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 Single : A 1 LEU N :NH3+ 148:sc= -0.89 (180deg=-3.36!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -3.65! F(o=-4.9,f=-3.6!) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0.259 (180deg=-0.183) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 138:sc= -0.0129 (180deg=-0.269) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -2.11! (180deg=-3.44!) USER MOD Single : A 19 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= -0.0328 (180deg=-0.372) USER MOD Single : A 24 MET CE :methyl -117:sc= -3.73! (180deg=-8.57!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 35:sc= 0.515 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.739) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 55 ASN :FLIP amide:sc= -1.21! C(o=-2.5!,f=-1.2!) USER MOD Single : A 56 THR OG1 : rot 173:sc= -3.48! USER MOD Single : A 60 ASN : amide:sc= -8.24! C(o=-8.2!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 67.357 45.525 -25.815 1.00 1.26 N ATOM 2 CA LEU A 1 66.513 46.754 -25.951 1.00 0.65 C ATOM 3 C LEU A 1 65.077 46.383 -26.348 1.00 0.58 C ATOM 4 O LEU A 1 64.635 45.271 -26.144 1.00 0.77 O ATOM 5 CB LEU A 1 67.176 47.619 -27.038 1.00 1.19 C ATOM 6 CG LEU A 1 67.785 46.758 -28.152 1.00 1.07 C ATOM 7 CD1 LEU A 1 67.028 47.002 -29.461 1.00 1.38 C ATOM 8 CD2 LEU A 1 69.247 47.160 -28.325 1.00 1.53 C ATOM 0 H1 LEU A 1 68.337 45.745 -26.084 1.00 1.26 H new ATOM 0 H2 LEU A 1 67.334 45.196 -24.829 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.987 44.779 -26.438 1.00 1.26 H new ATOM 0 HA LEU A 1 66.449 47.295 -25.007 1.00 0.65 H new ATOM 0 HB2 LEU A 1 66.437 48.297 -27.465 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.954 48.236 -26.588 1.00 1.19 H new ATOM 0 HG LEU A 1 67.713 45.702 -27.892 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.462 46.390 -30.252 1.00 1.38 H new ATOM 0 HD12 LEU A 1 65.979 46.736 -29.330 1.00 1.38 H new ATOM 0 HD13 LEU A 1 67.104 48.054 -29.734 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.699 46.558 -29.114 1.00 1.53 H new ATOM 0 HD22 LEU A 1 69.305 48.215 -28.595 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.783 46.994 -27.390 1.00 1.53 H new ATOM 22 N LYS A 2 64.348 47.313 -26.910 1.00 0.45 N ATOM 23 CA LYS A 2 62.937 47.024 -27.319 1.00 0.53 C ATOM 24 C LYS A 2 62.677 47.575 -28.731 1.00 0.43 C ATOM 25 O LYS A 2 63.482 48.300 -29.278 1.00 0.59 O ATOM 26 CB LYS A 2 62.064 47.734 -26.274 1.00 0.71 C ATOM 27 CG LYS A 2 62.016 49.235 -26.562 1.00 1.14 C ATOM 28 CD LYS A 2 62.001 50.006 -25.239 1.00 1.23 C ATOM 29 CE LYS A 2 62.852 51.269 -25.378 1.00 1.98 C ATOM 30 NZ LYS A 2 62.625 52.028 -24.116 1.00 2.63 N ATOM 0 H LYS A 2 64.668 48.262 -27.104 1.00 0.45 H new ATOM 0 HA LYS A 2 62.721 45.956 -27.356 1.00 0.53 H new ATOM 0 HB2 LYS A 2 61.056 47.320 -26.290 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.465 47.560 -25.275 1.00 0.71 H new ATOM 0 HG2 LYS A 2 62.880 49.530 -27.158 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.128 49.476 -27.146 1.00 1.14 H new ATOM 0 HD2 LYS A 2 60.978 50.271 -24.971 1.00 1.23 H new ATOM 0 HD3 LYS A 2 62.389 49.379 -24.436 1.00 1.23 H new ATOM 0 HE2 LYS A 2 63.906 51.023 -25.506 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.553 51.853 -26.249 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 63.177 52.909 -24.137 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 61.614 52.255 -24.024 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 62.925 51.451 -23.305 1.00 2.63 H new ATOM 44 N CYS A 3 61.569 47.222 -29.337 1.00 0.40 N ATOM 45 CA CYS A 3 61.287 47.718 -30.720 1.00 0.40 C ATOM 46 C CYS A 3 59.786 47.926 -30.936 1.00 0.40 C ATOM 47 O CYS A 3 58.963 47.223 -30.385 1.00 0.44 O ATOM 48 CB CYS A 3 61.792 46.610 -31.638 1.00 0.54 C ATOM 49 SG CYS A 3 63.551 46.840 -31.949 1.00 0.68 S ATOM 0 H CYS A 3 60.853 46.616 -28.937 1.00 0.40 H new ATOM 0 HA CYS A 3 61.767 48.678 -30.909 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.617 45.636 -31.180 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.241 46.623 -32.578 1.00 0.54 H new ATOM 54 N ASN A 4 59.424 48.869 -31.761 1.00 0.43 N ATOM 55 CA ASN A 4 57.983 49.109 -32.041 1.00 0.49 C ATOM 56 C ASN A 4 57.306 47.775 -32.340 1.00 0.49 C ATOM 57 O ASN A 4 57.813 46.978 -33.101 1.00 0.55 O ATOM 58 CB ASN A 4 57.983 49.984 -33.284 1.00 0.60 C ATOM 59 CG ASN A 4 57.923 51.457 -32.891 1.00 0.99 C ATOM 60 OD1 ASN A 4 57.080 51.842 -31.978 1.00 1.93 O flip ATOM 61 ND2 ASN A 4 58.659 52.266 -33.421 1.00 1.09 N flip ATOM 0 H ASN A 4 60.069 49.486 -32.255 1.00 0.43 H new ATOM 0 HA ASN A 4 57.454 49.573 -31.209 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.881 49.793 -33.872 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.130 49.733 -33.914 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.319 51.962 -34.137 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.616 53.248 -33.150 1.00 1.09 H new ATOM 68 N LYS A 5 56.166 47.522 -31.768 1.00 0.52 N ATOM 69 CA LYS A 5 55.493 46.240 -32.050 1.00 0.60 C ATOM 70 C LYS A 5 54.573 46.441 -33.262 1.00 0.71 C ATOM 71 O LYS A 5 54.517 47.513 -33.829 1.00 1.48 O ATOM 72 CB LYS A 5 54.761 45.885 -30.732 1.00 0.68 C ATOM 73 CG LYS A 5 53.244 45.929 -30.872 1.00 1.03 C ATOM 74 CD LYS A 5 52.706 44.507 -30.928 1.00 1.48 C ATOM 75 CE LYS A 5 52.867 43.852 -29.553 1.00 1.84 C ATOM 76 NZ LYS A 5 51.506 43.376 -29.181 1.00 2.49 N ATOM 0 H LYS A 5 55.679 48.145 -31.124 1.00 0.52 H new ATOM 0 HA LYS A 5 56.152 45.415 -32.320 1.00 0.60 H new ATOM 0 HB2 LYS A 5 55.063 44.888 -30.410 1.00 0.68 H new ATOM 0 HB3 LYS A 5 55.070 46.580 -29.951 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.804 46.464 -30.030 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.966 46.472 -31.775 1.00 1.03 H new ATOM 0 HD2 LYS A 5 51.656 44.514 -31.220 1.00 1.48 H new ATOM 0 HD3 LYS A 5 53.243 43.932 -31.683 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.576 43.025 -29.592 1.00 1.84 H new ATOM 0 HE3 LYS A 5 53.248 44.564 -28.821 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.577 42.705 -28.389 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 50.920 44.187 -28.896 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.069 42.903 -29.997 1.00 2.49 H new ATOM 90 N LEU A 6 53.881 45.431 -33.683 1.00 0.53 N ATOM 91 CA LEU A 6 53.001 45.584 -34.876 1.00 0.57 C ATOM 92 C LEU A 6 52.111 46.838 -34.765 1.00 0.62 C ATOM 93 O LEU A 6 51.868 47.510 -35.746 1.00 0.72 O ATOM 94 CB LEU A 6 52.192 44.294 -34.903 1.00 0.59 C ATOM 95 CG LEU A 6 52.580 43.473 -36.129 1.00 0.70 C ATOM 96 CD1 LEU A 6 52.436 41.982 -35.820 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.661 43.844 -37.288 1.00 0.78 C ATOM 0 H LEU A 6 53.882 44.504 -33.258 1.00 0.53 H new ATOM 0 HA LEU A 6 53.561 45.731 -35.800 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.375 43.719 -33.995 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.126 44.521 -34.927 1.00 0.59 H new ATOM 0 HG LEU A 6 53.615 43.684 -36.396 1.00 0.70 H new ATOM 0 HD11 LEU A 6 52.714 41.400 -36.699 1.00 1.22 H new ATOM 0 HD12 LEU A 6 53.089 41.718 -34.988 1.00 1.22 H new ATOM 0 HD13 LEU A 6 51.402 41.764 -35.553 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.932 43.261 -38.168 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.627 43.630 -37.016 1.00 0.78 H new ATOM 0 HD23 LEU A 6 51.766 44.906 -37.510 1.00 0.78 H new ATOM 109 N VAL A 7 51.639 47.167 -33.590 1.00 0.61 N ATOM 110 CA VAL A 7 50.794 48.387 -33.438 1.00 0.71 C ATOM 111 C VAL A 7 51.666 49.558 -32.950 1.00 0.70 C ATOM 112 O VAL A 7 52.523 49.370 -32.107 1.00 0.62 O ATOM 113 CB VAL A 7 49.753 48.003 -32.389 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.678 49.090 -32.295 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.111 46.678 -32.800 1.00 0.79 C ATOM 0 H VAL A 7 51.803 46.643 -32.730 1.00 0.61 H new ATOM 0 HA VAL A 7 50.328 48.706 -34.370 1.00 0.71 H new ATOM 0 HB VAL A 7 50.232 47.900 -31.415 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.940 48.808 -31.544 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.140 50.035 -32.012 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.188 49.201 -33.262 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.364 46.390 -32.060 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.632 46.792 -33.773 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.878 45.906 -32.861 1.00 0.79 H new ATOM 125 N PRO A 8 51.430 50.731 -33.494 1.00 0.84 N ATOM 126 CA PRO A 8 52.216 51.939 -33.107 1.00 0.91 C ATOM 127 C PRO A 8 51.922 52.390 -31.665 1.00 0.92 C ATOM 128 O PRO A 8 52.302 53.474 -31.265 1.00 1.21 O ATOM 129 CB PRO A 8 51.713 52.993 -34.100 1.00 1.09 C ATOM 130 CG PRO A 8 50.638 52.356 -35.001 1.00 1.12 C ATOM 131 CD PRO A 8 50.387 50.916 -34.527 1.00 0.97 C ATOM 0 HA PRO A 8 53.291 51.763 -33.138 1.00 0.91 H new ATOM 0 HB2 PRO A 8 51.299 53.848 -33.565 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.539 53.366 -34.705 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.716 52.935 -34.955 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.966 52.360 -36.041 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.384 50.793 -34.118 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.490 50.198 -35.340 1.00 0.97 H new ATOM 139 N LEU A 9 51.248 51.592 -30.885 1.00 0.78 N ATOM 140 CA LEU A 9 50.943 52.004 -29.494 1.00 0.82 C ATOM 141 C LEU A 9 51.948 51.380 -28.513 1.00 0.72 C ATOM 142 O LEU A 9 52.401 52.023 -27.586 1.00 0.84 O ATOM 143 CB LEU A 9 49.524 51.482 -29.239 1.00 0.87 C ATOM 144 CG LEU A 9 48.514 52.607 -29.471 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.154 52.011 -29.846 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.375 53.426 -28.185 1.00 1.60 C ATOM 0 H LEU A 9 50.897 50.673 -31.154 1.00 0.78 H new ATOM 0 HA LEU A 9 51.012 53.083 -29.353 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.309 50.644 -29.902 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.441 51.110 -28.218 1.00 0.87 H new ATOM 0 HG LEU A 9 48.860 53.248 -30.282 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.437 52.815 -30.010 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.254 51.422 -30.758 1.00 1.82 H new ATOM 0 HD13 LEU A 9 46.802 51.371 -29.037 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.656 54.231 -28.342 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.027 52.781 -27.378 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.343 53.851 -27.918 1.00 1.60 H new ATOM 158 N PHE A 10 52.301 50.135 -28.706 1.00 0.57 N ATOM 159 CA PHE A 10 53.273 49.477 -27.773 1.00 0.55 C ATOM 160 C PHE A 10 54.442 48.874 -28.557 1.00 0.49 C ATOM 161 O PHE A 10 54.495 48.946 -29.767 1.00 0.52 O ATOM 162 CB PHE A 10 52.496 48.363 -27.039 1.00 0.62 C ATOM 163 CG PHE A 10 51.237 47.986 -27.792 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.168 48.884 -27.845 1.00 0.75 C ATOM 165 CD2 PHE A 10 51.138 46.742 -28.431 1.00 0.77 C ATOM 166 CE1 PHE A 10 48.999 48.546 -28.536 1.00 0.89 C ATOM 167 CE2 PHE A 10 49.969 46.403 -29.121 1.00 0.92 C ATOM 168 CZ PHE A 10 48.900 47.305 -29.173 1.00 0.94 C ATOM 0 H PHE A 10 51.961 49.545 -29.466 1.00 0.57 H new ATOM 0 HA PHE A 10 53.687 50.199 -27.070 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.132 47.485 -26.927 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.236 48.698 -26.035 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.244 49.842 -27.351 1.00 0.75 H new ATOM 0 HD2 PHE A 10 51.963 46.046 -28.391 1.00 0.77 H new ATOM 0 HE1 PHE A 10 48.175 49.242 -28.577 1.00 0.89 H new ATOM 0 HE2 PHE A 10 49.891 45.445 -29.614 1.00 0.92 H new ATOM 0 HZ PHE A 10 47.998 47.042 -29.706 1.00 0.94 H new ATOM 178 N TYR A 11 55.379 48.272 -27.870 1.00 0.47 N ATOM 179 CA TYR A 11 56.542 47.658 -28.570 1.00 0.44 C ATOM 180 C TYR A 11 56.857 46.283 -27.987 1.00 0.49 C ATOM 181 O TYR A 11 56.269 45.859 -27.010 1.00 0.62 O ATOM 182 CB TYR A 11 57.712 48.615 -28.353 1.00 0.42 C ATOM 183 CG TYR A 11 57.727 49.104 -26.924 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.676 48.184 -25.867 1.00 0.70 C ATOM 185 CD2 TYR A 11 57.790 50.475 -26.652 1.00 0.69 C ATOM 186 CE1 TYR A 11 57.689 48.634 -24.547 1.00 0.76 C ATOM 187 CE2 TYR A 11 57.804 50.925 -25.325 1.00 0.80 C ATOM 188 CZ TYR A 11 57.753 50.005 -24.274 1.00 0.67 C ATOM 189 OH TYR A 11 57.761 50.443 -22.971 1.00 0.83 O ATOM 0 H TYR A 11 55.387 48.180 -26.854 1.00 0.47 H new ATOM 0 HA TYR A 11 56.337 47.511 -29.630 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.651 48.111 -28.583 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.630 49.462 -29.034 1.00 0.42 H new ATOM 0 HD1 TYR A 11 57.627 47.125 -26.075 1.00 0.70 H new ATOM 0 HD2 TYR A 11 57.828 51.186 -27.464 1.00 0.69 H new ATOM 0 HE1 TYR A 11 57.650 47.924 -23.735 1.00 0.76 H new ATOM 0 HE2 TYR A 11 57.854 51.983 -25.114 1.00 0.80 H new ATOM 0 HH TYR A 11 57.810 51.422 -22.955 1.00 0.83 H new ATOM 199 N LYS A 12 57.790 45.591 -28.568 1.00 0.50 N ATOM 200 CA LYS A 12 58.159 44.254 -28.037 1.00 0.59 C ATOM 201 C LYS A 12 59.602 44.302 -27.527 1.00 0.49 C ATOM 202 O LYS A 12 60.288 45.292 -27.692 1.00 0.49 O ATOM 203 CB LYS A 12 58.023 43.300 -29.224 1.00 0.74 C ATOM 204 CG LYS A 12 58.353 41.877 -28.774 1.00 1.20 C ATOM 205 CD LYS A 12 57.506 40.886 -29.566 1.00 1.50 C ATOM 206 CE LYS A 12 56.718 40.006 -28.594 1.00 1.68 C ATOM 207 NZ LYS A 12 55.685 40.904 -28.002 1.00 2.19 N ATOM 0 H LYS A 12 58.314 45.893 -29.389 1.00 0.50 H new ATOM 0 HA LYS A 12 57.531 43.935 -27.205 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.009 43.341 -29.623 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.694 43.604 -30.027 1.00 0.74 H new ATOM 0 HG2 LYS A 12 59.412 41.671 -28.928 1.00 1.20 H new ATOM 0 HG3 LYS A 12 58.159 41.767 -27.707 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.823 41.420 -30.227 1.00 1.50 H new ATOM 0 HD3 LYS A 12 58.144 40.269 -30.198 1.00 1.50 H new ATOM 0 HE2 LYS A 12 56.258 39.163 -29.110 1.00 1.68 H new ATOM 0 HE3 LYS A 12 57.368 39.591 -27.823 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 54.778 40.399 -27.945 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 55.981 41.192 -27.048 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 55.575 41.748 -28.600 1.00 2.19 H new ATOM 221 N THR A 13 60.069 43.259 -26.904 1.00 0.64 N ATOM 222 CA THR A 13 61.467 43.271 -26.385 1.00 0.62 C ATOM 223 C THR A 13 62.388 42.455 -27.295 1.00 0.66 C ATOM 224 O THR A 13 62.056 41.361 -27.710 1.00 0.75 O ATOM 225 CB THR A 13 61.379 42.620 -25.002 1.00 0.70 C ATOM 226 OG1 THR A 13 60.620 43.451 -24.132 1.00 1.06 O ATOM 227 CG2 THR A 13 62.791 42.431 -24.440 1.00 1.08 C ATOM 0 H THR A 13 59.547 42.400 -26.731 1.00 0.64 H new ATOM 0 HA THR A 13 61.877 44.280 -26.344 1.00 0.62 H new ATOM 0 HB THR A 13 60.890 41.649 -25.085 1.00 0.70 H new ATOM 0 HG1 THR A 13 60.563 43.033 -23.248 1.00 1.06 H new ATOM 0 HG21 THR A 13 62.732 41.968 -23.455 1.00 1.08 H new ATOM 0 HG22 THR A 13 63.366 41.790 -25.108 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.282 43.401 -24.356 1.00 1.08 H new ATOM 235 N CYS A 14 63.547 42.972 -27.600 1.00 0.65 N ATOM 236 CA CYS A 14 64.495 42.221 -28.473 1.00 0.76 C ATOM 237 C CYS A 14 65.467 41.412 -27.601 1.00 0.87 C ATOM 238 O CYS A 14 66.216 41.975 -26.829 1.00 0.99 O ATOM 239 CB CYS A 14 65.238 43.287 -29.277 1.00 0.75 C ATOM 240 SG CYS A 14 64.059 44.500 -29.927 1.00 1.34 S ATOM 0 H CYS A 14 63.879 43.883 -27.282 1.00 0.65 H new ATOM 0 HA CYS A 14 63.988 41.514 -29.130 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.974 43.784 -28.645 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.784 42.822 -30.097 1.00 0.75 H new ATOM 245 N PRO A 15 65.406 40.109 -27.741 1.00 1.06 N ATOM 246 CA PRO A 15 66.265 39.206 -26.942 1.00 1.31 C ATOM 247 C PRO A 15 67.756 39.497 -27.163 1.00 1.16 C ATOM 248 O PRO A 15 68.137 40.225 -28.059 1.00 1.40 O ATOM 249 CB PRO A 15 65.886 37.826 -27.484 1.00 1.54 C ATOM 250 CG PRO A 15 64.833 37.995 -28.590 1.00 1.54 C ATOM 251 CD PRO A 15 64.471 39.473 -28.697 1.00 1.24 C ATOM 0 HA PRO A 15 66.117 39.312 -25.867 1.00 1.31 H new ATOM 0 HB2 PRO A 15 66.768 37.321 -27.878 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.493 37.201 -26.682 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.222 37.631 -29.541 1.00 1.54 H new ATOM 0 HG3 PRO A 15 63.946 37.404 -28.361 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.609 39.851 -29.710 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.431 39.655 -28.428 1.00 1.24 H new ATOM 259 N ALA A 16 68.599 38.927 -26.342 1.00 1.32 N ATOM 260 CA ALA A 16 70.067 39.158 -26.481 1.00 1.21 C ATOM 261 C ALA A 16 70.541 38.786 -27.883 1.00 0.92 C ATOM 262 O ALA A 16 69.945 37.966 -28.558 1.00 1.02 O ATOM 263 CB ALA A 16 70.712 38.248 -25.433 1.00 1.58 C ATOM 0 H ALA A 16 68.332 38.308 -25.577 1.00 1.32 H new ATOM 0 HA ALA A 16 70.332 40.205 -26.333 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.796 38.360 -25.471 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.354 38.524 -24.441 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.447 37.211 -25.639 1.00 1.58 H new ATOM 269 N GLY A 17 71.606 39.388 -28.332 1.00 0.84 N ATOM 270 CA GLY A 17 72.112 39.083 -29.695 1.00 0.75 C ATOM 271 C GLY A 17 71.259 39.827 -30.718 1.00 0.63 C ATOM 272 O GLY A 17 71.489 39.740 -31.905 1.00 0.83 O ATOM 0 H GLY A 17 72.147 40.079 -27.812 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.156 39.383 -29.785 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.072 38.010 -29.880 1.00 0.75 H new ATOM 276 N LYS A 18 70.287 40.575 -30.263 1.00 0.60 N ATOM 277 CA LYS A 18 69.432 41.345 -31.209 1.00 0.58 C ATOM 278 C LYS A 18 69.376 42.812 -30.762 1.00 0.59 C ATOM 279 O LYS A 18 69.128 43.109 -29.612 1.00 0.88 O ATOM 280 CB LYS A 18 68.042 40.687 -31.158 1.00 0.71 C ATOM 281 CG LYS A 18 68.156 39.197 -31.473 1.00 1.60 C ATOM 282 CD LYS A 18 66.974 38.440 -30.863 1.00 2.39 C ATOM 283 CE LYS A 18 67.340 36.959 -30.659 1.00 2.98 C ATOM 284 NZ LYS A 18 68.306 36.623 -31.746 1.00 3.59 N ATOM 0 H LYS A 18 70.050 40.684 -29.277 1.00 0.60 H new ATOM 0 HA LYS A 18 69.820 41.333 -32.227 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.601 40.825 -30.171 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.376 41.168 -31.874 1.00 0.71 H new ATOM 0 HG2 LYS A 18 68.177 39.046 -32.552 1.00 1.60 H new ATOM 0 HG3 LYS A 18 69.093 38.804 -31.078 1.00 1.60 H new ATOM 0 HD2 LYS A 18 66.699 38.889 -29.909 1.00 2.39 H new ATOM 0 HD3 LYS A 18 66.105 38.521 -31.516 1.00 2.39 H new ATOM 0 HE2 LYS A 18 67.785 36.798 -29.677 1.00 2.98 H new ATOM 0 HE3 LYS A 18 66.454 36.326 -30.714 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 68.334 35.592 -31.879 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 68.005 37.079 -32.631 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 69.253 36.964 -31.486 1.00 3.59 H new ATOM 298 N ASN A 19 69.615 43.728 -31.664 1.00 0.40 N ATOM 299 CA ASN A 19 69.587 45.167 -31.306 1.00 0.50 C ATOM 300 C ASN A 19 68.786 45.911 -32.363 1.00 0.47 C ATOM 301 O ASN A 19 68.797 47.124 -32.433 1.00 0.60 O ATOM 302 CB ASN A 19 71.049 45.611 -31.342 1.00 0.65 C ATOM 303 CG ASN A 19 71.676 45.470 -29.954 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.888 44.372 -29.478 1.00 1.93 O ATOM 305 ND2 ASN A 19 71.986 46.544 -29.282 1.00 1.75 N ATOM 0 H ASN A 19 69.830 43.533 -32.642 1.00 0.40 H new ATOM 0 HA ASN A 19 69.133 45.360 -30.334 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.602 45.009 -32.062 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.114 46.647 -31.676 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.407 46.463 -28.356 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.808 47.465 -29.682 1.00 1.75 H new ATOM 312 N LEU A 20 68.099 45.183 -33.200 1.00 0.40 N ATOM 313 CA LEU A 20 67.308 45.837 -34.259 1.00 0.48 C ATOM 314 C LEU A 20 65.865 45.398 -34.158 1.00 0.38 C ATOM 315 O LEU A 20 65.496 44.567 -33.352 1.00 0.56 O ATOM 316 CB LEU A 20 67.856 45.350 -35.623 1.00 0.64 C ATOM 317 CG LEU A 20 69.245 44.729 -35.501 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.120 43.221 -35.642 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.133 45.263 -36.627 1.00 1.34 C ATOM 0 H LEU A 20 68.056 44.164 -33.190 1.00 0.40 H new ATOM 0 HA LEU A 20 67.374 46.920 -34.160 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.169 44.618 -36.047 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.896 46.190 -36.317 1.00 0.64 H new ATOM 0 HG LEU A 20 69.683 44.980 -34.535 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.106 42.765 -35.557 1.00 1.13 H new ATOM 0 HD12 LEU A 20 68.472 42.834 -34.855 1.00 1.13 H new ATOM 0 HD13 LEU A 20 68.692 42.981 -36.615 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.127 44.823 -36.546 1.00 1.34 H new ATOM 0 HD22 LEU A 20 69.697 44.999 -37.590 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.208 46.348 -36.548 1.00 1.34 H new ATOM 331 N CYS A 21 65.072 45.902 -35.030 1.00 0.29 N ATOM 332 CA CYS A 21 63.652 45.489 -35.084 1.00 0.31 C ATOM 333 C CYS A 21 63.452 44.919 -36.476 1.00 0.32 C ATOM 334 O CYS A 21 64.270 45.153 -37.346 1.00 0.49 O ATOM 335 CB CYS A 21 62.808 46.749 -34.888 1.00 0.44 C ATOM 336 SG CYS A 21 63.582 47.856 -33.681 1.00 0.57 S ATOM 0 H CYS A 21 65.344 46.597 -35.725 1.00 0.29 H new ATOM 0 HA CYS A 21 63.374 44.757 -34.326 1.00 0.31 H new ATOM 0 HB2 CYS A 21 62.691 47.266 -35.840 1.00 0.44 H new ATOM 0 HB3 CYS A 21 61.809 46.475 -34.549 1.00 0.44 H new ATOM 341 N TYR A 22 62.416 44.176 -36.715 1.00 0.30 N ATOM 342 CA TYR A 22 62.245 43.614 -38.081 1.00 0.31 C ATOM 343 C TYR A 22 60.795 43.704 -38.538 1.00 0.31 C ATOM 344 O TYR A 22 59.878 43.458 -37.782 1.00 0.41 O ATOM 345 CB TYR A 22 62.670 42.145 -37.979 1.00 0.36 C ATOM 346 CG TYR A 22 61.548 41.323 -37.389 1.00 0.38 C ATOM 347 CD1 TYR A 22 60.549 40.819 -38.227 1.00 0.54 C ATOM 348 CD2 TYR A 22 61.503 41.068 -36.016 1.00 0.47 C ATOM 349 CE1 TYR A 22 59.500 40.061 -37.695 1.00 0.63 C ATOM 350 CE2 TYR A 22 60.454 40.308 -35.481 1.00 0.52 C ATOM 351 CZ TYR A 22 59.453 39.804 -36.322 1.00 0.55 C ATOM 352 OH TYR A 22 58.418 39.054 -35.797 1.00 0.66 O ATOM 0 H TYR A 22 61.690 43.935 -36.040 1.00 0.30 H new ATOM 0 HA TYR A 22 62.839 44.167 -38.808 1.00 0.31 H new ATOM 0 HB2 TYR A 22 62.931 41.764 -38.966 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.561 42.058 -37.358 1.00 0.36 H new ATOM 0 HD1 TYR A 22 60.587 41.015 -39.288 1.00 0.54 H new ATOM 0 HD2 TYR A 22 62.275 41.456 -35.368 1.00 0.47 H new ATOM 0 HE1 TYR A 22 58.728 39.675 -38.344 1.00 0.63 H new ATOM 0 HE2 TYR A 22 60.417 40.111 -34.420 1.00 0.52 H new ATOM 0 HH TYR A 22 58.535 38.968 -34.828 1.00 0.66 H new ATOM 362 N LYS A 23 60.587 43.993 -39.785 1.00 0.39 N ATOM 363 CA LYS A 23 59.197 44.023 -40.296 1.00 0.44 C ATOM 364 C LYS A 23 59.119 43.121 -41.523 1.00 0.45 C ATOM 365 O LYS A 23 59.736 43.377 -42.538 1.00 0.54 O ATOM 366 CB LYS A 23 58.824 45.477 -40.638 1.00 0.56 C ATOM 367 CG LYS A 23 60.065 46.342 -40.867 1.00 1.11 C ATOM 368 CD LYS A 23 60.342 47.162 -39.603 1.00 1.49 C ATOM 369 CE LYS A 23 60.826 48.566 -39.982 1.00 1.72 C ATOM 370 NZ LYS A 23 59.612 49.283 -40.467 1.00 2.18 N ATOM 0 H LYS A 23 61.313 44.208 -40.468 1.00 0.39 H new ATOM 0 HA LYS A 23 58.491 43.659 -39.550 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.200 45.492 -41.532 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.230 45.900 -39.828 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.924 45.713 -41.104 1.00 1.11 H new ATOM 0 HG3 LYS A 23 59.910 47.004 -41.719 1.00 1.11 H new ATOM 0 HD2 LYS A 23 59.437 47.231 -38.999 1.00 1.49 H new ATOM 0 HD3 LYS A 23 61.094 46.662 -38.993 1.00 1.49 H new ATOM 0 HE2 LYS A 23 61.267 49.075 -39.125 1.00 1.72 H new ATOM 0 HE3 LYS A 23 61.592 48.522 -40.756 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.782 49.642 -41.428 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 58.804 48.628 -40.480 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 59.402 50.079 -39.832 1.00 2.18 H new ATOM 384 N MET A 24 58.389 42.052 -41.415 1.00 0.47 N ATOM 385 CA MET A 24 58.289 41.097 -42.558 1.00 0.53 C ATOM 386 C MET A 24 56.922 41.183 -43.220 1.00 0.53 C ATOM 387 O MET A 24 55.937 40.733 -42.683 1.00 0.59 O ATOM 388 CB MET A 24 58.473 39.717 -41.940 1.00 0.63 C ATOM 389 CG MET A 24 58.491 38.669 -43.054 1.00 0.99 C ATOM 390 SD MET A 24 57.753 37.134 -42.450 1.00 1.69 S ATOM 391 CE MET A 24 58.869 36.904 -41.044 1.00 2.37 C ATOM 0 H MET A 24 57.855 41.794 -40.585 1.00 0.47 H new ATOM 0 HA MET A 24 59.031 41.316 -43.326 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.403 39.680 -41.373 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.664 39.508 -41.240 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.939 39.034 -43.920 1.00 0.99 H new ATOM 0 HG3 MET A 24 59.515 38.488 -43.381 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.437 35.983 -41.177 1.00 2.37 H new ATOM 0 HE2 MET A 24 59.555 37.748 -40.982 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.287 36.841 -40.124 1.00 2.37 H new ATOM 401 N PHE A 25 56.854 41.750 -44.390 1.00 0.53 N ATOM 402 CA PHE A 25 55.540 41.857 -45.084 1.00 0.58 C ATOM 403 C PHE A 25 55.580 41.108 -46.405 1.00 0.50 C ATOM 404 O PHE A 25 56.549 40.465 -46.744 1.00 0.49 O ATOM 405 CB PHE A 25 55.318 43.347 -45.342 1.00 0.70 C ATOM 406 CG PHE A 25 56.645 44.024 -45.615 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.455 44.433 -44.547 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.070 44.231 -46.936 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.683 45.053 -44.797 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.300 44.853 -47.183 1.00 0.86 C ATOM 411 CZ PHE A 25 59.104 45.262 -46.111 1.00 0.70 C ATOM 0 H PHE A 25 57.648 42.143 -44.896 1.00 0.53 H new ATOM 0 HA PHE A 25 54.739 41.427 -44.483 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.649 43.482 -46.192 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.835 43.807 -44.480 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.130 44.269 -43.530 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.450 43.911 -47.760 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.306 45.370 -43.973 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.628 45.017 -48.199 1.00 0.86 H new ATOM 0 HZ PHE A 25 60.053 45.741 -46.302 1.00 0.70 H new ATOM 421 N MET A 26 54.532 41.219 -47.167 1.00 0.56 N ATOM 422 CA MET A 26 54.502 40.531 -48.475 1.00 0.61 C ATOM 423 C MET A 26 55.064 41.475 -49.542 1.00 0.69 C ATOM 424 O MET A 26 54.575 42.574 -49.719 1.00 1.30 O ATOM 425 CB MET A 26 53.019 40.245 -48.724 1.00 0.72 C ATOM 426 CG MET A 26 52.577 39.074 -47.843 1.00 0.91 C ATOM 427 SD MET A 26 52.917 37.518 -48.699 1.00 1.46 S ATOM 428 CE MET A 26 51.284 36.778 -48.455 1.00 1.96 C ATOM 0 H MET A 26 53.697 41.757 -46.937 1.00 0.56 H new ATOM 0 HA MET A 26 55.096 39.617 -48.501 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.423 41.130 -48.499 1.00 0.72 H new ATOM 0 HB3 MET A 26 52.854 40.008 -49.775 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.106 39.101 -46.890 1.00 0.91 H new ATOM 0 HG3 MET A 26 51.513 39.154 -47.619 1.00 0.91 H new ATOM 0 HE1 MET A 26 51.261 35.789 -48.912 1.00 1.96 H new ATOM 0 HE2 MET A 26 51.081 36.689 -47.388 1.00 1.96 H new ATOM 0 HE3 MET A 26 50.526 37.410 -48.918 1.00 1.96 H new ATOM 438 N VAL A 27 56.104 41.058 -50.231 1.00 0.76 N ATOM 439 CA VAL A 27 56.727 41.916 -51.286 1.00 0.80 C ATOM 440 C VAL A 27 55.662 42.744 -52.019 1.00 0.91 C ATOM 441 O VAL A 27 55.941 43.806 -52.541 1.00 1.08 O ATOM 442 CB VAL A 27 57.411 40.927 -52.239 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.884 41.665 -53.492 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.623 40.285 -51.543 1.00 1.06 C ATOM 0 H VAL A 27 56.550 40.150 -50.103 1.00 0.76 H new ATOM 0 HA VAL A 27 57.431 42.636 -50.869 1.00 0.80 H new ATOM 0 HB VAL A 27 56.698 40.151 -52.517 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.370 40.961 -54.168 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.028 42.117 -53.993 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.592 42.444 -53.210 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.105 39.584 -52.224 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.333 41.062 -51.260 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.291 39.754 -50.651 1.00 1.06 H new ATOM 454 N ALA A 28 54.442 42.276 -52.051 1.00 0.94 N ATOM 455 CA ALA A 28 53.356 43.041 -52.729 1.00 1.10 C ATOM 456 C ALA A 28 53.380 44.515 -52.304 1.00 1.12 C ATOM 457 O ALA A 28 53.486 45.404 -53.125 1.00 1.33 O ATOM 458 CB ALA A 28 52.064 42.380 -52.247 1.00 1.15 C ATOM 0 H ALA A 28 54.150 41.392 -51.634 1.00 0.94 H new ATOM 0 HA ALA A 28 53.461 43.025 -53.814 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.208 42.882 -52.698 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.063 41.329 -52.537 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.999 42.457 -51.162 1.00 1.15 H new ATOM 464 N THR A 29 53.270 44.779 -51.028 1.00 1.00 N ATOM 465 CA THR A 29 53.275 46.194 -50.559 1.00 1.09 C ATOM 466 C THR A 29 54.680 46.592 -50.093 1.00 0.90 C ATOM 467 O THR A 29 55.171 46.075 -49.109 1.00 0.93 O ATOM 468 CB THR A 29 52.281 46.241 -49.403 1.00 1.33 C ATOM 469 OG1 THR A 29 52.585 45.220 -48.459 1.00 1.93 O ATOM 470 CG2 THR A 29 50.869 46.036 -49.953 1.00 1.85 C ATOM 0 H THR A 29 53.177 44.077 -50.293 1.00 1.00 H new ATOM 0 HA THR A 29 52.998 46.891 -51.350 1.00 1.09 H new ATOM 0 HB THR A 29 52.345 47.208 -48.905 1.00 1.33 H new ATOM 0 HG1 THR A 29 53.556 45.098 -48.411 1.00 1.93 H new ATOM 0 HG21 THR A 29 50.151 46.068 -49.133 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.639 46.826 -50.668 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.809 45.068 -50.450 1.00 1.85 H new ATOM 478 N PRO A 30 55.293 47.488 -50.828 1.00 0.99 N ATOM 479 CA PRO A 30 56.666 47.936 -50.502 1.00 1.03 C ATOM 480 C PRO A 30 56.708 48.763 -49.212 1.00 0.85 C ATOM 481 O PRO A 30 57.647 48.673 -48.447 1.00 0.90 O ATOM 482 CB PRO A 30 57.025 48.807 -51.712 1.00 1.44 C ATOM 483 CG PRO A 30 55.830 48.831 -52.682 1.00 1.67 C ATOM 484 CD PRO A 30 54.660 48.096 -52.023 1.00 1.36 C ATOM 0 HA PRO A 30 57.352 47.107 -50.329 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.268 49.819 -51.389 1.00 1.44 H new ATOM 0 HB3 PRO A 30 57.909 48.411 -52.212 1.00 1.44 H new ATOM 0 HG2 PRO A 30 55.550 49.859 -52.914 1.00 1.67 H new ATOM 0 HG3 PRO A 30 56.096 48.352 -53.624 1.00 1.67 H new ATOM 0 HD2 PRO A 30 53.854 48.778 -51.752 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.232 47.342 -52.683 1.00 1.36 H new ATOM 492 N LYS A 31 55.726 49.588 -48.972 1.00 0.96 N ATOM 493 CA LYS A 31 55.768 50.430 -47.741 1.00 1.02 C ATOM 494 C LYS A 31 54.655 50.071 -46.748 1.00 0.94 C ATOM 495 O LYS A 31 54.261 50.887 -45.938 1.00 1.09 O ATOM 496 CB LYS A 31 55.600 51.861 -48.253 1.00 1.39 C ATOM 497 CG LYS A 31 56.881 52.656 -47.982 1.00 1.90 C ATOM 498 CD LYS A 31 56.846 53.961 -48.776 1.00 2.38 C ATOM 499 CE LYS A 31 57.032 53.654 -50.264 1.00 2.81 C ATOM 500 NZ LYS A 31 56.161 54.638 -50.966 1.00 3.08 N ATOM 0 H LYS A 31 54.906 49.716 -49.565 1.00 0.96 H new ATOM 0 HA LYS A 31 56.697 50.282 -47.190 1.00 1.02 H new ATOM 0 HB2 LYS A 31 55.384 51.853 -49.321 1.00 1.39 H new ATOM 0 HB3 LYS A 31 54.753 52.338 -47.760 1.00 1.39 H new ATOM 0 HG2 LYS A 31 56.972 52.868 -46.917 1.00 1.90 H new ATOM 0 HG3 LYS A 31 57.754 52.068 -48.266 1.00 1.90 H new ATOM 0 HD2 LYS A 31 55.897 54.473 -48.614 1.00 2.38 H new ATOM 0 HD3 LYS A 31 57.633 54.631 -48.430 1.00 2.38 H new ATOM 0 HE2 LYS A 31 58.074 53.764 -50.563 1.00 2.81 H new ATOM 0 HE3 LYS A 31 56.740 52.630 -50.496 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 56.232 54.494 -51.993 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 55.174 54.505 -50.665 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 56.468 55.603 -50.730 1.00 3.08 H new ATOM 514 N VAL A 32 54.159 48.863 -46.772 1.00 0.83 N ATOM 515 CA VAL A 32 53.099 48.494 -45.787 1.00 0.87 C ATOM 516 C VAL A 32 53.483 47.193 -45.079 1.00 0.69 C ATOM 517 O VAL A 32 52.888 46.160 -45.320 1.00 0.70 O ATOM 518 CB VAL A 32 51.805 48.317 -46.580 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.642 48.126 -45.602 1.00 1.65 C ATOM 520 CG2 VAL A 32 51.554 49.560 -47.438 1.00 1.72 C ATOM 0 H VAL A 32 54.436 48.125 -47.420 1.00 0.83 H new ATOM 0 HA VAL A 32 52.977 49.262 -45.023 1.00 0.87 H new ATOM 0 HB VAL A 32 51.888 47.445 -47.229 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.714 47.999 -46.160 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.822 47.241 -44.991 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.561 49.002 -44.958 1.00 1.65 H new ATOM 0 HG21 VAL A 32 50.631 49.432 -48.003 1.00 1.72 H new ATOM 0 HG22 VAL A 32 51.467 50.435 -46.794 1.00 1.72 H new ATOM 0 HG23 VAL A 32 52.386 49.699 -48.129 1.00 1.72 H new ATOM 530 N PRO A 33 54.471 47.287 -44.218 1.00 0.67 N ATOM 531 CA PRO A 33 54.939 46.106 -43.463 1.00 0.65 C ATOM 532 C PRO A 33 53.784 45.466 -42.689 1.00 0.67 C ATOM 533 O PRO A 33 52.823 46.121 -42.335 1.00 0.79 O ATOM 534 CB PRO A 33 55.989 46.699 -42.523 1.00 0.82 C ATOM 535 CG PRO A 33 56.096 48.211 -42.790 1.00 0.91 C ATOM 536 CD PRO A 33 55.165 48.571 -43.956 1.00 0.84 C ATOM 0 HA PRO A 33 55.337 45.311 -44.093 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.711 46.518 -41.485 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.954 46.218 -42.684 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.819 48.773 -41.898 1.00 0.91 H new ATOM 0 HG3 PRO A 33 57.124 48.481 -43.030 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.466 49.363 -43.688 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.721 48.918 -44.827 1.00 0.84 H new ATOM 544 N VAL A 34 53.869 44.190 -42.421 1.00 0.64 N ATOM 545 CA VAL A 34 52.781 43.518 -41.675 1.00 0.72 C ATOM 546 C VAL A 34 53.336 42.880 -40.399 1.00 0.63 C ATOM 547 O VAL A 34 52.714 42.924 -39.370 1.00 0.79 O ATOM 548 CB VAL A 34 52.206 42.468 -42.635 1.00 0.84 C ATOM 549 CG1 VAL A 34 52.993 41.163 -42.536 1.00 1.32 C ATOM 550 CG2 VAL A 34 50.748 42.194 -42.271 1.00 1.19 C ATOM 0 H VAL A 34 54.648 43.589 -42.689 1.00 0.64 H new ATOM 0 HA VAL A 34 52.004 44.213 -41.357 1.00 0.72 H new ATOM 0 HB VAL A 34 52.277 42.851 -43.653 1.00 0.84 H new ATOM 0 HG11 VAL A 34 52.571 40.430 -43.224 1.00 1.32 H new ATOM 0 HG12 VAL A 34 54.036 41.346 -42.796 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.935 40.780 -41.517 1.00 1.32 H new ATOM 0 HG21 VAL A 34 50.337 41.448 -42.952 1.00 1.19 H new ATOM 0 HG22 VAL A 34 50.692 41.822 -41.248 1.00 1.19 H new ATOM 0 HG23 VAL A 34 50.173 43.116 -42.353 1.00 1.19 H new ATOM 560 N LYS A 35 54.508 42.307 -40.442 1.00 0.46 N ATOM 561 CA LYS A 35 55.073 41.711 -39.199 1.00 0.45 C ATOM 562 C LYS A 35 55.942 42.763 -38.520 1.00 0.39 C ATOM 563 O LYS A 35 56.649 43.486 -39.180 1.00 0.51 O ATOM 564 CB LYS A 35 55.933 40.535 -39.656 1.00 0.59 C ATOM 565 CG LYS A 35 55.054 39.315 -39.920 1.00 0.90 C ATOM 566 CD LYS A 35 54.613 38.707 -38.591 1.00 1.38 C ATOM 567 CE LYS A 35 53.083 38.640 -38.562 1.00 1.90 C ATOM 568 NZ LYS A 35 52.737 37.904 -37.315 1.00 2.50 N ATOM 0 H LYS A 35 55.093 42.226 -41.274 1.00 0.46 H new ATOM 0 HA LYS A 35 54.305 41.385 -38.498 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.478 40.803 -40.561 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.676 40.300 -38.894 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.182 39.602 -40.508 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.604 38.577 -40.505 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.037 37.710 -38.473 1.00 1.38 H new ATOM 0 HD3 LYS A 35 54.980 39.309 -37.760 1.00 1.38 H new ATOM 0 HE2 LYS A 35 52.647 39.639 -38.561 1.00 1.90 H new ATOM 0 HE3 LYS A 35 52.697 38.124 -39.441 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 51.703 37.824 -37.235 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 53.157 36.953 -37.345 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 53.109 38.421 -36.492 1.00 2.50 H new ATOM 582 N ARG A 36 55.895 42.857 -37.221 1.00 0.34 N ATOM 583 CA ARG A 36 56.732 43.877 -36.518 1.00 0.33 C ATOM 584 C ARG A 36 57.293 43.294 -35.212 1.00 0.36 C ATOM 585 O ARG A 36 56.572 43.102 -34.255 1.00 0.42 O ATOM 586 CB ARG A 36 55.789 45.045 -36.250 1.00 0.37 C ATOM 587 CG ARG A 36 56.398 46.340 -36.790 1.00 0.54 C ATOM 588 CD ARG A 36 55.279 47.310 -37.188 1.00 0.83 C ATOM 589 NE ARG A 36 54.990 47.013 -38.619 1.00 0.89 N ATOM 590 CZ ARG A 36 54.173 47.776 -39.297 1.00 1.07 C ATOM 591 NH1 ARG A 36 54.219 49.073 -39.154 1.00 1.76 N ATOM 592 NH2 ARG A 36 53.311 47.244 -40.120 1.00 1.27 N ATOM 0 H ARG A 36 55.317 42.276 -36.615 1.00 0.34 H new ATOM 0 HA ARG A 36 57.594 44.191 -37.107 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.825 44.861 -36.724 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.606 45.138 -35.179 1.00 0.37 H new ATOM 0 HG2 ARG A 36 57.036 46.796 -36.033 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.030 46.125 -37.652 1.00 0.54 H new ATOM 0 HD2 ARG A 36 54.393 47.164 -36.570 1.00 0.83 H new ATOM 0 HD3 ARG A 36 55.592 48.346 -37.057 1.00 0.83 H new ATOM 0 HE ARG A 36 55.431 46.212 -39.071 1.00 0.89 H new ATOM 0 HH11 ARG A 36 54.893 49.492 -38.513 1.00 1.76 H new ATOM 0 HH12 ARG A 36 53.581 49.667 -39.683 1.00 1.76 H new ATOM 0 HH21 ARG A 36 53.274 46.231 -40.235 1.00 1.27 H new ATOM 0 HH22 ARG A 36 52.674 47.841 -40.648 1.00 1.27 H new ATOM 606 N GLY A 37 58.571 42.998 -35.163 1.00 0.34 N ATOM 607 CA GLY A 37 59.142 42.411 -33.907 1.00 0.39 C ATOM 608 C GLY A 37 60.621 42.797 -33.721 1.00 0.38 C ATOM 609 O GLY A 37 61.059 43.858 -34.121 1.00 0.44 O ATOM 0 H GLY A 37 59.235 43.135 -35.925 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.565 42.756 -33.049 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.050 41.325 -33.938 1.00 0.39 H new ATOM 613 N CYS A 38 61.386 41.925 -33.095 1.00 0.40 N ATOM 614 CA CYS A 38 62.839 42.208 -32.850 1.00 0.41 C ATOM 615 C CYS A 38 63.723 41.207 -33.596 1.00 0.39 C ATOM 616 O CYS A 38 63.397 40.038 -33.708 1.00 0.42 O ATOM 617 CB CYS A 38 63.037 42.009 -31.340 1.00 0.52 C ATOM 618 SG CYS A 38 62.410 43.432 -30.417 1.00 1.14 S ATOM 0 H CYS A 38 61.061 41.025 -32.742 1.00 0.40 H new ATOM 0 HA CYS A 38 63.108 43.208 -33.191 1.00 0.41 H new ATOM 0 HB2 CYS A 38 62.521 41.105 -31.017 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.096 41.867 -31.123 1.00 0.52 H new ATOM 623 N ILE A 39 64.853 41.641 -34.097 1.00 0.38 N ATOM 624 CA ILE A 39 65.758 40.702 -34.811 1.00 0.39 C ATOM 625 C ILE A 39 67.215 40.967 -34.402 1.00 0.43 C ATOM 626 O ILE A 39 67.541 41.979 -33.809 1.00 0.48 O ATOM 627 CB ILE A 39 65.563 41.021 -36.318 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.551 40.048 -36.930 1.00 0.39 C ATOM 629 CG2 ILE A 39 66.894 40.893 -37.079 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.586 40.148 -38.459 1.00 0.42 C ATOM 0 H ILE A 39 65.183 42.604 -34.040 1.00 0.38 H new ATOM 0 HA ILE A 39 65.537 39.660 -34.580 1.00 0.39 H new ATOM 0 HB ILE A 39 65.198 42.044 -36.403 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.780 39.029 -36.619 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.549 40.275 -36.565 1.00 0.39 H new ATOM 0 HG21 ILE A 39 66.734 41.121 -38.133 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.620 41.592 -36.663 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.273 39.876 -36.981 1.00 0.43 H new ATOM 0 HD11 ILE A 39 63.863 39.453 -38.886 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.335 41.164 -38.763 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.585 39.898 -38.817 1.00 0.42 H new ATOM 642 N ASP A 40 68.084 40.081 -34.785 1.00 0.48 N ATOM 643 CA ASP A 40 69.535 40.273 -34.534 1.00 0.56 C ATOM 644 C ASP A 40 70.184 40.549 -35.884 1.00 0.58 C ATOM 645 O ASP A 40 70.976 41.456 -36.045 1.00 0.67 O ATOM 646 CB ASP A 40 70.074 38.960 -33.950 1.00 0.67 C ATOM 647 CG ASP A 40 69.378 37.759 -34.601 1.00 1.31 C ATOM 648 OD1 ASP A 40 68.865 37.910 -35.695 1.00 2.02 O ATOM 649 OD2 ASP A 40 69.375 36.703 -33.989 1.00 1.94 O ATOM 0 H ASP A 40 67.846 39.216 -35.270 1.00 0.48 H new ATOM 0 HA ASP A 40 69.739 41.093 -33.845 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.150 38.897 -34.113 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.913 38.941 -32.872 1.00 0.67 H new ATOM 654 N VAL A 41 69.811 39.769 -36.863 1.00 0.56 N ATOM 655 CA VAL A 41 70.346 39.947 -38.235 1.00 0.63 C ATOM 656 C VAL A 41 69.184 39.977 -39.224 1.00 0.58 C ATOM 657 O VAL A 41 68.322 39.123 -39.212 1.00 0.68 O ATOM 658 CB VAL A 41 71.221 38.727 -38.493 1.00 0.76 C ATOM 659 CG1 VAL A 41 71.945 38.913 -39.822 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.241 38.577 -37.362 1.00 1.57 C ATOM 0 H VAL A 41 69.145 39.003 -36.763 1.00 0.56 H new ATOM 0 HA VAL A 41 70.909 40.874 -38.346 1.00 0.63 H new ATOM 0 HB VAL A 41 70.604 37.829 -38.533 1.00 0.76 H new ATOM 0 HG11 VAL A 41 72.575 38.045 -40.018 1.00 1.54 H new ATOM 0 HG12 VAL A 41 71.214 39.018 -40.623 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.565 39.808 -39.776 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.866 37.704 -37.549 1.00 1.57 H new ATOM 0 HG22 VAL A 41 72.867 39.468 -37.316 1.00 1.57 H new ATOM 0 HG23 VAL A 41 71.718 38.452 -36.414 1.00 1.57 H new ATOM 670 N CYS A 42 69.153 40.955 -40.078 1.00 0.72 N ATOM 671 CA CYS A 42 68.041 41.044 -41.059 1.00 0.76 C ATOM 672 C CYS A 42 68.214 39.979 -42.149 1.00 0.76 C ATOM 673 O CYS A 42 69.173 40.012 -42.890 1.00 0.90 O ATOM 674 CB CYS A 42 68.174 42.437 -41.669 1.00 1.00 C ATOM 675 SG CYS A 42 66.536 43.029 -42.146 1.00 1.13 S ATOM 0 H CYS A 42 69.849 41.698 -40.140 1.00 0.72 H new ATOM 0 HA CYS A 42 67.067 40.882 -40.597 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.627 43.121 -40.951 1.00 1.00 H new ATOM 0 HB3 CYS A 42 68.831 42.406 -42.538 1.00 1.00 H new ATOM 680 N PRO A 43 67.274 39.067 -42.219 1.00 0.70 N ATOM 681 CA PRO A 43 67.335 37.993 -43.233 1.00 0.80 C ATOM 682 C PRO A 43 67.474 38.579 -44.646 1.00 0.89 C ATOM 683 O PRO A 43 67.339 39.770 -44.854 1.00 0.97 O ATOM 684 CB PRO A 43 65.991 37.285 -43.042 1.00 0.80 C ATOM 685 CG PRO A 43 65.217 37.980 -41.906 1.00 0.72 C ATOM 686 CD PRO A 43 66.113 39.061 -41.300 1.00 0.65 C ATOM 0 HA PRO A 43 68.190 37.327 -43.120 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.414 37.317 -43.966 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.150 36.234 -42.802 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.297 38.421 -42.289 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.930 37.255 -41.144 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.615 40.030 -41.269 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.406 38.820 -40.278 1.00 0.65 H new ATOM 694 N LYS A 44 67.756 37.747 -45.614 1.00 1.04 N ATOM 695 CA LYS A 44 67.922 38.242 -47.013 1.00 1.19 C ATOM 696 C LYS A 44 66.575 38.694 -47.586 1.00 1.07 C ATOM 697 O LYS A 44 65.601 38.842 -46.873 1.00 1.52 O ATOM 698 CB LYS A 44 68.469 37.038 -47.793 1.00 1.53 C ATOM 699 CG LYS A 44 67.325 36.080 -48.142 1.00 2.08 C ATOM 700 CD LYS A 44 67.880 34.873 -48.900 1.00 2.77 C ATOM 701 CE LYS A 44 66.728 33.952 -49.309 1.00 3.61 C ATOM 702 NZ LYS A 44 66.584 32.988 -48.182 1.00 4.19 N ATOM 0 H LYS A 44 67.879 36.741 -45.495 1.00 1.04 H new ATOM 0 HA LYS A 44 68.588 39.103 -47.071 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.962 37.377 -48.704 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.221 36.519 -47.198 1.00 1.53 H new ATOM 0 HG2 LYS A 44 66.822 35.751 -47.232 1.00 2.08 H new ATOM 0 HG3 LYS A 44 66.580 36.593 -48.750 1.00 2.08 H new ATOM 0 HD2 LYS A 44 68.426 35.205 -49.783 1.00 2.77 H new ATOM 0 HD3 LYS A 44 68.588 34.331 -48.273 1.00 2.77 H new ATOM 0 HE2 LYS A 44 65.809 34.516 -49.465 1.00 3.61 H new ATOM 0 HE3 LYS A 44 66.948 33.436 -50.244 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 65.812 32.323 -48.390 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 67.472 32.460 -48.061 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 66.368 33.507 -47.307 1.00 4.19 H new ATOM 716 N SER A 45 66.516 38.901 -48.873 1.00 1.01 N ATOM 717 CA SER A 45 65.239 39.332 -49.507 1.00 0.93 C ATOM 718 C SER A 45 64.625 38.153 -50.263 1.00 0.94 C ATOM 719 O SER A 45 65.325 37.299 -50.768 1.00 1.20 O ATOM 720 CB SER A 45 65.625 40.445 -50.480 1.00 1.04 C ATOM 721 OG SER A 45 65.643 41.686 -49.791 1.00 1.64 O ATOM 0 H SER A 45 67.301 38.790 -49.515 1.00 1.01 H new ATOM 0 HA SER A 45 64.506 39.675 -48.777 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.605 40.242 -50.912 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.914 40.485 -51.305 1.00 1.04 H new ATOM 0 HG SER A 45 65.892 42.402 -50.412 1.00 1.64 H new ATOM 727 N SER A 46 63.329 38.091 -50.344 1.00 0.84 N ATOM 728 CA SER A 46 62.693 36.953 -51.066 1.00 1.02 C ATOM 729 C SER A 46 61.820 37.467 -52.210 1.00 1.10 C ATOM 730 O SER A 46 61.404 38.608 -52.226 1.00 1.66 O ATOM 731 CB SER A 46 61.838 36.251 -50.013 1.00 1.08 C ATOM 732 OG SER A 46 61.300 35.053 -50.560 1.00 1.49 O ATOM 0 H SER A 46 62.684 38.773 -49.945 1.00 0.84 H new ATOM 0 HA SER A 46 63.429 36.284 -51.511 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.440 36.023 -49.133 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.032 36.908 -49.686 1.00 1.08 H new ATOM 0 HG SER A 46 60.753 34.602 -49.884 1.00 1.49 H new ATOM 738 N LEU A 47 61.530 36.626 -53.165 1.00 1.13 N ATOM 739 CA LEU A 47 60.675 37.060 -54.301 1.00 1.25 C ATOM 740 C LEU A 47 59.200 37.025 -53.877 1.00 0.98 C ATOM 741 O LEU A 47 58.307 37.256 -54.671 1.00 1.23 O ATOM 742 CB LEU A 47 60.955 36.048 -55.415 1.00 1.60 C ATOM 743 CG LEU A 47 61.794 36.719 -56.507 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.118 38.021 -56.945 1.00 2.75 C ATOM 745 CD2 LEU A 47 63.190 37.034 -55.959 1.00 2.50 C ATOM 0 H LEU A 47 61.849 35.658 -53.206 1.00 1.13 H new ATOM 0 HA LEU A 47 60.887 38.078 -54.627 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.484 35.184 -55.013 1.00 1.60 H new ATOM 0 HB3 LEU A 47 60.018 35.682 -55.834 1.00 1.60 H new ATOM 0 HG LEU A 47 61.879 36.047 -57.361 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.716 38.498 -57.722 1.00 2.75 H new ATOM 0 HD12 LEU A 47 60.124 37.802 -57.335 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.032 38.692 -56.090 1.00 2.75 H new ATOM 0 HD21 LEU A 47 63.787 37.511 -56.736 1.00 2.50 H new ATOM 0 HD22 LEU A 47 63.103 37.705 -55.105 1.00 2.50 H new ATOM 0 HD23 LEU A 47 63.675 36.110 -55.646 1.00 2.50 H new ATOM 757 N LEU A 48 58.944 36.745 -52.622 1.00 0.79 N ATOM 758 CA LEU A 48 57.536 36.697 -52.127 1.00 0.85 C ATOM 759 C LEU A 48 57.415 37.446 -50.788 1.00 0.71 C ATOM 760 O LEU A 48 56.381 38.003 -50.471 1.00 0.92 O ATOM 761 CB LEU A 48 57.234 35.207 -51.944 1.00 1.16 C ATOM 762 CG LEU A 48 56.000 35.030 -51.053 1.00 1.67 C ATOM 763 CD1 LEU A 48 54.907 34.303 -51.834 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.379 34.206 -49.819 1.00 2.47 C ATOM 0 H LEU A 48 59.654 36.547 -51.917 1.00 0.79 H new ATOM 0 HA LEU A 48 56.838 37.172 -52.816 1.00 0.85 H new ATOM 0 HB2 LEU A 48 57.063 34.740 -52.914 1.00 1.16 H new ATOM 0 HB3 LEU A 48 58.092 34.706 -51.496 1.00 1.16 H new ATOM 0 HG LEU A 48 55.633 36.008 -50.741 1.00 1.67 H new ATOM 0 HD11 LEU A 48 54.029 34.177 -51.200 1.00 2.36 H new ATOM 0 HD12 LEU A 48 54.638 34.888 -52.714 1.00 2.36 H new ATOM 0 HD13 LEU A 48 55.272 33.325 -52.146 1.00 2.36 H new ATOM 0 HD21 LEU A 48 55.503 34.079 -49.183 1.00 2.47 H new ATOM 0 HD22 LEU A 48 56.745 33.228 -50.133 1.00 2.47 H new ATOM 0 HD23 LEU A 48 57.159 34.724 -49.261 1.00 2.47 H new ATOM 776 N VAL A 49 58.456 37.457 -49.993 1.00 0.54 N ATOM 777 CA VAL A 49 58.386 38.166 -48.678 1.00 0.49 C ATOM 778 C VAL A 49 59.640 39.041 -48.474 1.00 0.42 C ATOM 779 O VAL A 49 60.652 38.851 -49.117 1.00 0.58 O ATOM 780 CB VAL A 49 58.291 37.035 -47.634 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.656 36.755 -47.000 1.00 0.99 C ATOM 782 CG2 VAL A 49 57.303 37.436 -46.536 1.00 1.13 C ATOM 0 H VAL A 49 59.349 37.007 -50.197 1.00 0.54 H new ATOM 0 HA VAL A 49 57.538 38.846 -48.604 1.00 0.49 H new ATOM 0 HB VAL A 49 57.949 36.132 -48.139 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.560 35.953 -46.268 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.362 36.456 -47.774 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.019 37.656 -46.506 1.00 0.99 H new ATOM 0 HG21 VAL A 49 57.235 36.637 -45.798 1.00 1.13 H new ATOM 0 HG22 VAL A 49 57.648 38.349 -46.052 1.00 1.13 H new ATOM 0 HG23 VAL A 49 56.320 37.608 -46.976 1.00 1.13 H new ATOM 792 N LYS A 50 59.583 40.003 -47.590 1.00 0.40 N ATOM 793 CA LYS A 50 60.776 40.877 -47.366 1.00 0.42 C ATOM 794 C LYS A 50 60.884 41.286 -45.895 1.00 0.44 C ATOM 795 O LYS A 50 59.894 41.488 -45.220 1.00 0.55 O ATOM 796 CB LYS A 50 60.535 42.111 -48.237 1.00 0.57 C ATOM 797 CG LYS A 50 61.802 42.969 -48.262 1.00 1.02 C ATOM 798 CD LYS A 50 61.438 44.429 -47.987 1.00 1.41 C ATOM 799 CE LYS A 50 62.449 45.344 -48.683 1.00 1.74 C ATOM 800 NZ LYS A 50 62.130 46.714 -48.193 1.00 2.40 N ATOM 0 H LYS A 50 58.768 40.221 -47.016 1.00 0.40 H new ATOM 0 HA LYS A 50 61.703 40.364 -47.620 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.267 41.809 -49.249 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.698 42.689 -47.845 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.509 42.613 -47.513 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.293 42.882 -49.231 1.00 1.02 H new ATOM 0 HD2 LYS A 50 60.431 44.639 -48.349 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.437 44.619 -46.914 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.472 45.064 -48.433 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.357 45.281 -49.767 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 62.277 47.400 -48.961 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 61.138 46.749 -47.882 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 62.752 46.951 -47.394 1.00 2.40 H new ATOM 814 N TYR A 51 62.086 41.416 -45.396 1.00 0.44 N ATOM 815 CA TYR A 51 62.265 41.821 -43.973 1.00 0.52 C ATOM 816 C TYR A 51 63.050 43.134 -43.888 1.00 0.45 C ATOM 817 O TYR A 51 64.081 43.294 -44.510 1.00 0.59 O ATOM 818 CB TYR A 51 63.091 40.710 -43.321 1.00 0.73 C ATOM 819 CG TYR A 51 62.477 39.352 -43.568 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.422 38.824 -44.864 1.00 0.69 C ATOM 821 CD2 TYR A 51 61.994 38.602 -42.488 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.875 37.555 -45.082 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.451 37.327 -42.710 1.00 1.19 C ATOM 824 CZ TYR A 51 61.393 36.807 -44.006 1.00 1.05 C ATOM 825 OH TYR A 51 60.859 35.553 -44.221 1.00 1.47 O ATOM 0 H TYR A 51 62.951 41.259 -45.914 1.00 0.44 H new ATOM 0 HA TYR A 51 61.302 41.967 -43.484 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.107 40.729 -43.716 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.163 40.889 -42.248 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.802 39.397 -45.696 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.039 39.004 -41.487 1.00 0.82 H new ATOM 0 HE1 TYR A 51 61.825 37.154 -46.083 1.00 0.76 H new ATOM 0 HE2 TYR A 51 61.078 36.747 -41.879 1.00 1.19 H new ATOM 0 HH TYR A 51 60.572 35.169 -43.366 1.00 1.47 H new ATOM 835 N VAL A 52 62.593 44.064 -43.098 1.00 0.44 N ATOM 836 CA VAL A 52 63.345 45.342 -42.953 1.00 0.49 C ATOM 837 C VAL A 52 63.774 45.491 -41.495 1.00 0.43 C ATOM 838 O VAL A 52 62.970 45.359 -40.594 1.00 0.56 O ATOM 839 CB VAL A 52 62.373 46.450 -43.354 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.137 47.770 -43.459 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.746 46.113 -44.708 1.00 0.82 C ATOM 0 H VAL A 52 61.736 43.996 -42.549 1.00 0.44 H new ATOM 0 HA VAL A 52 64.241 45.378 -43.573 1.00 0.49 H new ATOM 0 HB VAL A 52 61.586 46.539 -42.605 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.450 48.566 -43.745 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.587 48.008 -42.495 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.920 47.678 -44.212 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.052 46.903 -44.995 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.530 46.028 -45.461 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.209 45.168 -44.635 1.00 0.82 H new ATOM 851 N CYS A 53 65.029 45.733 -41.244 1.00 0.44 N ATOM 852 CA CYS A 53 65.466 45.842 -39.826 1.00 0.47 C ATOM 853 C CYS A 53 66.335 47.076 -39.590 1.00 0.46 C ATOM 854 O CYS A 53 66.931 47.622 -40.496 1.00 0.68 O ATOM 855 CB CYS A 53 66.288 44.572 -39.550 1.00 0.73 C ATOM 856 SG CYS A 53 65.544 43.142 -40.388 1.00 1.39 S ATOM 0 H CYS A 53 65.759 45.858 -41.945 1.00 0.44 H new ATOM 0 HA CYS A 53 64.604 45.939 -39.167 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.312 44.712 -39.896 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.336 44.388 -38.477 1.00 0.73 H new ATOM 861 N CYS A 54 66.421 47.493 -38.359 1.00 0.39 N ATOM 862 CA CYS A 54 67.267 48.676 -38.012 1.00 0.51 C ATOM 863 C CYS A 54 67.906 48.433 -36.645 1.00 0.48 C ATOM 864 O CYS A 54 67.251 47.970 -35.742 1.00 0.46 O ATOM 865 CB CYS A 54 66.310 49.879 -37.992 1.00 0.68 C ATOM 866 SG CYS A 54 64.757 49.439 -37.167 1.00 1.08 S ATOM 0 H CYS A 54 65.939 47.064 -37.569 1.00 0.39 H new ATOM 0 HA CYS A 54 68.076 48.852 -38.721 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.779 50.716 -37.475 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.107 50.207 -39.011 1.00 0.68 H new ATOM 871 N ASN A 55 69.176 48.727 -36.485 1.00 0.52 N ATOM 872 CA ASN A 55 69.856 48.462 -35.176 1.00 0.55 C ATOM 873 C ASN A 55 69.732 49.678 -34.279 1.00 0.54 C ATOM 874 O ASN A 55 70.666 50.419 -34.059 1.00 0.61 O ATOM 875 CB ASN A 55 71.337 48.233 -35.520 1.00 0.67 C ATOM 876 CG ASN A 55 72.153 48.104 -34.232 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.435 46.917 -33.765 1.00 2.23 O flip ATOM 878 ND2 ASN A 55 72.546 49.092 -33.644 1.00 2.32 N flip ATOM 0 H ASN A 55 69.770 49.139 -37.204 1.00 0.52 H new ATOM 0 HA ASN A 55 69.417 47.610 -34.657 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.445 47.331 -36.122 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.713 49.062 -36.119 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.328 50.021 -34.005 1.00 2.32 H new ATOM 0 HD22 ASN A 55 73.094 48.993 -32.789 1.00 2.32 H new ATOM 885 N THR A 56 68.559 49.873 -33.767 1.00 0.49 N ATOM 886 CA THR A 56 68.314 51.031 -32.863 1.00 0.50 C ATOM 887 C THR A 56 67.223 50.680 -31.851 1.00 0.48 C ATOM 888 O THR A 56 66.778 49.551 -31.776 1.00 0.57 O ATOM 889 CB THR A 56 67.904 52.224 -33.755 1.00 0.54 C ATOM 890 OG1 THR A 56 66.664 52.737 -33.300 1.00 1.15 O ATOM 891 CG2 THR A 56 67.791 51.805 -35.230 1.00 1.16 C ATOM 0 H THR A 56 67.748 49.277 -33.934 1.00 0.49 H new ATOM 0 HA THR A 56 69.206 51.288 -32.291 1.00 0.50 H new ATOM 0 HB THR A 56 68.674 52.993 -33.686 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.453 53.561 -33.787 1.00 1.15 H new ATOM 0 HG21 THR A 56 67.501 52.666 -35.832 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.753 51.428 -35.576 1.00 1.16 H new ATOM 0 HG23 THR A 56 67.038 51.023 -35.329 1.00 1.16 H new ATOM 899 N ASP A 57 66.787 51.628 -31.070 1.00 0.58 N ATOM 900 CA ASP A 57 65.731 51.327 -30.063 1.00 0.60 C ATOM 901 C ASP A 57 64.367 51.790 -30.580 1.00 0.59 C ATOM 902 O ASP A 57 64.141 52.963 -30.802 1.00 0.72 O ATOM 903 CB ASP A 57 66.118 52.123 -28.819 1.00 0.71 C ATOM 904 CG ASP A 57 66.347 51.169 -27.647 1.00 0.95 C ATOM 905 OD1 ASP A 57 67.245 50.350 -27.742 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.619 51.273 -26.673 1.00 1.47 O ATOM 0 H ASP A 57 67.114 52.594 -31.085 1.00 0.58 H new ATOM 0 HA ASP A 57 65.657 50.259 -29.856 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.022 52.701 -29.012 1.00 0.71 H new ATOM 0 HB3 ASP A 57 65.331 52.835 -28.572 1.00 0.71 H new ATOM 911 N ARG A 58 63.454 50.880 -30.773 1.00 0.56 N ATOM 912 CA ARG A 58 62.115 51.282 -31.270 1.00 0.61 C ATOM 913 C ARG A 58 62.250 51.952 -32.638 1.00 0.60 C ATOM 914 O ARG A 58 61.791 53.057 -32.848 1.00 0.87 O ATOM 915 CB ARG A 58 61.599 52.281 -30.238 1.00 0.73 C ATOM 916 CG ARG A 58 60.101 52.489 -30.440 1.00 0.93 C ATOM 917 CD ARG A 58 59.354 52.003 -29.200 1.00 1.16 C ATOM 918 NE ARG A 58 58.091 52.789 -29.184 1.00 1.10 N ATOM 919 CZ ARG A 58 57.774 53.494 -28.135 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.703 54.124 -27.467 1.00 1.52 N ATOM 921 NH2 ARG A 58 56.530 53.571 -27.756 1.00 1.91 N ATOM 0 H ARG A 58 63.578 49.881 -30.608 1.00 0.56 H new ATOM 0 HA ARG A 58 61.441 50.434 -31.390 1.00 0.61 H new ATOM 0 HB2 ARG A 58 61.794 51.913 -29.231 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.126 53.230 -30.339 1.00 0.73 H new ATOM 0 HG2 ARG A 58 59.889 53.543 -30.617 1.00 0.93 H new ATOM 0 HG3 ARG A 58 59.762 51.944 -31.321 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.153 50.933 -29.253 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.937 52.173 -28.295 1.00 1.16 H new ATOM 0 HE ARG A 58 57.473 52.776 -29.995 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.676 54.064 -27.767 1.00 1.52 H new ATOM 0 HH12 ARG A 58 58.455 54.676 -26.646 1.00 1.52 H new ATOM 0 HH21 ARG A 58 55.806 53.080 -28.280 1.00 1.91 H new ATOM 0 HH22 ARG A 58 56.280 54.122 -26.935 1.00 1.91 H new ATOM 935 N CYS A 59 62.876 51.292 -33.570 1.00 0.44 N ATOM 936 CA CYS A 59 63.038 51.896 -34.917 1.00 0.47 C ATOM 937 C CYS A 59 62.168 51.151 -35.941 1.00 0.60 C ATOM 938 O CYS A 59 62.517 51.041 -37.101 1.00 1.14 O ATOM 939 CB CYS A 59 64.540 51.770 -35.234 1.00 0.42 C ATOM 940 SG CYS A 59 65.019 50.032 -35.258 1.00 0.84 S ATOM 0 H CYS A 59 63.281 50.363 -33.457 1.00 0.44 H new ATOM 0 HA CYS A 59 62.717 52.937 -34.954 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.757 52.229 -36.199 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.124 52.307 -34.487 1.00 0.42 H new ATOM 945 N ASN A 60 61.016 50.663 -35.525 1.00 0.52 N ATOM 946 CA ASN A 60 60.106 49.958 -36.483 1.00 0.55 C ATOM 947 C ASN A 60 58.650 50.100 -36.035 1.00 0.71 C ATOM 948 O ASN A 60 57.909 49.143 -36.176 1.00 1.39 O ATOM 949 CB ASN A 60 60.544 48.483 -36.503 1.00 0.41 C ATOM 950 CG ASN A 60 59.924 47.687 -35.342 1.00 0.36 C ATOM 951 OD1 ASN A 60 59.971 48.108 -34.202 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.360 46.521 -35.586 1.00 0.40 N ATOM 953 OXT ASN A 60 58.304 51.165 -35.546 1.00 1.25 O ATOM 0 H ASN A 60 60.672 50.724 -34.567 1.00 0.52 H new ATOM 0 HA ASN A 60 60.171 50.387 -37.483 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.252 48.030 -37.451 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.631 48.426 -36.443 1.00 0.41 H new ATOM 0 HD21 ASN A 60 58.965 45.975 -34.820 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.319 46.164 -36.541 1.00 0.40 H new