USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=17 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 178:sc= -0.769 (180deg=-0.472) USER MOD Set 1.2: A 51 TYR OH : rot 165:sc= -1.1 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.575) USER MOD Single : A 4 ASN :FLIP amide:sc= -3.71! C(o=-4.4!,f=-3.7!) USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= -1.21 (180deg=-3.72!) 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= 0.00512 USER MOD Single : A 18 LYS NZ :NH3+ -122:sc= -0.619 (180deg=-2.29!) USER MOD Single : A 19 ASN : amide:sc= -0.648 K(o=-0.65,f=-4.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0116) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 170:sc= -0.76 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.276 (180deg=-1.52!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0305! USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -0.037 (180deg=-0.394) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.92! C(o=-3.1!,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 81:sc= -0.227 USER MOD Single : A 60 ASN : amide:sc= -9.39! C(o=-9.4!,f=-25!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.282 45.438 -25.409 1.00 1.26 N ATOM 2 CA LEU A 1 66.064 46.526 -26.405 1.00 0.65 C ATOM 3 C LEU A 1 64.587 46.590 -26.801 1.00 0.58 C ATOM 4 O LEU A 1 63.912 45.585 -26.853 1.00 0.77 O ATOM 5 CB LEU A 1 66.923 46.131 -27.606 1.00 1.19 C ATOM 6 CG LEU A 1 67.093 47.336 -28.529 1.00 1.07 C ATOM 7 CD1 LEU A 1 68.025 48.350 -27.867 1.00 1.38 C ATOM 8 CD2 LEU A 1 67.697 46.880 -29.861 1.00 1.53 C ATOM 0 H1 LEU A 1 67.288 45.403 -25.147 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.710 45.624 -24.561 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.001 44.527 -25.823 1.00 1.26 H new ATOM 0 HA LEU A 1 66.331 47.508 -26.014 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.897 45.777 -27.269 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.455 45.308 -28.147 1.00 1.19 H new ATOM 0 HG LEU A 1 66.122 47.796 -28.712 1.00 1.07 H new ATOM 0 HD11 LEU A 1 68.149 49.212 -28.522 1.00 1.38 H new ATOM 0 HD12 LEU A 1 67.596 48.674 -26.919 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.996 47.888 -27.687 1.00 1.38 H new ATOM 0 HD21 LEU A 1 67.818 47.740 -30.519 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.669 46.421 -29.681 1.00 1.53 H new ATOM 0 HD23 LEU A 1 67.034 46.154 -30.331 1.00 1.53 H new ATOM 22 N LYS A 2 64.083 47.761 -27.093 1.00 0.45 N ATOM 23 CA LYS A 2 62.650 47.874 -27.498 1.00 0.53 C ATOM 24 C LYS A 2 62.558 48.029 -29.017 1.00 0.43 C ATOM 25 O LYS A 2 63.492 48.461 -29.655 1.00 0.59 O ATOM 26 CB LYS A 2 62.113 49.131 -26.800 1.00 0.71 C ATOM 27 CG LYS A 2 61.788 48.817 -25.338 1.00 1.14 C ATOM 28 CD LYS A 2 61.965 50.082 -24.497 1.00 1.23 C ATOM 29 CE LYS A 2 62.175 49.698 -23.032 1.00 1.98 C ATOM 30 NZ LYS A 2 60.945 48.949 -22.657 1.00 2.63 N ATOM 0 H LYS A 2 64.599 48.640 -27.069 1.00 0.45 H new ATOM 0 HA LYS A 2 62.075 46.991 -27.219 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.852 49.931 -26.854 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.219 49.488 -27.312 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.765 48.450 -25.252 1.00 1.14 H new ATOM 0 HG3 LYS A 2 62.443 48.027 -24.970 1.00 1.14 H new ATOM 0 HD2 LYS A 2 62.818 50.655 -24.859 1.00 1.23 H new ATOM 0 HD3 LYS A 2 61.087 50.721 -24.594 1.00 1.23 H new ATOM 0 HE2 LYS A 2 63.066 49.083 -22.908 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.307 50.581 -22.406 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 60.816 48.987 -21.626 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 60.121 49.378 -23.125 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 61.037 47.958 -22.958 1.00 2.63 H new ATOM 44 N CYS A 3 61.447 47.676 -29.602 1.00 0.40 N ATOM 45 CA CYS A 3 61.301 47.810 -31.082 1.00 0.40 C ATOM 46 C CYS A 3 59.830 48.069 -31.441 1.00 0.40 C ATOM 47 O CYS A 3 58.945 47.406 -30.938 1.00 0.44 O ATOM 48 CB CYS A 3 61.767 46.471 -31.656 1.00 0.54 C ATOM 49 SG CYS A 3 63.580 46.427 -31.712 1.00 0.68 S ATOM 0 H CYS A 3 60.631 47.299 -29.119 1.00 0.40 H new ATOM 0 HA CYS A 3 61.881 48.642 -31.481 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.393 45.651 -31.043 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.359 46.332 -32.657 1.00 0.54 H new ATOM 54 N ASN A 4 59.562 49.019 -32.307 1.00 0.43 N ATOM 55 CA ASN A 4 58.142 49.303 -32.699 1.00 0.49 C ATOM 56 C ASN A 4 57.358 47.993 -32.808 1.00 0.49 C ATOM 57 O ASN A 4 57.867 46.999 -33.287 1.00 0.55 O ATOM 58 CB ASN A 4 58.233 49.974 -34.072 1.00 0.60 C ATOM 59 CG ASN A 4 58.435 51.480 -33.901 1.00 0.99 C ATOM 60 OD1 ASN A 4 59.599 52.003 -34.171 1.00 1.93 O flip ATOM 61 ND2 ASN A 4 57.524 52.188 -33.519 1.00 1.09 N flip ATOM 0 H ASN A 4 60.262 49.608 -32.758 1.00 0.43 H new ATOM 0 HA ASN A 4 57.632 49.930 -31.968 1.00 0.49 H new ATOM 0 HB2 ASN A 4 59.060 49.549 -34.640 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.324 49.782 -34.641 1.00 0.60 H new ATOM 0 HD21 ASN A 4 56.614 51.779 -33.308 1.00 1.09 H new ATOM 0 HD22 ASN A 4 57.670 53.192 -33.409 1.00 1.09 H new ATOM 68 N LYS A 5 56.128 47.963 -32.364 1.00 0.52 N ATOM 69 CA LYS A 5 55.366 46.688 -32.459 1.00 0.60 C ATOM 70 C LYS A 5 54.413 46.721 -33.656 1.00 0.71 C ATOM 71 O LYS A 5 54.178 47.755 -34.250 1.00 1.48 O ATOM 72 CB LYS A 5 54.623 46.520 -31.116 1.00 0.68 C ATOM 73 CG LYS A 5 53.109 46.662 -31.268 1.00 1.03 C ATOM 74 CD LYS A 5 52.493 45.277 -31.481 1.00 1.48 C ATOM 75 CE LYS A 5 51.620 44.923 -30.275 1.00 1.84 C ATOM 76 NZ LYS A 5 52.189 43.651 -29.744 1.00 2.49 N ATOM 0 H LYS A 5 55.629 48.750 -31.949 1.00 0.52 H new ATOM 0 HA LYS A 5 56.023 45.834 -32.627 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.853 45.541 -30.696 1.00 0.68 H new ATOM 0 HB3 LYS A 5 54.986 47.264 -30.407 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.684 47.129 -30.380 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.875 47.311 -32.112 1.00 1.03 H new ATOM 0 HD2 LYS A 5 51.895 45.268 -32.393 1.00 1.48 H new ATOM 0 HD3 LYS A 5 53.279 44.532 -31.607 1.00 1.48 H new ATOM 0 HE2 LYS A 5 51.648 45.712 -29.523 1.00 1.84 H new ATOM 0 HE3 LYS A 5 50.577 44.797 -30.566 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.421 42.968 -29.582 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 52.862 43.258 -30.432 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 52.681 43.838 -28.847 1.00 2.49 H new ATOM 90 N LEU A 6 53.873 45.591 -34.006 1.00 0.53 N ATOM 91 CA LEU A 6 52.939 45.515 -35.164 1.00 0.57 C ATOM 92 C LEU A 6 52.057 46.766 -35.276 1.00 0.62 C ATOM 93 O LEU A 6 51.877 47.301 -36.352 1.00 0.72 O ATOM 94 CB LEU A 6 52.091 44.279 -34.886 1.00 0.59 C ATOM 95 CG LEU A 6 51.918 43.466 -36.168 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.741 42.506 -35.997 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.647 44.405 -37.349 1.00 0.78 C ATOM 0 H LEU A 6 54.040 44.703 -33.533 1.00 0.53 H new ATOM 0 HA LEU A 6 53.477 45.456 -36.110 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.565 43.667 -34.119 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.116 44.576 -34.499 1.00 0.59 H new ATOM 0 HG LEU A 6 52.829 42.901 -36.365 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.612 41.923 -36.909 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.938 41.835 -35.161 1.00 1.22 H new ATOM 0 HD13 LEU A 6 49.833 43.075 -35.799 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.525 43.818 -38.260 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.737 44.975 -37.160 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.486 45.090 -37.469 1.00 0.78 H new ATOM 109 N VAL A 7 51.488 47.239 -34.195 1.00 0.61 N ATOM 110 CA VAL A 7 50.617 48.446 -34.297 1.00 0.71 C ATOM 111 C VAL A 7 51.429 49.729 -34.036 1.00 0.70 C ATOM 112 O VAL A 7 52.240 49.769 -33.129 1.00 0.62 O ATOM 113 CB VAL A 7 49.554 48.253 -33.216 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.486 49.340 -33.349 1.00 0.93 C ATOM 115 CG2 VAL A 7 48.898 46.880 -33.380 1.00 0.79 C ATOM 0 H VAL A 7 51.588 46.847 -33.259 1.00 0.61 H new ATOM 0 HA VAL A 7 50.181 48.554 -35.290 1.00 0.71 H new ATOM 0 HB VAL A 7 50.024 48.319 -32.235 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.728 49.202 -32.578 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.948 50.320 -33.232 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.020 49.274 -34.332 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.140 46.744 -32.608 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.431 46.815 -34.363 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.655 46.101 -33.286 1.00 0.79 H new ATOM 125 N PRO A 8 51.183 50.747 -34.835 1.00 0.84 N ATOM 126 CA PRO A 8 51.896 52.044 -34.678 1.00 0.91 C ATOM 127 C PRO A 8 51.485 52.730 -33.368 1.00 0.92 C ATOM 128 O PRO A 8 51.074 53.876 -33.358 1.00 1.21 O ATOM 129 CB PRO A 8 51.402 52.846 -35.889 1.00 1.09 C ATOM 130 CG PRO A 8 50.416 51.972 -36.691 1.00 1.12 C ATOM 131 CD PRO A 8 50.194 50.656 -35.932 1.00 0.97 C ATOM 0 HA PRO A 8 52.981 51.944 -34.636 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.913 53.763 -35.561 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.243 53.140 -36.517 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.469 52.496 -36.824 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.812 51.772 -37.686 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.175 50.573 -35.554 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.370 49.787 -36.566 1.00 0.97 H new ATOM 139 N LEU A 9 51.591 52.040 -32.266 1.00 0.78 N ATOM 140 CA LEU A 9 51.211 52.640 -30.964 1.00 0.82 C ATOM 141 C LEU A 9 52.076 52.047 -29.855 1.00 0.72 C ATOM 142 O LEU A 9 52.567 52.749 -28.995 1.00 0.84 O ATOM 143 CB LEU A 9 49.738 52.271 -30.774 1.00 0.87 C ATOM 144 CG LEU A 9 48.869 53.332 -31.454 1.00 1.12 C ATOM 145 CD1 LEU A 9 48.338 52.778 -32.774 1.00 1.82 C ATOM 146 CD2 LEU A 9 47.689 53.708 -30.551 1.00 1.60 C ATOM 0 H LEU A 9 51.928 51.079 -32.215 1.00 0.78 H new ATOM 0 HA LEU A 9 51.357 53.720 -30.936 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.537 51.289 -31.202 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.498 52.211 -29.712 1.00 0.87 H new ATOM 0 HG LEU A 9 49.472 54.221 -31.639 1.00 1.12 H new ATOM 0 HD11 LEU A 9 47.718 53.531 -33.262 1.00 1.82 H new ATOM 0 HD12 LEU A 9 49.175 52.521 -33.423 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.741 51.887 -32.581 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.078 54.463 -31.046 1.00 1.60 H new ATOM 0 HD22 LEU A 9 47.084 52.823 -30.356 1.00 1.60 H new ATOM 0 HD23 LEU A 9 48.065 54.106 -29.608 1.00 1.60 H new ATOM 158 N PHE A 10 52.269 50.757 -29.872 1.00 0.57 N ATOM 159 CA PHE A 10 53.106 50.112 -28.820 1.00 0.55 C ATOM 160 C PHE A 10 54.337 49.446 -29.447 1.00 0.49 C ATOM 161 O PHE A 10 54.413 49.270 -30.646 1.00 0.52 O ATOM 162 CB PHE A 10 52.230 49.038 -28.156 1.00 0.62 C ATOM 163 CG PHE A 10 50.802 49.052 -28.690 1.00 0.64 C ATOM 164 CD1 PHE A 10 49.889 49.983 -28.188 1.00 0.77 C ATOM 165 CD2 PHE A 10 50.387 48.130 -29.666 1.00 0.75 C ATOM 166 CE1 PHE A 10 48.569 49.998 -28.653 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.066 48.145 -30.129 1.00 0.89 C ATOM 168 CZ PHE A 10 48.158 49.079 -29.623 1.00 0.94 C ATOM 0 H PHE A 10 51.883 50.121 -30.569 1.00 0.57 H new ATOM 0 HA PHE A 10 53.453 50.852 -28.099 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.670 48.056 -28.326 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.215 49.199 -27.078 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.203 50.694 -27.438 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.088 47.409 -30.059 1.00 0.75 H new ATOM 0 HE1 PHE A 10 47.867 50.720 -28.262 1.00 0.92 H new ATOM 0 HE2 PHE A 10 48.748 47.434 -30.878 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.139 49.091 -29.981 1.00 0.94 H new ATOM 178 N TYR A 11 55.292 49.052 -28.639 1.00 0.47 N ATOM 179 CA TYR A 11 56.504 48.373 -29.198 1.00 0.44 C ATOM 180 C TYR A 11 56.754 47.039 -28.487 1.00 0.49 C ATOM 181 O TYR A 11 55.961 46.594 -27.680 1.00 0.62 O ATOM 182 CB TYR A 11 57.677 49.326 -28.985 1.00 0.42 C ATOM 183 CG TYR A 11 57.599 49.993 -27.627 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.193 49.266 -26.498 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.948 51.341 -27.498 1.00 0.70 C ATOM 186 CE1 TYR A 11 57.136 49.887 -25.249 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.892 51.962 -26.246 1.00 0.76 C ATOM 188 CZ TYR A 11 57.485 51.236 -25.120 1.00 0.67 C ATOM 189 OH TYR A 11 57.430 51.849 -23.885 1.00 0.83 O ATOM 0 H TYR A 11 55.286 49.170 -27.626 1.00 0.47 H new ATOM 0 HA TYR A 11 56.371 48.149 -30.256 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.615 48.778 -29.071 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.679 50.085 -29.767 1.00 0.42 H new ATOM 0 HD1 TYR A 11 56.924 48.225 -26.595 1.00 0.69 H new ATOM 0 HD2 TYR A 11 58.261 51.903 -28.366 1.00 0.70 H new ATOM 0 HE1 TYR A 11 56.822 49.326 -24.381 1.00 0.80 H new ATOM 0 HE2 TYR A 11 58.163 53.003 -26.148 1.00 0.76 H new ATOM 0 HH TYR A 11 57.706 52.785 -23.972 1.00 0.83 H new ATOM 199 N LYS A 12 57.857 46.401 -28.776 1.00 0.50 N ATOM 200 CA LYS A 12 58.170 45.103 -28.115 1.00 0.59 C ATOM 201 C LYS A 12 59.622 45.106 -27.644 1.00 0.49 C ATOM 202 O LYS A 12 60.296 46.114 -27.699 1.00 0.49 O ATOM 203 CB LYS A 12 57.953 44.036 -29.190 1.00 0.74 C ATOM 204 CG LYS A 12 56.605 44.274 -29.870 1.00 1.20 C ATOM 205 CD LYS A 12 55.466 43.972 -28.886 1.00 1.50 C ATOM 206 CE LYS A 12 55.148 42.472 -28.913 1.00 1.68 C ATOM 207 NZ LYS A 12 55.096 42.048 -27.482 1.00 2.19 N ATOM 0 H LYS A 12 58.556 46.725 -29.444 1.00 0.50 H new ATOM 0 HA LYS A 12 57.545 44.920 -27.241 1.00 0.59 H new ATOM 0 HB2 LYS A 12 58.757 44.075 -29.925 1.00 0.74 H new ATOM 0 HB3 LYS A 12 57.978 43.042 -28.743 1.00 0.74 H new ATOM 0 HG2 LYS A 12 56.538 45.306 -30.213 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.515 43.639 -30.751 1.00 1.20 H new ATOM 0 HD2 LYS A 12 55.752 44.275 -27.879 1.00 1.50 H new ATOM 0 HD3 LYS A 12 54.579 44.547 -29.153 1.00 1.50 H new ATOM 0 HE2 LYS A 12 54.199 42.281 -29.413 1.00 1.68 H new ATOM 0 HE3 LYS A 12 55.913 41.919 -29.458 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 54.882 41.032 -27.429 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 56.015 42.233 -27.032 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 54.354 42.584 -26.988 1.00 2.19 H new ATOM 221 N THR A 13 60.108 43.995 -27.180 1.00 0.64 N ATOM 222 CA THR A 13 61.517 43.949 -26.706 1.00 0.62 C ATOM 223 C THR A 13 62.322 42.963 -27.546 1.00 0.66 C ATOM 224 O THR A 13 61.794 42.288 -28.406 1.00 0.75 O ATOM 225 CB THR A 13 61.438 43.485 -25.252 1.00 0.70 C ATOM 226 OG1 THR A 13 60.100 43.115 -24.942 1.00 1.06 O ATOM 227 CG2 THR A 13 61.880 44.623 -24.334 1.00 1.08 C ATOM 0 H THR A 13 59.594 43.117 -27.107 1.00 0.64 H new ATOM 0 HA THR A 13 62.013 44.916 -26.792 1.00 0.62 H new ATOM 0 HB THR A 13 62.092 42.625 -25.108 1.00 0.70 H new ATOM 0 HG1 THR A 13 60.051 42.816 -24.010 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.825 44.295 -23.296 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.906 44.905 -24.572 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.225 45.482 -24.479 1.00 1.08 H new ATOM 235 N CYS A 14 63.598 42.876 -27.311 1.00 0.65 N ATOM 236 CA CYS A 14 64.428 41.937 -28.109 1.00 0.76 C ATOM 237 C CYS A 14 65.292 41.089 -27.172 1.00 0.87 C ATOM 238 O CYS A 14 65.860 41.601 -26.228 1.00 0.99 O ATOM 239 CB CYS A 14 65.303 42.823 -29.006 1.00 0.75 C ATOM 240 SG CYS A 14 64.363 44.270 -29.576 1.00 1.34 S ATOM 0 H CYS A 14 64.101 43.412 -26.604 1.00 0.65 H new ATOM 0 HA CYS A 14 63.824 41.250 -28.701 1.00 0.76 H new ATOM 0 HB2 CYS A 14 66.186 43.148 -28.456 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.655 42.249 -29.863 1.00 0.75 H new ATOM 245 N PRO A 15 65.355 39.813 -27.456 1.00 1.06 N ATOM 246 CA PRO A 15 66.148 38.891 -26.617 1.00 1.31 C ATOM 247 C PRO A 15 67.612 39.339 -26.537 1.00 1.16 C ATOM 248 O PRO A 15 67.970 40.417 -26.971 1.00 1.40 O ATOM 249 CB PRO A 15 66.003 37.560 -27.359 1.00 1.54 C ATOM 250 CG PRO A 15 65.129 37.775 -28.607 1.00 1.54 C ATOM 251 CD PRO A 15 64.646 39.226 -28.619 1.00 1.24 C ATOM 0 HA PRO A 15 65.813 38.843 -25.581 1.00 1.31 H new ATOM 0 HB2 PRO A 15 66.983 37.181 -27.647 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.551 36.813 -26.707 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.699 37.558 -29.510 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.279 37.093 -28.596 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.905 39.732 -29.549 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.564 39.294 -28.510 1.00 1.24 H new ATOM 259 N ALA A 16 68.455 38.521 -25.968 1.00 1.32 N ATOM 260 CA ALA A 16 69.895 38.889 -25.833 1.00 1.21 C ATOM 261 C ALA A 16 70.643 38.677 -27.154 1.00 0.92 C ATOM 262 O ALA A 16 70.281 37.842 -27.961 1.00 1.02 O ATOM 263 CB ALA A 16 70.431 37.938 -24.761 1.00 1.58 C ATOM 0 H ALA A 16 68.207 37.607 -25.588 1.00 1.32 H new ATOM 0 HA ALA A 16 70.027 39.939 -25.571 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.490 38.137 -24.595 1.00 1.58 H new ATOM 0 HB2 ALA A 16 69.882 38.091 -23.832 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.303 36.907 -25.092 1.00 1.58 H new ATOM 269 N GLY A 17 71.696 39.421 -27.371 1.00 0.84 N ATOM 270 CA GLY A 17 72.487 39.260 -28.627 1.00 0.75 C ATOM 271 C GLY A 17 71.787 39.971 -29.786 1.00 0.63 C ATOM 272 O GLY A 17 72.222 39.907 -30.919 1.00 0.83 O ATOM 0 H GLY A 17 72.043 40.135 -26.731 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.488 39.670 -28.490 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.605 38.201 -28.858 1.00 0.75 H new ATOM 276 N LYS A 18 70.704 40.641 -29.516 1.00 0.60 N ATOM 277 CA LYS A 18 69.976 41.346 -30.609 1.00 0.58 C ATOM 278 C LYS A 18 69.996 42.861 -30.383 1.00 0.59 C ATOM 279 O LYS A 18 70.087 43.325 -29.264 1.00 0.88 O ATOM 280 CB LYS A 18 68.551 40.818 -30.518 1.00 0.71 C ATOM 281 CG LYS A 18 67.737 41.388 -31.668 1.00 1.60 C ATOM 282 CD LYS A 18 66.451 40.586 -31.805 1.00 2.39 C ATOM 283 CE LYS A 18 66.767 39.207 -32.389 1.00 2.98 C ATOM 284 NZ LYS A 18 65.625 38.336 -31.981 1.00 3.59 N ATOM 0 H LYS A 18 70.290 40.732 -28.588 1.00 0.60 H new ATOM 0 HA LYS A 18 70.427 41.170 -31.586 1.00 0.58 H new ATOM 0 HB2 LYS A 18 68.550 39.729 -30.560 1.00 0.71 H new ATOM 0 HB3 LYS A 18 68.105 41.101 -29.565 1.00 0.71 H new ATOM 0 HG2 LYS A 18 67.509 42.438 -31.485 1.00 1.60 H new ATOM 0 HG3 LYS A 18 68.310 41.343 -32.594 1.00 1.60 H new ATOM 0 HD2 LYS A 18 65.972 40.479 -30.832 1.00 2.39 H new ATOM 0 HD3 LYS A 18 65.748 41.113 -32.450 1.00 2.39 H new ATOM 0 HE2 LYS A 18 66.860 39.251 -33.474 1.00 2.98 H new ATOM 0 HE3 LYS A 18 67.712 38.823 -32.003 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.983 37.528 -31.433 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 64.962 38.884 -31.397 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 65.134 37.988 -32.829 1.00 3.59 H new ATOM 298 N ASN A 19 69.909 43.648 -31.432 1.00 0.40 N ATOM 299 CA ASN A 19 69.926 45.121 -31.258 1.00 0.50 C ATOM 300 C ASN A 19 69.111 45.784 -32.370 1.00 0.47 C ATOM 301 O ASN A 19 69.126 46.991 -32.518 1.00 0.60 O ATOM 302 CB ASN A 19 71.403 45.505 -31.371 1.00 0.65 C ATOM 303 CG ASN A 19 71.572 47.022 -31.246 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.791 47.684 -30.594 1.00 1.93 O ATOM 305 ND2 ASN A 19 72.576 47.603 -31.849 1.00 1.75 N ATOM 0 H ASN A 19 69.827 43.326 -32.396 1.00 0.40 H new ATOM 0 HA ASN A 19 69.491 45.440 -30.310 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.976 45.003 -30.591 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.801 45.166 -32.327 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.703 48.612 -31.771 1.00 1.75 H new ATOM 0 HD22 ASN A 19 73.233 47.047 -32.397 1.00 1.75 H new ATOM 312 N LEU A 20 68.396 45.022 -33.163 1.00 0.40 N ATOM 313 CA LEU A 20 67.610 45.661 -34.245 1.00 0.48 C ATOM 314 C LEU A 20 66.126 45.350 -34.104 1.00 0.38 C ATOM 315 O LEU A 20 65.680 44.705 -33.177 1.00 0.56 O ATOM 316 CB LEU A 20 68.101 45.062 -35.570 1.00 0.64 C ATOM 317 CG LEU A 20 69.595 44.766 -35.530 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.798 43.312 -35.935 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.324 45.678 -36.522 1.00 1.34 C ATOM 0 H LEU A 20 68.328 44.006 -33.105 1.00 0.40 H new ATOM 0 HA LEU A 20 67.741 46.742 -34.202 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.553 44.144 -35.781 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.888 45.754 -36.384 1.00 0.64 H new ATOM 0 HG LEU A 20 69.990 44.942 -34.530 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.861 43.074 -35.915 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.267 42.663 -35.239 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.411 43.157 -36.942 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.393 45.466 -36.493 1.00 1.34 H new ATOM 0 HD22 LEU A 20 69.945 45.498 -37.528 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.153 46.720 -36.251 1.00 1.34 H new ATOM 331 N CYS A 21 65.382 45.780 -35.069 1.00 0.29 N ATOM 332 CA CYS A 21 63.919 45.511 -35.082 1.00 0.31 C ATOM 333 C CYS A 21 63.533 45.081 -36.491 1.00 0.32 C ATOM 334 O CYS A 21 64.087 45.571 -37.458 1.00 0.49 O ATOM 335 CB CYS A 21 63.242 46.829 -34.705 1.00 0.44 C ATOM 336 SG CYS A 21 64.092 47.579 -33.293 1.00 0.57 S ATOM 0 H CYS A 21 65.725 46.316 -35.866 1.00 0.29 H new ATOM 0 HA CYS A 21 63.622 44.724 -34.389 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.258 47.512 -35.554 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.195 46.652 -34.458 1.00 0.44 H new ATOM 341 N TYR A 22 62.624 44.153 -36.641 1.00 0.30 N ATOM 342 CA TYR A 22 62.287 43.715 -38.020 1.00 0.31 C ATOM 343 C TYR A 22 60.787 43.701 -38.307 1.00 0.31 C ATOM 344 O TYR A 22 59.980 43.315 -37.485 1.00 0.41 O ATOM 345 CB TYR A 22 62.849 42.295 -38.144 1.00 0.36 C ATOM 346 CG TYR A 22 61.857 41.290 -37.596 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.707 41.122 -36.211 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.096 40.524 -38.479 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.792 40.182 -35.718 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.181 39.586 -37.986 1.00 0.63 C ATOM 351 CZ TYR A 22 60.028 39.415 -36.606 1.00 0.55 C ATOM 352 OH TYR A 22 59.125 38.489 -36.124 1.00 0.66 O ATOM 0 H TYR A 22 62.114 43.692 -35.888 1.00 0.30 H new ATOM 0 HA TYR A 22 62.711 44.415 -38.740 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.065 42.071 -39.189 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.791 42.220 -37.601 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.295 41.716 -35.527 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.213 40.655 -39.545 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.676 40.049 -34.652 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.593 38.994 -38.672 1.00 0.63 H new ATOM 0 HH TYR A 22 58.679 38.045 -36.875 1.00 0.66 H new ATOM 362 N LYS A 23 60.429 44.052 -39.508 1.00 0.39 N ATOM 363 CA LYS A 23 58.999 43.992 -39.918 1.00 0.44 C ATOM 364 C LYS A 23 58.910 43.022 -41.102 1.00 0.45 C ATOM 365 O LYS A 23 59.552 43.212 -42.122 1.00 0.54 O ATOM 366 CB LYS A 23 58.586 45.415 -40.309 1.00 0.56 C ATOM 367 CG LYS A 23 59.754 46.147 -40.960 1.00 1.11 C ATOM 368 CD LYS A 23 59.363 47.609 -41.186 1.00 1.49 C ATOM 369 CE LYS A 23 59.048 47.838 -42.665 1.00 1.72 C ATOM 370 NZ LYS A 23 59.404 49.264 -42.908 1.00 2.18 N ATOM 0 H LYS A 23 61.070 44.381 -40.230 1.00 0.39 H new ATOM 0 HA LYS A 23 58.335 43.639 -39.129 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.742 45.379 -40.997 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.254 45.960 -39.425 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.637 46.088 -40.324 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.012 45.676 -41.908 1.00 1.11 H new ATOM 0 HD2 LYS A 23 58.495 47.861 -40.577 1.00 1.49 H new ATOM 0 HD3 LYS A 23 60.175 48.265 -40.872 1.00 1.49 H new ATOM 0 HE2 LYS A 23 59.628 47.170 -43.302 1.00 1.72 H new ATOM 0 HE3 LYS A 23 57.996 47.650 -42.880 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 58.832 49.636 -43.693 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.216 49.820 -42.049 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 60.413 49.333 -43.151 1.00 2.18 H new ATOM 384 N MET A 24 58.174 41.951 -40.942 1.00 0.47 N ATOM 385 CA MET A 24 58.086 40.915 -42.018 1.00 0.53 C ATOM 386 C MET A 24 56.813 41.061 -42.861 1.00 0.53 C ATOM 387 O MET A 24 55.712 40.905 -42.372 1.00 0.59 O ATOM 388 CB MET A 24 58.073 39.594 -41.237 1.00 0.63 C ATOM 389 CG MET A 24 57.313 38.514 -42.011 1.00 0.99 C ATOM 390 SD MET A 24 58.027 36.897 -41.648 1.00 1.69 S ATOM 391 CE MET A 24 57.866 36.234 -43.319 1.00 2.37 C ATOM 0 H MET A 24 57.626 41.748 -40.106 1.00 0.47 H new ATOM 0 HA MET A 24 58.906 40.992 -42.732 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.096 39.265 -41.053 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.607 39.746 -40.263 1.00 0.63 H new ATOM 0 HG2 MET A 24 56.259 38.528 -41.735 1.00 0.99 H new ATOM 0 HG3 MET A 24 57.365 38.714 -43.081 1.00 0.99 H new ATOM 0 HE1 MET A 24 58.285 35.228 -43.353 1.00 2.37 H new ATOM 0 HE2 MET A 24 56.812 36.198 -43.596 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.403 36.875 -44.018 1.00 2.37 H new ATOM 401 N PHE A 25 56.959 41.319 -44.134 1.00 0.53 N ATOM 402 CA PHE A 25 55.757 41.427 -45.008 1.00 0.58 C ATOM 403 C PHE A 25 56.082 40.995 -46.433 1.00 0.50 C ATOM 404 O PHE A 25 57.092 40.371 -46.693 1.00 0.49 O ATOM 405 CB PHE A 25 55.336 42.890 -44.972 1.00 0.70 C ATOM 406 CG PHE A 25 56.531 43.793 -45.172 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.306 44.179 -44.073 1.00 0.78 C ATOM 408 CD2 PHE A 25 56.854 44.260 -46.454 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.405 45.026 -44.255 1.00 0.83 C ATOM 410 CE2 PHE A 25 57.951 45.110 -46.633 1.00 0.86 C ATOM 411 CZ PHE A 25 58.726 45.492 -45.534 1.00 0.70 C ATOM 0 H PHE A 25 57.854 41.459 -44.603 1.00 0.53 H new ATOM 0 HA PHE A 25 54.956 40.776 -44.658 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.596 43.080 -45.749 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.860 43.114 -44.017 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.056 43.823 -43.084 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.256 43.964 -47.303 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.006 45.320 -43.407 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.199 45.471 -47.620 1.00 0.86 H new ATOM 0 HZ PHE A 25 59.573 46.147 -45.673 1.00 0.70 H new ATOM 421 N MET A 26 55.229 41.321 -47.360 1.00 0.56 N ATOM 422 CA MET A 26 55.480 40.928 -48.773 1.00 0.61 C ATOM 423 C MET A 26 55.997 42.129 -49.570 1.00 0.69 C ATOM 424 O MET A 26 55.780 43.269 -49.207 1.00 1.30 O ATOM 425 CB MET A 26 54.119 40.471 -49.303 1.00 0.72 C ATOM 426 CG MET A 26 53.425 39.594 -48.256 1.00 0.91 C ATOM 427 SD MET A 26 54.462 38.158 -47.880 1.00 1.46 S ATOM 428 CE MET A 26 53.618 36.968 -48.953 1.00 1.96 C ATOM 0 H MET A 26 54.367 41.843 -47.201 1.00 0.56 H new ATOM 0 HA MET A 26 56.233 40.144 -48.860 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.499 41.337 -49.535 1.00 0.72 H new ATOM 0 HB3 MET A 26 54.248 39.914 -50.231 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.241 40.170 -47.349 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.454 39.266 -48.628 1.00 0.91 H new ATOM 0 HE1 MET A 26 54.105 35.996 -48.873 1.00 1.96 H new ATOM 0 HE2 MET A 26 52.576 36.878 -48.647 1.00 1.96 H new ATOM 0 HE3 MET A 26 53.664 37.313 -49.986 1.00 1.96 H new ATOM 438 N VAL A 27 56.675 41.885 -50.655 1.00 0.76 N ATOM 439 CA VAL A 27 57.199 43.018 -51.468 1.00 0.80 C ATOM 440 C VAL A 27 56.053 43.677 -52.238 1.00 0.91 C ATOM 441 O VAL A 27 56.212 44.726 -52.832 1.00 1.08 O ATOM 442 CB VAL A 27 58.212 42.392 -52.424 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.983 43.500 -53.140 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.197 41.527 -51.631 1.00 1.06 C ATOM 0 H VAL A 27 56.889 40.954 -51.014 1.00 0.76 H new ATOM 0 HA VAL A 27 57.658 43.794 -50.856 1.00 0.80 H new ATOM 0 HB VAL A 27 57.688 41.775 -53.154 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.707 43.056 -53.823 1.00 1.11 H new ATOM 0 HG12 VAL A 27 58.287 44.122 -53.703 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.506 44.113 -52.405 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.920 41.080 -52.313 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.720 42.146 -50.902 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.652 40.738 -51.112 1.00 1.06 H new ATOM 454 N ALA A 28 54.894 43.073 -52.220 1.00 0.94 N ATOM 455 CA ALA A 28 53.730 43.667 -52.935 1.00 1.10 C ATOM 456 C ALA A 28 53.154 44.811 -52.102 1.00 1.12 C ATOM 457 O ALA A 28 52.449 45.666 -52.601 1.00 1.33 O ATOM 458 CB ALA A 28 52.711 42.532 -53.063 1.00 1.15 C ATOM 0 H ALA A 28 54.705 42.193 -51.740 1.00 0.94 H new ATOM 0 HA ALA A 28 54.001 44.072 -53.910 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.824 42.896 -53.581 1.00 1.15 H new ATOM 0 HB2 ALA A 28 53.150 41.711 -53.629 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.432 42.180 -52.070 1.00 1.15 H new ATOM 464 N THR A 29 53.455 44.832 -50.830 1.00 1.00 N ATOM 465 CA THR A 29 52.935 45.919 -49.953 1.00 1.09 C ATOM 466 C THR A 29 53.991 46.313 -48.916 1.00 0.90 C ATOM 467 O THR A 29 53.802 46.113 -47.733 1.00 0.93 O ATOM 468 CB THR A 29 51.703 45.333 -49.263 1.00 1.33 C ATOM 469 OG1 THR A 29 51.022 46.367 -48.568 1.00 1.93 O ATOM 470 CG2 THR A 29 52.134 44.247 -48.274 1.00 1.85 C ATOM 0 H THR A 29 54.040 44.141 -50.361 1.00 1.00 H new ATOM 0 HA THR A 29 52.691 46.817 -50.520 1.00 1.09 H new ATOM 0 HB THR A 29 51.040 44.895 -50.009 1.00 1.33 H new ATOM 0 HG1 THR A 29 50.152 46.036 -48.260 1.00 1.93 H new ATOM 0 HG21 THR A 29 51.254 43.831 -47.784 1.00 1.85 H new ATOM 0 HG22 THR A 29 52.659 43.456 -48.809 1.00 1.85 H new ATOM 0 HG23 THR A 29 52.796 44.680 -47.524 1.00 1.85 H new ATOM 478 N PRO A 30 55.075 46.871 -49.392 1.00 0.99 N ATOM 479 CA PRO A 30 56.169 47.309 -48.495 1.00 1.03 C ATOM 480 C PRO A 30 55.679 48.417 -47.558 1.00 0.85 C ATOM 481 O PRO A 30 56.366 48.819 -46.640 1.00 0.90 O ATOM 482 CB PRO A 30 57.217 47.841 -49.479 1.00 1.44 C ATOM 483 CG PRO A 30 56.671 47.691 -50.914 1.00 1.67 C ATOM 484 CD PRO A 30 55.263 47.092 -50.845 1.00 1.36 C ATOM 0 HA PRO A 30 56.551 46.520 -47.847 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.438 48.887 -49.266 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.151 47.290 -49.371 1.00 1.44 H new ATOM 0 HG2 PRO A 30 56.645 48.661 -51.411 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.326 47.049 -51.502 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.514 47.771 -51.252 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.190 46.162 -51.409 1.00 1.36 H new ATOM 492 N LYS A 31 54.494 48.918 -47.786 1.00 0.96 N ATOM 493 CA LYS A 31 53.961 50.000 -46.913 1.00 1.02 C ATOM 494 C LYS A 31 52.996 49.423 -45.869 1.00 0.94 C ATOM 495 O LYS A 31 52.357 50.154 -45.138 1.00 1.09 O ATOM 496 CB LYS A 31 53.221 50.942 -47.865 1.00 1.39 C ATOM 497 CG LYS A 31 53.434 52.390 -47.417 1.00 1.90 C ATOM 498 CD LYS A 31 54.720 52.933 -48.043 1.00 2.38 C ATOM 499 CE LYS A 31 54.500 54.378 -48.496 1.00 2.81 C ATOM 500 NZ LYS A 31 55.612 54.657 -49.446 1.00 3.08 N ATOM 0 H LYS A 31 53.873 48.623 -48.540 1.00 0.96 H new ATOM 0 HA LYS A 31 54.750 50.510 -46.361 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.586 50.808 -48.883 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.157 50.705 -47.874 1.00 1.39 H new ATOM 0 HG2 LYS A 31 52.584 53.003 -47.716 1.00 1.90 H new ATOM 0 HG3 LYS A 31 53.497 52.440 -46.330 1.00 1.90 H new ATOM 0 HD2 LYS A 31 55.535 52.888 -47.321 1.00 2.38 H new ATOM 0 HD3 LYS A 31 55.012 52.315 -48.892 1.00 2.38 H new ATOM 0 HE2 LYS A 31 53.530 54.497 -48.978 1.00 2.81 H new ATOM 0 HE3 LYS A 31 54.522 55.065 -47.650 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 55.529 55.631 -49.801 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 56.523 54.542 -48.957 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 55.561 53.993 -50.244 1.00 3.08 H new ATOM 514 N VAL A 32 52.876 48.122 -45.794 1.00 0.83 N ATOM 515 CA VAL A 32 51.940 47.520 -44.798 1.00 0.87 C ATOM 516 C VAL A 32 52.549 46.258 -44.176 1.00 0.69 C ATOM 517 O VAL A 32 52.100 45.160 -44.448 1.00 0.70 O ATOM 518 CB VAL A 32 50.683 47.166 -45.594 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.517 46.931 -44.631 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.334 48.315 -46.543 1.00 1.72 C ATOM 0 H VAL A 32 53.382 47.454 -46.376 1.00 0.83 H new ATOM 0 HA VAL A 32 51.728 48.205 -43.977 1.00 0.87 H new ATOM 0 HB VAL A 32 50.867 46.261 -46.173 1.00 1.10 H new ATOM 0 HG11 VAL A 32 48.621 46.679 -45.199 1.00 1.65 H new ATOM 0 HG12 VAL A 32 49.762 46.111 -43.956 1.00 1.65 H new ATOM 0 HG13 VAL A 32 49.336 47.836 -44.051 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.438 48.060 -47.109 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.153 49.222 -45.966 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.162 48.483 -47.231 1.00 1.72 H new ATOM 530 N PRO A 33 53.549 46.448 -43.352 1.00 0.67 N ATOM 531 CA PRO A 33 54.211 45.306 -42.685 1.00 0.65 C ATOM 532 C PRO A 33 53.197 44.519 -41.848 1.00 0.67 C ATOM 533 O PRO A 33 52.334 45.089 -41.212 1.00 0.79 O ATOM 534 CB PRO A 33 55.274 45.990 -41.820 1.00 0.82 C ATOM 535 CG PRO A 33 55.187 47.512 -42.045 1.00 0.91 C ATOM 536 CD PRO A 33 54.059 47.801 -43.044 1.00 0.84 C ATOM 0 HA PRO A 33 54.642 44.575 -43.369 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.115 45.754 -40.768 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.267 45.625 -42.082 1.00 0.82 H new ATOM 0 HG2 PRO A 33 54.995 48.023 -41.101 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.135 47.892 -42.426 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.287 48.437 -42.611 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.427 48.309 -43.936 1.00 0.84 H new ATOM 544 N VAL A 34 53.272 43.211 -41.861 1.00 0.64 N ATOM 545 CA VAL A 34 52.286 42.411 -41.087 1.00 0.72 C ATOM 546 C VAL A 34 52.862 41.939 -39.745 1.00 0.63 C ATOM 547 O VAL A 34 52.156 41.872 -38.758 1.00 0.79 O ATOM 548 CB VAL A 34 51.918 41.232 -41.993 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.478 41.764 -43.359 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.119 40.311 -42.182 1.00 1.19 C ATOM 0 H VAL A 34 53.970 42.670 -42.372 1.00 0.64 H new ATOM 0 HA VAL A 34 51.409 43.003 -40.826 1.00 0.72 H new ATOM 0 HB VAL A 34 51.108 40.670 -41.528 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.215 40.928 -44.007 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.611 42.413 -43.235 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.294 42.330 -43.809 1.00 1.32 H new ATOM 0 HG21 VAL A 34 52.841 39.478 -42.828 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.936 40.868 -42.640 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.439 39.927 -41.213 1.00 1.19 H new ATOM 560 N LYS A 35 54.126 41.621 -39.683 1.00 0.46 N ATOM 561 CA LYS A 35 54.702 41.167 -38.385 1.00 0.45 C ATOM 562 C LYS A 35 55.699 42.201 -37.866 1.00 0.39 C ATOM 563 O LYS A 35 56.384 42.852 -38.630 1.00 0.51 O ATOM 564 CB LYS A 35 55.408 39.847 -38.688 1.00 0.59 C ATOM 565 CG LYS A 35 54.495 38.680 -38.297 1.00 0.90 C ATOM 566 CD LYS A 35 55.199 37.800 -37.260 1.00 1.38 C ATOM 567 CE LYS A 35 54.364 36.539 -37.003 1.00 1.90 C ATOM 568 NZ LYS A 35 54.789 35.568 -38.050 1.00 2.50 N ATOM 0 H LYS A 35 54.779 41.655 -40.466 1.00 0.46 H new ATOM 0 HA LYS A 35 53.936 41.044 -37.619 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.656 39.790 -39.748 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.347 39.789 -38.137 1.00 0.59 H new ATOM 0 HG2 LYS A 35 53.558 39.059 -37.890 1.00 0.90 H new ATOM 0 HG3 LYS A 35 54.244 38.090 -39.179 1.00 0.90 H new ATOM 0 HD2 LYS A 35 56.192 37.525 -37.616 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.335 38.354 -36.331 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.545 36.144 -36.003 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.297 36.752 -37.073 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 54.259 34.681 -37.936 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 54.598 35.967 -38.991 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 55.807 35.378 -37.954 1.00 2.50 H new ATOM 582 N ARG A 36 55.786 42.361 -36.578 1.00 0.34 N ATOM 583 CA ARG A 36 56.742 43.360 -36.025 1.00 0.33 C ATOM 584 C ARG A 36 57.441 42.814 -34.779 1.00 0.36 C ATOM 585 O ARG A 36 56.836 42.631 -33.741 1.00 0.42 O ATOM 586 CB ARG A 36 55.891 44.580 -35.687 1.00 0.37 C ATOM 587 CG ARG A 36 55.894 45.533 -36.884 1.00 0.54 C ATOM 588 CD ARG A 36 55.508 46.939 -36.424 1.00 0.83 C ATOM 589 NE ARG A 36 55.728 47.809 -37.609 1.00 0.89 N ATOM 590 CZ ARG A 36 55.358 49.061 -37.576 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.451 49.742 -36.466 1.00 1.27 N ATOM 592 NH2 ARG A 36 54.890 49.633 -38.653 1.00 1.76 N ATOM 0 H ARG A 36 55.241 41.847 -35.886 1.00 0.34 H new ATOM 0 HA ARG A 36 57.534 43.603 -36.734 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.872 44.275 -35.451 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.286 45.082 -34.804 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.881 45.549 -37.346 1.00 0.54 H new ATOM 0 HG3 ARG A 36 55.193 45.183 -37.642 1.00 0.54 H new ATOM 0 HD2 ARG A 36 54.469 46.975 -36.096 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.120 47.260 -35.581 1.00 0.83 H new ATOM 0 HE ARG A 36 56.168 47.428 -38.447 1.00 0.89 H new ATOM 0 HH11 ARG A 36 55.813 49.296 -35.623 1.00 1.27 H new ATOM 0 HH12 ARG A 36 55.162 50.720 -36.442 1.00 1.27 H new ATOM 0 HH21 ARG A 36 54.813 49.102 -39.520 1.00 1.76 H new ATOM 0 HH22 ARG A 36 54.601 50.611 -38.627 1.00 1.76 H new ATOM 606 N GLY A 37 58.717 42.550 -34.876 1.00 0.34 N ATOM 607 CA GLY A 37 59.464 42.023 -33.700 1.00 0.39 C ATOM 608 C GLY A 37 60.923 42.483 -33.771 1.00 0.38 C ATOM 609 O GLY A 37 61.246 43.446 -34.437 1.00 0.44 O ATOM 0 H GLY A 37 59.274 42.677 -35.721 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.005 42.376 -32.777 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.416 40.934 -33.684 1.00 0.39 H new ATOM 613 N CYS A 38 61.811 41.806 -33.091 1.00 0.40 N ATOM 614 CA CYS A 38 63.247 42.223 -33.125 1.00 0.41 C ATOM 615 C CYS A 38 64.088 41.245 -33.956 1.00 0.39 C ATOM 616 O CYS A 38 63.737 40.094 -34.121 1.00 0.42 O ATOM 617 CB CYS A 38 63.703 42.193 -31.663 1.00 0.52 C ATOM 618 SG CYS A 38 62.889 43.511 -30.733 1.00 1.14 S ATOM 0 H CYS A 38 61.608 40.988 -32.517 1.00 0.40 H new ATOM 0 HA CYS A 38 63.367 43.205 -33.582 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.467 41.225 -31.220 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.785 42.313 -31.609 1.00 0.52 H new ATOM 623 N ILE A 39 65.219 41.689 -34.460 1.00 0.38 N ATOM 624 CA ILE A 39 66.090 40.764 -35.249 1.00 0.39 C ATOM 625 C ILE A 39 67.576 40.987 -34.931 1.00 0.43 C ATOM 626 O ILE A 39 68.002 42.061 -34.521 1.00 0.48 O ATOM 627 CB ILE A 39 65.801 41.067 -36.731 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.744 40.079 -37.230 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.077 40.913 -37.576 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.758 39.998 -38.760 1.00 0.42 C ATOM 0 H ILE A 39 65.571 42.641 -34.359 1.00 0.38 H new ATOM 0 HA ILE A 39 65.876 39.724 -35.002 1.00 0.39 H new ATOM 0 HB ILE A 39 65.445 42.093 -36.826 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.933 39.092 -36.807 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.757 40.390 -36.886 1.00 0.39 H new ATOM 0 HG21 ILE A 39 66.851 41.131 -38.620 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.837 41.606 -37.217 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.448 39.892 -37.491 1.00 0.43 H new ATOM 0 HD11 ILE A 39 63.999 39.290 -39.094 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.546 40.982 -39.178 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.739 39.664 -39.098 1.00 0.42 H new ATOM 642 N ASP A 40 68.356 39.965 -35.162 1.00 0.48 N ATOM 643 CA ASP A 40 69.826 40.038 -34.943 1.00 0.56 C ATOM 644 C ASP A 40 70.521 39.846 -36.297 1.00 0.58 C ATOM 645 O ASP A 40 71.589 40.369 -36.548 1.00 0.67 O ATOM 646 CB ASP A 40 70.141 38.871 -34.007 1.00 0.67 C ATOM 647 CG ASP A 40 71.629 38.879 -33.658 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.328 39.752 -34.145 1.00 2.02 O ATOM 649 OD2 ASP A 40 72.045 38.010 -32.909 1.00 1.94 O ATOM 0 H ASP A 40 68.025 39.062 -35.502 1.00 0.48 H new ATOM 0 HA ASP A 40 70.159 40.986 -34.521 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.544 38.949 -33.098 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.874 37.928 -34.483 1.00 0.67 H new ATOM 654 N VAL A 41 69.891 39.103 -37.176 1.00 0.56 N ATOM 655 CA VAL A 41 70.458 38.862 -38.535 1.00 0.63 C ATOM 656 C VAL A 41 69.332 38.973 -39.570 1.00 0.58 C ATOM 657 O VAL A 41 68.535 38.073 -39.741 1.00 0.68 O ATOM 658 CB VAL A 41 71.032 37.441 -38.493 1.00 0.76 C ATOM 659 CG1 VAL A 41 69.899 36.420 -38.357 1.00 1.54 C ATOM 660 CG2 VAL A 41 71.812 37.165 -39.782 1.00 1.57 C ATOM 0 H VAL A 41 68.995 38.648 -37.003 1.00 0.56 H new ATOM 0 HA VAL A 41 71.228 39.583 -38.809 1.00 0.63 H new ATOM 0 HB VAL A 41 71.698 37.353 -37.635 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.317 35.414 -38.328 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.347 36.610 -37.437 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.225 36.508 -39.209 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.220 36.155 -39.751 1.00 1.57 H new ATOM 0 HG22 VAL A 41 71.145 37.261 -40.639 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.627 37.883 -39.875 1.00 1.57 H new ATOM 670 N CYS A 42 69.244 40.085 -40.246 1.00 0.72 N ATOM 671 CA CYS A 42 68.154 40.268 -41.250 1.00 0.76 C ATOM 672 C CYS A 42 68.252 39.211 -42.357 1.00 0.76 C ATOM 673 O CYS A 42 69.246 39.138 -43.052 1.00 0.90 O ATOM 674 CB CYS A 42 68.385 41.671 -41.816 1.00 1.00 C ATOM 675 SG CYS A 42 66.802 42.389 -42.317 1.00 1.13 S ATOM 0 H CYS A 42 69.880 40.877 -40.148 1.00 0.72 H new ATOM 0 HA CYS A 42 67.163 40.158 -40.810 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.862 42.303 -41.067 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.061 41.623 -42.670 1.00 1.00 H new ATOM 680 N PRO A 43 67.211 38.421 -42.495 1.00 0.70 N ATOM 681 CA PRO A 43 67.194 37.373 -43.536 1.00 0.80 C ATOM 682 C PRO A 43 67.391 37.988 -44.924 1.00 0.89 C ATOM 683 O PRO A 43 67.424 39.193 -45.081 1.00 0.97 O ATOM 684 CB PRO A 43 65.796 36.768 -43.382 1.00 0.80 C ATOM 685 CG PRO A 43 65.061 37.492 -42.240 1.00 0.72 C ATOM 686 CD PRO A 43 66.007 38.532 -41.632 1.00 0.65 C ATOM 0 HA PRO A 43 67.990 36.636 -43.432 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.238 36.868 -44.313 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.868 35.702 -43.167 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.159 37.975 -42.617 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.746 36.777 -41.480 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.579 39.534 -41.660 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.235 38.312 -40.589 1.00 0.65 H new ATOM 694 N LYS A 44 67.530 37.168 -45.926 1.00 1.04 N ATOM 695 CA LYS A 44 67.738 37.695 -47.306 1.00 1.19 C ATOM 696 C LYS A 44 66.444 38.301 -47.859 1.00 1.07 C ATOM 697 O LYS A 44 65.365 37.788 -47.642 1.00 1.52 O ATOM 698 CB LYS A 44 68.137 36.472 -48.133 1.00 1.53 C ATOM 699 CG LYS A 44 69.661 36.361 -48.187 1.00 2.08 C ATOM 700 CD LYS A 44 70.165 36.897 -49.529 1.00 2.77 C ATOM 701 CE LYS A 44 71.696 36.933 -49.526 1.00 3.61 C ATOM 702 NZ LYS A 44 72.113 35.636 -48.921 1.00 4.19 N ATOM 0 H LYS A 44 67.509 36.151 -45.850 1.00 1.04 H new ATOM 0 HA LYS A 44 68.490 38.483 -47.330 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.712 35.569 -47.693 1.00 1.53 H new ATOM 0 HB3 LYS A 44 67.733 36.556 -49.142 1.00 1.53 H new ATOM 0 HG2 LYS A 44 70.107 36.925 -47.368 1.00 2.08 H new ATOM 0 HG3 LYS A 44 69.965 35.322 -48.061 1.00 2.08 H new ATOM 0 HD2 LYS A 44 69.808 36.265 -50.342 1.00 2.77 H new ATOM 0 HD3 LYS A 44 69.768 37.897 -49.705 1.00 2.77 H new ATOM 0 HE2 LYS A 44 72.090 37.041 -50.537 1.00 3.61 H new ATOM 0 HE3 LYS A 44 72.070 37.777 -48.946 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 73.104 35.440 -49.169 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 72.019 35.689 -47.887 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 71.507 34.873 -49.285 1.00 4.19 H new ATOM 716 N SER A 45 66.551 39.377 -48.591 1.00 1.01 N ATOM 717 CA SER A 45 65.332 40.004 -49.181 1.00 0.93 C ATOM 718 C SER A 45 64.892 39.192 -50.404 1.00 0.94 C ATOM 719 O SER A 45 65.701 38.818 -51.228 1.00 1.20 O ATOM 720 CB SER A 45 65.769 41.410 -49.594 1.00 1.04 C ATOM 721 OG SER A 45 66.204 42.126 -48.445 1.00 1.64 O ATOM 0 H SER A 45 67.429 39.849 -48.806 1.00 1.01 H new ATOM 0 HA SER A 45 64.492 40.035 -48.488 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.574 41.352 -50.326 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.941 41.935 -50.071 1.00 1.04 H new ATOM 0 HG SER A 45 66.486 43.027 -48.708 1.00 1.64 H new ATOM 727 N SER A 46 63.626 38.898 -50.525 1.00 0.84 N ATOM 728 CA SER A 46 63.169 38.092 -51.695 1.00 1.02 C ATOM 729 C SER A 46 62.130 38.857 -52.521 1.00 1.10 C ATOM 730 O SER A 46 61.957 40.052 -52.378 1.00 1.66 O ATOM 731 CB SER A 46 62.550 36.835 -51.086 1.00 1.08 C ATOM 732 OG SER A 46 61.861 36.111 -52.098 1.00 1.49 O ATOM 0 H SER A 46 62.894 39.177 -49.872 1.00 0.84 H new ATOM 0 HA SER A 46 63.990 37.863 -52.375 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.327 36.212 -50.642 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.862 37.106 -50.285 1.00 1.08 H new ATOM 0 HG SER A 46 61.464 35.303 -51.710 1.00 1.49 H new ATOM 738 N LEU A 47 61.442 38.169 -53.392 1.00 1.13 N ATOM 739 CA LEU A 47 60.415 38.841 -54.242 1.00 1.25 C ATOM 740 C LEU A 47 59.032 38.742 -53.592 1.00 0.98 C ATOM 741 O LEU A 47 58.173 39.571 -53.816 1.00 1.23 O ATOM 742 CB LEU A 47 60.437 38.062 -55.556 1.00 1.60 C ATOM 743 CG LEU A 47 60.409 39.036 -56.732 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.682 38.860 -57.567 1.00 2.75 C ATOM 745 CD2 LEU A 47 59.184 38.735 -57.595 1.00 2.50 C ATOM 0 H LEU A 47 61.547 37.167 -53.552 1.00 1.13 H new ATOM 0 HA LEU A 47 60.623 39.902 -54.380 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.331 37.441 -55.607 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.580 37.391 -55.607 1.00 1.60 H new ATOM 0 HG LEU A 47 60.358 40.061 -56.365 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.665 39.554 -58.407 1.00 2.75 H new ATOM 0 HD12 LEU A 47 62.555 39.063 -56.947 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.733 37.838 -57.942 1.00 2.75 H new ATOM 0 HD21 LEU A 47 59.154 39.425 -58.438 1.00 2.50 H new ATOM 0 HD22 LEU A 47 59.243 37.712 -57.966 1.00 2.50 H new ATOM 0 HD23 LEU A 47 58.280 38.853 -56.997 1.00 2.50 H new ATOM 757 N LEU A 48 58.809 37.728 -52.801 1.00 0.79 N ATOM 758 CA LEU A 48 57.475 37.568 -52.146 1.00 0.85 C ATOM 759 C LEU A 48 57.577 37.815 -50.638 1.00 0.71 C ATOM 760 O LEU A 48 56.582 37.976 -49.959 1.00 0.92 O ATOM 761 CB LEU A 48 57.079 36.119 -52.413 1.00 1.16 C ATOM 762 CG LEU A 48 58.134 35.193 -51.811 1.00 1.67 C ATOM 763 CD1 LEU A 48 57.503 34.362 -50.693 1.00 2.36 C ATOM 764 CD2 LEU A 48 58.672 34.263 -52.899 1.00 2.47 C ATOM 0 H LEU A 48 59.491 37.003 -52.579 1.00 0.79 H new ATOM 0 HA LEU A 48 56.745 38.279 -52.534 1.00 0.85 H new ATOM 0 HB2 LEU A 48 56.102 35.910 -51.977 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.993 35.944 -53.485 1.00 1.16 H new ATOM 0 HG LEU A 48 58.952 35.787 -51.403 1.00 1.67 H new ATOM 0 HD11 LEU A 48 58.255 33.701 -50.263 1.00 2.36 H new ATOM 0 HD12 LEU A 48 57.118 35.026 -49.919 1.00 2.36 H new ATOM 0 HD13 LEU A 48 56.686 33.766 -51.099 1.00 2.36 H new ATOM 0 HD21 LEU A 48 59.425 33.601 -52.472 1.00 2.47 H new ATOM 0 HD22 LEU A 48 57.854 33.668 -53.306 1.00 2.47 H new ATOM 0 HD23 LEU A 48 59.120 34.856 -53.696 1.00 2.47 H new ATOM 776 N VAL A 49 58.768 37.851 -50.109 1.00 0.54 N ATOM 777 CA VAL A 49 58.927 38.093 -48.644 1.00 0.49 C ATOM 778 C VAL A 49 60.086 39.066 -48.407 1.00 0.42 C ATOM 779 O VAL A 49 61.201 38.838 -48.832 1.00 0.58 O ATOM 780 CB VAL A 49 59.201 36.715 -48.013 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.263 35.951 -48.812 1.00 0.99 C ATOM 782 CG2 VAL A 49 59.691 36.889 -46.570 1.00 1.13 C ATOM 0 H VAL A 49 59.638 37.724 -50.625 1.00 0.54 H new ATOM 0 HA VAL A 49 58.041 38.544 -48.198 1.00 0.49 H new ATOM 0 HB VAL A 49 58.271 36.147 -48.024 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.440 34.981 -48.347 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.914 35.806 -49.834 1.00 0.99 H new ATOM 0 HG13 VAL A 49 61.191 36.523 -48.823 1.00 0.99 H new ATOM 0 HG21 VAL A 49 59.883 35.910 -46.130 1.00 1.13 H new ATOM 0 HG22 VAL A 49 60.610 37.475 -46.566 1.00 1.13 H new ATOM 0 HG23 VAL A 49 58.929 37.406 -45.987 1.00 1.13 H new ATOM 792 N LYS A 50 59.816 40.161 -47.746 1.00 0.40 N ATOM 793 CA LYS A 50 60.882 41.176 -47.489 1.00 0.42 C ATOM 794 C LYS A 50 61.029 41.444 -45.985 1.00 0.44 C ATOM 795 O LYS A 50 60.055 41.538 -45.265 1.00 0.55 O ATOM 796 CB LYS A 50 60.377 42.436 -48.203 1.00 0.57 C ATOM 797 CG LYS A 50 61.547 43.183 -48.848 1.00 1.02 C ATOM 798 CD LYS A 50 61.053 43.918 -50.097 1.00 1.41 C ATOM 799 CE LYS A 50 61.425 45.402 -50.007 1.00 1.74 C ATOM 800 NZ LYS A 50 60.317 46.119 -50.700 1.00 2.40 N ATOM 0 H LYS A 50 58.898 40.398 -47.371 1.00 0.40 H new ATOM 0 HA LYS A 50 61.860 40.849 -47.843 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.646 42.163 -48.964 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.868 43.087 -47.492 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.975 43.893 -48.140 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.338 42.482 -49.114 1.00 1.02 H new ATOM 0 HD2 LYS A 50 61.496 43.476 -50.989 1.00 1.41 H new ATOM 0 HD3 LYS A 50 59.972 43.809 -50.191 1.00 1.41 H new ATOM 0 HE2 LYS A 50 61.516 45.724 -48.970 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.384 45.599 -50.487 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 60.389 47.138 -50.508 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 60.384 45.954 -51.725 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 59.403 45.765 -50.352 1.00 2.40 H new ATOM 814 N TYR A 51 62.239 41.586 -45.509 1.00 0.44 N ATOM 815 CA TYR A 51 62.439 41.869 -44.053 1.00 0.52 C ATOM 816 C TYR A 51 63.222 43.169 -43.868 1.00 0.45 C ATOM 817 O TYR A 51 64.316 43.318 -44.376 1.00 0.59 O ATOM 818 CB TYR A 51 63.280 40.720 -43.496 1.00 0.73 C ATOM 819 CG TYR A 51 62.566 39.403 -43.644 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.635 38.700 -44.851 1.00 0.69 C ATOM 821 CD2 TYR A 51 61.861 38.871 -42.559 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.994 37.463 -44.974 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.224 37.633 -42.681 1.00 1.19 C ATOM 824 CZ TYR A 51 61.290 36.929 -43.890 1.00 1.05 C ATOM 825 OH TYR A 51 60.671 35.705 -44.010 1.00 1.47 O ATOM 0 H TYR A 51 63.094 41.519 -46.061 1.00 0.44 H new ATOM 0 HA TYR A 51 61.477 41.962 -43.548 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.236 40.679 -44.018 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.499 40.902 -42.444 1.00 0.73 H new ATOM 0 HD1 TYR A 51 63.182 39.111 -45.686 1.00 0.69 H new ATOM 0 HD2 TYR A 51 61.809 39.416 -41.628 1.00 0.82 H new ATOM 0 HE1 TYR A 51 62.043 36.920 -45.906 1.00 0.76 H new ATOM 0 HE2 TYR A 51 60.681 37.220 -41.844 1.00 1.19 H new ATOM 0 HH TYR A 51 60.436 35.368 -43.120 1.00 1.47 H new ATOM 835 N VAL A 52 62.701 44.096 -43.113 1.00 0.44 N ATOM 836 CA VAL A 52 63.466 45.357 -42.875 1.00 0.49 C ATOM 837 C VAL A 52 64.068 45.305 -41.474 1.00 0.43 C ATOM 838 O VAL A 52 63.401 44.935 -40.532 1.00 0.56 O ATOM 839 CB VAL A 52 62.451 46.488 -42.969 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.120 47.807 -42.579 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.927 46.584 -44.399 1.00 0.82 C ATOM 0 H VAL A 52 61.791 44.039 -42.655 1.00 0.44 H new ATOM 0 HA VAL A 52 64.274 45.496 -43.593 1.00 0.49 H new ATOM 0 HB VAL A 52 61.621 46.289 -42.292 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.394 48.617 -42.646 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.493 47.738 -41.557 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.951 48.008 -43.255 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.200 47.394 -44.467 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.756 46.783 -45.078 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.450 45.644 -44.675 1.00 0.82 H new ATOM 851 N CYS A 53 65.320 45.649 -41.325 1.00 0.44 N ATOM 852 CA CYS A 53 65.944 45.584 -39.969 1.00 0.47 C ATOM 853 C CYS A 53 66.743 46.857 -39.658 1.00 0.46 C ATOM 854 O CYS A 53 67.489 47.354 -40.477 1.00 0.68 O ATOM 855 CB CYS A 53 66.871 44.370 -40.028 1.00 0.73 C ATOM 856 SG CYS A 53 65.931 42.921 -40.573 1.00 1.39 S ATOM 0 H CYS A 53 65.933 45.969 -42.075 1.00 0.44 H new ATOM 0 HA CYS A 53 65.194 45.501 -39.183 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.696 44.561 -40.715 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.309 44.185 -39.047 1.00 0.73 H new ATOM 861 N CYS A 54 66.592 47.380 -38.467 1.00 0.39 N ATOM 862 CA CYS A 54 67.346 48.616 -38.080 1.00 0.51 C ATOM 863 C CYS A 54 68.148 48.353 -36.801 1.00 0.48 C ATOM 864 O CYS A 54 67.693 47.663 -35.926 1.00 0.46 O ATOM 865 CB CYS A 54 66.264 49.668 -37.824 1.00 0.68 C ATOM 866 SG CYS A 54 65.024 48.982 -36.698 1.00 1.08 S ATOM 0 H CYS A 54 65.978 47.005 -37.744 1.00 0.39 H new ATOM 0 HA CYS A 54 68.053 48.934 -38.846 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.707 50.566 -37.393 1.00 0.68 H new ATOM 0 HB3 CYS A 54 65.796 49.963 -38.764 1.00 0.68 H new ATOM 871 N ASN A 55 69.321 48.919 -36.672 1.00 0.52 N ATOM 872 CA ASN A 55 70.130 48.695 -35.429 1.00 0.55 C ATOM 873 C ASN A 55 69.770 49.770 -34.417 1.00 0.54 C ATOM 874 O ASN A 55 70.553 50.648 -34.112 1.00 0.61 O ATOM 875 CB ASN A 55 71.591 48.848 -35.865 1.00 0.67 C ATOM 876 CG ASN A 55 71.759 50.161 -36.640 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.280 50.139 -37.836 1.00 2.23 O flip ATOM 878 ND2 ASN A 55 71.413 51.218 -36.153 1.00 2.32 N flip ATOM 0 H ASN A 55 69.755 49.525 -37.369 1.00 0.52 H new ATOM 0 HA ASN A 55 69.950 47.721 -34.974 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.244 48.842 -34.993 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.885 48.005 -36.489 1.00 0.67 H new ATOM 0 HD21 ASN A 55 71.005 51.240 -35.218 1.00 2.32 H new ATOM 0 HD22 ASN A 55 71.530 52.084 -36.679 1.00 2.32 H new ATOM 885 N THR A 56 68.573 49.726 -33.916 1.00 0.49 N ATOM 886 CA THR A 56 68.155 50.781 -32.947 1.00 0.50 C ATOM 887 C THR A 56 67.131 50.275 -31.935 1.00 0.48 C ATOM 888 O THR A 56 66.450 49.290 -32.152 1.00 0.57 O ATOM 889 CB THR A 56 67.543 51.883 -33.810 1.00 0.54 C ATOM 890 OG1 THR A 56 67.967 51.724 -35.156 1.00 1.15 O ATOM 891 CG2 THR A 56 67.992 53.247 -33.288 1.00 1.16 C ATOM 0 H THR A 56 67.871 49.018 -34.128 1.00 0.49 H new ATOM 0 HA THR A 56 69.005 51.122 -32.355 1.00 0.50 H new ATOM 0 HB THR A 56 66.456 51.818 -33.765 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.422 51.036 -35.592 1.00 1.15 H new ATOM 0 HG21 THR A 56 67.556 54.034 -33.903 1.00 1.16 H new ATOM 0 HG22 THR A 56 67.662 53.368 -32.256 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.079 53.313 -33.331 1.00 1.16 H new ATOM 899 N ASP A 57 66.978 50.991 -30.853 1.00 0.58 N ATOM 900 CA ASP A 57 65.955 50.618 -29.838 1.00 0.60 C ATOM 901 C ASP A 57 64.644 51.284 -30.251 1.00 0.59 C ATOM 902 O ASP A 57 64.491 52.482 -30.113 1.00 0.72 O ATOM 903 CB ASP A 57 66.469 51.196 -28.516 1.00 0.71 C ATOM 904 CG ASP A 57 65.483 50.874 -27.388 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.459 51.533 -27.316 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.773 49.977 -26.613 1.00 1.47 O ATOM 0 H ASP A 57 67.523 51.824 -30.629 1.00 0.58 H new ATOM 0 HA ASP A 57 65.789 49.544 -29.748 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.449 50.780 -28.284 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.594 52.275 -28.605 1.00 0.71 H new ATOM 911 N ARG A 58 63.723 50.527 -30.802 1.00 0.56 N ATOM 912 CA ARG A 58 62.427 51.102 -31.285 1.00 0.61 C ATOM 913 C ARG A 58 62.645 51.676 -32.688 1.00 0.60 C ATOM 914 O ARG A 58 62.791 52.870 -32.857 1.00 0.87 O ATOM 915 CB ARG A 58 62.043 52.209 -30.293 1.00 0.73 C ATOM 916 CG ARG A 58 60.539 52.165 -30.042 1.00 0.93 C ATOM 917 CD ARG A 58 59.816 52.550 -31.332 1.00 1.16 C ATOM 918 NE ARG A 58 58.514 53.128 -30.897 1.00 1.10 N ATOM 919 CZ ARG A 58 58.381 54.422 -30.757 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.395 55.201 -31.804 1.00 1.91 N ATOM 921 NH2 ARG A 58 58.228 54.936 -29.567 1.00 1.52 N ATOM 0 H ARG A 58 63.817 49.521 -30.939 1.00 0.56 H new ATOM 0 HA ARG A 58 61.634 50.356 -31.340 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.583 52.076 -29.356 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.328 53.183 -30.690 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.238 51.167 -29.723 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.270 52.851 -29.239 1.00 0.93 H new ATOM 0 HD2 ARG A 58 60.395 53.273 -31.906 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.666 51.681 -31.973 1.00 1.16 H new ATOM 0 HE ARG A 58 57.723 52.513 -30.708 1.00 1.10 H new ATOM 0 HH11 ARG A 58 58.510 54.801 -32.735 1.00 1.91 H new ATOM 0 HH12 ARG A 58 58.291 56.209 -31.691 1.00 1.91 H new ATOM 0 HH21 ARG A 58 58.212 54.329 -28.747 1.00 1.52 H new ATOM 0 HH22 ARG A 58 58.124 55.945 -29.457 1.00 1.52 H new ATOM 935 N CYS A 59 62.702 50.837 -33.697 1.00 0.44 N ATOM 936 CA CYS A 59 62.950 51.365 -35.073 1.00 0.47 C ATOM 937 C CYS A 59 62.514 50.381 -36.171 1.00 0.60 C ATOM 938 O CYS A 59 62.876 50.565 -37.316 1.00 1.14 O ATOM 939 CB CYS A 59 64.473 51.557 -35.138 1.00 0.42 C ATOM 940 SG CYS A 59 65.310 49.956 -34.945 1.00 0.84 S ATOM 0 H CYS A 59 62.589 49.826 -33.628 1.00 0.44 H new ATOM 0 HA CYS A 59 62.380 52.278 -35.246 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.750 52.009 -36.090 1.00 0.42 H new ATOM 0 HB3 CYS A 59 64.795 52.242 -34.354 1.00 0.42 H new ATOM 945 N ASN A 60 61.780 49.336 -35.847 1.00 0.52 N ATOM 946 CA ASN A 60 61.373 48.342 -36.905 1.00 0.55 C ATOM 947 C ASN A 60 61.206 49.022 -38.267 1.00 0.71 C ATOM 948 O ASN A 60 60.554 50.052 -38.316 1.00 1.39 O ATOM 949 CB ASN A 60 60.029 47.761 -36.462 1.00 0.41 C ATOM 950 CG ASN A 60 60.148 47.111 -35.089 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.484 47.762 -34.124 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.888 45.838 -34.962 1.00 0.40 N ATOM 953 OXT ASN A 60 61.735 48.502 -39.235 1.00 1.25 O ATOM 0 H ASN A 60 61.447 49.128 -34.905 1.00 0.52 H new ATOM 0 HA ASN A 60 62.137 47.572 -37.014 1.00 0.55 H new ATOM 0 HB2 ASN A 60 59.278 48.551 -36.432 1.00 0.41 H new ATOM 0 HB3 ASN A 60 59.688 47.025 -37.190 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.968 45.390 -34.049 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.605 45.292 -35.776 1.00 0.40 H new TER 960 ASN A 60