 O ATOM 891 CG2 THR A 56 68.331 51.626 -35.285 1.00 1.16 C ATOM 0 H THR A 56 67.783 48.948 -34.190 1.00 0.49 H new ATOM 0 HA THR A 56 69.252 50.735 -32.317 1.00 0.50 H new ATOM 0 HB THR A 56 68.880 52.626 -33.477 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.685 53.179 -34.049 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.155 52.551 -35.835 1.00 1.16 H new ATOM 0 HG22 THR A 56 69.347 51.280 -35.473 1.00 1.16 H new ATOM 0 HG23 THR A 56 67.622 50.867 -35.616 1.00 1.16 H new ATOM 899 N ASP A 57 66.918 51.137 -31.102 1.00 0.58 N ATOM 900 CA ASP A 57 65.770 50.889 -30.177 1.00 0.60 C ATOM 901 C ASP A 57 64.450 51.323 -30.825 1.00 0.59 C ATOM 902 O ASP A 57 64.266 52.476 -31.162 1.00 0.72 O ATOM 903 CB ASP A 57 66.062 51.753 -28.951 1.00 0.71 C ATOM 904 CG ASP A 57 65.405 51.133 -27.717 1.00 0.95 C ATOM 905 OD1 ASP A 57 65.919 50.139 -27.234 1.00 1.70 O ATOM 906 OD2 ASP A 57 64.398 51.665 -27.279 1.00 1.47 O ATOM 0 H ASP A 57 67.439 51.995 -30.924 1.00 0.58 H new ATOM 0 HA ASP A 57 65.668 49.833 -29.928 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.138 51.835 -28.800 1.00 0.71 H new ATOM 0 HB3 ASP A 57 65.684 52.763 -29.107 1.00 0.71 H new ATOM 911 N ARG A 58 63.526 50.413 -31.002 1.00 0.56 N ATOM 912 CA ARG A 58 62.229 50.798 -31.629 1.00 0.61 C ATOM 913 C ARG A 58 62.508 51.472 -32.974 1.00 0.60 C ATOM 914 O ARG A 58 62.396 52.674 -33.108 1.00 0.87 O ATOM 915 CB ARG A 58 61.611 51.801 -30.653 1.00 0.73 C ATOM 916 CG ARG A 58 60.155 52.058 -31.039 1.00 0.93 C ATOM 917 CD ARG A 58 59.223 51.374 -30.031 1.00 1.16 C ATOM 918 NE ARG A 58 57.983 52.205 -30.005 1.00 1.10 N ATOM 919 CZ ARG A 58 58.023 53.435 -29.572 1.00 1.34 C ATOM 920 NH1 ARG A 58 59.040 53.844 -28.863 1.00 1.52 N ATOM 921 NH2 ARG A 58 57.043 54.255 -29.847 1.00 1.91 N ATOM 0 H ARG A 58 63.613 49.431 -30.742 1.00 0.56 H new ATOM 0 HA ARG A 58 61.571 49.948 -31.811 1.00 0.61 H new ATOM 0 HB2 ARG A 58 61.666 51.415 -29.635 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.173 52.735 -30.670 1.00 0.73 H new ATOM 0 HG2 ARG A 58 59.959 53.130 -31.061 1.00 0.93 H new ATOM 0 HG3 ARG A 58 59.962 51.678 -32.042 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.003 50.350 -30.333 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.682 51.324 -29.044 1.00 1.16 H new ATOM 0 HE ARG A 58 57.100 51.809 -30.327 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.803 53.202 -28.648 1.00 1.52 H new ATOM 0 HH12 ARG A 58 59.072 54.806 -28.524 1.00 1.52 H new ATOM 0 HH21 ARG A 58 56.248 53.933 -30.399 1.00 1.91 H new ATOM 0 HH22 ARG A 58 57.073 55.217 -29.509 1.00 1.91 H new ATOM 935 N CYS A 59 62.901 50.719 -33.965 1.00 0.44 N ATOM 936 CA CYS A 59 63.219 51.345 -35.278 1.00 0.47 C ATOM 937 C CYS A 59 62.509 50.631 -36.442 1.00 0.60 C ATOM 938 O CYS A 59 62.829 50.855 -37.593 1.00 1.14 O ATOM 939 CB CYS A 59 64.748 51.233 -35.393 1.00 0.42 C ATOM 940 SG CYS A 59 65.236 49.511 -35.626 1.00 0.84 S ATOM 0 H CYS A 59 63.015 49.706 -33.923 1.00 0.44 H new ATOM 0 HA CYS A 59 62.874 52.378 -35.333 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.101 51.834 -36.231 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.217 51.632 -34.494 1.00 0.42 H new ATOM 945 N ASN A 60 61.535 49.796 -36.171 1.00 0.52 N ATOM 946 CA ASN A 60 60.822 49.116 -37.297 1.00 0.55 C ATOM 947 C ASN A 60 59.311 49.389 -37.232 1.00 0.71 C ATOM 948 O ASN A 60 58.661 48.862 -36.346 1.00 1.39 O ATOM 949 CB ASN A 60 61.126 47.620 -37.149 1.00 0.41 C ATOM 950 CG ASN A 60 60.325 47.009 -35.993 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.273 47.564 -34.906 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.698 45.877 -36.185 1.00 0.40 N ATOM 953 OXT ASN A 60 58.831 50.125 -38.079 1.00 1.25 O ATOM 0 H ASN A 60 61.207 49.559 -35.235 1.00 0.52 H new ATOM 0 HA ASN A 60 61.157 49.489 -38.265 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.884 47.102 -38.077 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.192 47.477 -36.973 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.163 45.455 -35.426 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.744 45.416 -37.094 1.00 0.40 H new