USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= -5.96! C(o=-9!,f=-16!) USER MOD Set 1.2: A 55 ASN : amide:sc= -3.02! C(o=-9!,f=-19!) USER MOD Set 2.1: A 1 LEU N :NH3+ -101:sc= 0.0583 (180deg=0) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.6! C(o=-3.6!,f=-3.9!) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0.0232 (180deg=0.000194) 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= 0.053 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -162:sc= -1.54 (180deg=-3.15!) USER MOD Single : A 26 MET CE :methyl -167:sc= -1.18 (180deg=-1.88) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00264 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.788! (180deg=-2.47!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= -0.145 (180deg=-1.33!) USER MOD Single : A 45 SER OG : rot 150:sc= -1.7! USER MOD Single : A 46 SER OG : rot 180:sc= 0.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 60:sc= 0.653 USER MOD Single : A 60 ASN : amide:sc= -6.18! C(o=-6.2!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.456 45.472 -24.932 1.00 1.26 N ATOM 2 CA LEU A 1 66.142 46.326 -26.114 1.00 0.65 C ATOM 3 C LEU A 1 64.684 46.123 -26.543 1.00 0.58 C ATOM 4 O LEU A 1 64.067 45.122 -26.230 1.00 0.77 O ATOM 5 CB LEU A 1 67.109 45.847 -27.195 1.00 1.19 C ATOM 6 CG LEU A 1 66.662 46.351 -28.567 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.940 47.848 -28.683 1.00 1.38 C ATOM 8 CD2 LEU A 1 67.440 45.602 -29.653 1.00 1.53 C ATOM 0 H1 LEU A 1 66.432 46.052 -24.069 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.752 44.710 -24.857 1.00 1.26 H new ATOM 0 H3 LEU A 1 67.403 45.058 -25.045 1.00 1.26 H new ATOM 0 HA LEU A 1 66.254 47.391 -25.910 1.00 0.65 H new ATOM 0 HB2 LEU A 1 68.115 46.206 -26.978 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.153 44.758 -27.197 1.00 1.19 H new ATOM 0 HG LEU A 1 65.593 46.175 -28.689 1.00 1.07 H new ATOM 0 HD11 LEU A 1 66.620 48.203 -29.663 1.00 1.38 H new ATOM 0 HD12 LEU A 1 66.391 48.381 -27.907 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.008 48.030 -28.563 1.00 1.38 H new ATOM 0 HD21 LEU A 1 67.126 45.956 -30.635 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.507 45.782 -29.526 1.00 1.53 H new ATOM 0 HD23 LEU A 1 67.241 44.533 -29.572 1.00 1.53 H new ATOM 22 N LYS A 2 64.126 47.070 -27.252 1.00 0.45 N ATOM 23 CA LYS A 2 62.707 46.936 -27.691 1.00 0.53 C ATOM 24 C LYS A 2 62.552 47.369 -29.152 1.00 0.43 C ATOM 25 O LYS A 2 63.416 48.011 -29.719 1.00 0.59 O ATOM 26 CB LYS A 2 61.910 47.853 -26.749 1.00 0.71 C ATOM 27 CG LYS A 2 61.930 49.301 -27.261 1.00 1.14 C ATOM 28 CD LYS A 2 61.744 50.276 -26.091 1.00 1.23 C ATOM 29 CE LYS A 2 62.751 49.959 -24.983 1.00 1.98 C ATOM 30 NZ LYS A 2 63.153 51.284 -24.433 1.00 2.63 N ATOM 0 H LYS A 2 64.592 47.929 -27.545 1.00 0.45 H new ATOM 0 HA LYS A 2 62.354 45.906 -27.641 1.00 0.53 H new ATOM 0 HB2 LYS A 2 60.881 47.502 -26.675 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.334 47.810 -25.746 1.00 0.71 H new ATOM 0 HG2 LYS A 2 62.874 49.503 -27.767 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.138 49.446 -27.995 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.880 51.301 -26.436 1.00 1.23 H new ATOM 0 HD3 LYS A 2 60.728 50.202 -25.703 1.00 1.23 H new ATOM 0 HE2 LYS A 2 62.304 49.331 -24.212 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.612 49.418 -25.376 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 63.843 51.147 -23.667 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.582 51.857 -25.187 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 62.315 51.774 -24.060 1.00 2.63 H new ATOM 44 N CYS A 3 61.455 47.016 -29.763 1.00 0.40 N ATOM 45 CA CYS A 3 61.235 47.398 -31.189 1.00 0.40 C ATOM 46 C CYS A 3 59.755 47.693 -31.438 1.00 0.40 C ATOM 47 O CYS A 3 58.888 47.004 -30.940 1.00 0.44 O ATOM 48 CB CYS A 3 61.687 46.180 -31.990 1.00 0.54 C ATOM 49 SG CYS A 3 63.493 46.103 -31.952 1.00 0.68 S ATOM 0 H CYS A 3 60.700 46.479 -29.337 1.00 0.40 H new ATOM 0 HA CYS A 3 61.783 48.298 -31.469 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.261 45.270 -31.568 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.333 46.251 -33.018 1.00 0.54 H new ATOM 54 N ASN A 4 59.459 48.714 -32.201 1.00 0.43 N ATOM 55 CA ASN A 4 58.031 49.048 -32.473 1.00 0.49 C ATOM 56 C ASN A 4 57.240 47.764 -32.737 1.00 0.49 C ATOM 57 O ASN A 4 57.735 46.832 -33.338 1.00 0.55 O ATOM 58 CB ASN A 4 58.056 49.942 -33.711 1.00 0.60 C ATOM 59 CG ASN A 4 57.739 51.379 -33.296 1.00 0.99 C ATOM 60 OD1 ASN A 4 56.814 51.616 -32.544 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.474 52.355 -33.754 1.00 1.09 N ATOM 0 H ASN A 4 60.142 49.328 -32.645 1.00 0.43 H new ATOM 0 HA ASN A 4 57.551 49.549 -31.632 1.00 0.49 H new ATOM 0 HB2 ASN A 4 59.035 49.896 -34.189 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.327 49.592 -34.442 1.00 0.60 H new ATOM 0 HD21 ASN A 4 58.272 53.317 -33.481 1.00 1.09 H new ATOM 0 HD22 ASN A 4 59.250 52.156 -34.385 1.00 1.09 H new ATOM 68 N LYS A 5 56.027 47.691 -32.258 1.00 0.52 N ATOM 69 CA LYS A 5 55.221 46.479 -32.434 1.00 0.60 C ATOM 70 C LYS A 5 54.287 46.636 -33.637 1.00 0.71 C ATOM 71 O LYS A 5 54.052 47.724 -34.124 1.00 1.48 O ATOM 72 CB LYS A 5 54.482 46.419 -31.094 1.00 0.68 C ATOM 73 CG LYS A 5 53.092 45.827 -31.232 1.00 1.03 C ATOM 74 CD LYS A 5 53.079 44.481 -30.530 1.00 1.48 C ATOM 75 CE LYS A 5 53.323 44.679 -29.033 1.00 1.84 C ATOM 76 NZ LYS A 5 52.058 44.248 -28.377 1.00 2.49 N ATOM 0 H LYS A 5 55.565 48.441 -31.745 1.00 0.52 H new ATOM 0 HA LYS A 5 55.777 45.567 -32.649 1.00 0.60 H new ATOM 0 HB2 LYS A 5 55.061 45.823 -30.388 1.00 0.68 H new ATOM 0 HB3 LYS A 5 54.408 47.423 -30.677 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.350 46.493 -30.792 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.831 45.710 -32.284 1.00 1.03 H new ATOM 0 HD2 LYS A 5 52.121 43.986 -30.690 1.00 1.48 H new ATOM 0 HD3 LYS A 5 53.847 43.833 -30.951 1.00 1.48 H new ATOM 0 HE2 LYS A 5 54.169 44.084 -28.689 1.00 1.84 H new ATOM 0 HE3 LYS A 5 53.552 45.720 -28.804 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 52.202 44.193 -27.348 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 51.307 44.937 -28.585 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.780 43.313 -28.739 1.00 2.49 H new ATOM 90 N LEU A 6 53.769 45.544 -34.119 1.00 0.53 N ATOM 91 CA LEU A 6 52.857 45.581 -35.294 1.00 0.57 C ATOM 92 C LEU A 6 51.939 46.814 -35.256 1.00 0.62 C ATOM 93 O LEU A 6 51.513 47.302 -36.284 1.00 0.72 O ATOM 94 CB LEU A 6 52.054 44.286 -35.186 1.00 0.59 C ATOM 95 CG LEU A 6 52.332 43.410 -36.405 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.658 42.047 -36.226 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.780 44.090 -37.659 1.00 0.78 C ATOM 0 H LEU A 6 53.942 44.612 -33.743 1.00 0.53 H new ATOM 0 HA LEU A 6 53.400 45.656 -36.236 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.323 43.754 -34.274 1.00 0.59 H new ATOM 0 HB3 LEU A 6 50.989 44.510 -35.122 1.00 0.59 H new ATOM 0 HG LEU A 6 53.408 43.270 -36.510 1.00 0.70 H new ATOM 0 HD11 LEU A 6 51.859 41.425 -37.098 1.00 1.22 H new ATOM 0 HD12 LEU A 6 52.053 41.560 -35.334 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.582 42.184 -36.118 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.979 43.465 -38.529 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.705 44.232 -37.552 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.263 45.058 -37.790 1.00 0.78 H new ATOM 109 N VAL A 7 51.633 47.334 -34.094 1.00 0.61 N ATOM 110 CA VAL A 7 50.751 48.540 -34.046 1.00 0.71 C ATOM 111 C VAL A 7 51.580 49.784 -33.702 1.00 0.70 C ATOM 112 O VAL A 7 52.369 49.756 -32.777 1.00 0.62 O ATOM 113 CB VAL A 7 49.729 48.262 -32.945 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.848 49.500 -32.753 1.00 0.93 C ATOM 115 CG2 VAL A 7 48.855 47.076 -33.355 1.00 0.79 C ATOM 0 H VAL A 7 51.950 46.983 -33.190 1.00 0.61 H new ATOM 0 HA VAL A 7 50.266 48.727 -35.004 1.00 0.71 H new ATOM 0 HB VAL A 7 50.245 48.030 -32.013 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.116 49.308 -31.968 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.470 50.349 -32.469 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.330 49.726 -33.685 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.124 46.875 -32.572 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.336 47.311 -34.284 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.481 46.196 -33.502 1.00 0.79 H new ATOM 125 N PRO A 8 51.388 50.843 -34.455 1.00 0.84 N ATOM 126 CA PRO A 8 52.144 52.098 -34.216 1.00 0.91 C ATOM 127 C PRO A 8 51.729 52.752 -32.890 1.00 0.92 C ATOM 128 O PRO A 8 51.400 53.921 -32.843 1.00 1.21 O ATOM 129 CB PRO A 8 51.729 52.970 -35.404 1.00 1.09 C ATOM 130 CG PRO A 8 50.737 52.178 -36.276 1.00 1.12 C ATOM 131 CD PRO A 8 50.421 50.849 -35.577 1.00 0.97 C ATOM 0 HA PRO A 8 53.220 51.944 -34.141 1.00 0.91 H new ATOM 0 HB2 PRO A 8 51.269 53.893 -35.052 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.604 53.253 -35.989 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.823 52.753 -36.426 1.00 1.12 H new ATOM 0 HG3 PRO A 8 51.164 51.994 -37.262 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.390 50.810 -35.225 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.564 49.997 -36.241 1.00 0.97 H new ATOM 139 N LEU A 9 51.758 52.015 -31.814 1.00 0.78 N ATOM 140 CA LEU A 9 51.386 52.589 -30.497 1.00 0.82 C ATOM 141 C LEU A 9 52.288 51.994 -29.418 1.00 0.72 C ATOM 142 O LEU A 9 52.791 52.686 -28.555 1.00 0.84 O ATOM 143 CB LEU A 9 49.931 52.177 -30.274 1.00 0.87 C ATOM 144 CG LEU A 9 49.019 53.005 -31.176 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.640 52.346 -31.244 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.884 54.417 -30.602 1.00 1.60 C ATOM 0 H LEU A 9 52.026 51.031 -31.794 1.00 0.78 H new ATOM 0 HA LEU A 9 51.500 53.672 -30.461 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.806 51.116 -30.490 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.657 52.324 -29.229 1.00 0.87 H new ATOM 0 HG LEU A 9 49.445 53.060 -32.178 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.987 52.935 -31.887 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.738 51.339 -31.650 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.212 52.294 -30.243 1.00 1.82 H new ATOM 0 HD21 LEU A 9 48.233 55.010 -31.244 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.455 54.364 -29.601 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.867 54.885 -30.551 1.00 1.60 H new ATOM 158 N PHE A 10 52.506 50.710 -29.471 1.00 0.57 N ATOM 159 CA PHE A 10 53.385 50.053 -28.460 1.00 0.55 C ATOM 160 C PHE A 10 54.531 49.325 -29.169 1.00 0.49 C ATOM 161 O PHE A 10 54.728 49.473 -30.359 1.00 0.52 O ATOM 162 CB PHE A 10 52.497 49.054 -27.692 1.00 0.62 C ATOM 163 CG PHE A 10 51.209 48.765 -28.443 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.190 49.724 -28.473 1.00 0.77 C ATOM 165 CD2 PHE A 10 51.029 47.537 -29.094 1.00 0.75 C ATOM 166 CE1 PHE A 10 48.995 49.460 -29.150 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.831 47.273 -29.770 1.00 0.89 C ATOM 168 CZ PHE A 10 48.815 48.235 -29.797 1.00 0.94 C ATOM 0 H PHE A 10 52.112 50.084 -30.173 1.00 0.57 H new ATOM 0 HA PHE A 10 53.828 50.779 -27.778 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.044 48.125 -27.535 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.263 49.456 -26.706 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.327 50.671 -27.972 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.813 46.795 -29.074 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.212 50.203 -29.173 1.00 0.92 H new ATOM 0 HE2 PHE A 10 49.691 46.326 -30.271 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.891 48.030 -30.318 1.00 0.94 H new ATOM 178 N TYR A 11 55.295 48.542 -28.453 1.00 0.47 N ATOM 179 CA TYR A 11 56.421 47.820 -29.112 1.00 0.44 C ATOM 180 C TYR A 11 56.674 46.461 -28.457 1.00 0.49 C ATOM 181 O TYR A 11 55.938 46.020 -27.597 1.00 0.62 O ATOM 182 CB TYR A 11 57.642 48.728 -28.964 1.00 0.42 C ATOM 183 CG TYR A 11 57.697 49.312 -27.574 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.946 50.452 -27.262 1.00 0.70 C ATOM 185 CD2 TYR A 11 58.513 48.724 -26.602 1.00 0.69 C ATOM 186 CE1 TYR A 11 57.015 51.003 -25.977 1.00 0.76 C ATOM 187 CE2 TYR A 11 58.579 49.273 -25.318 1.00 0.80 C ATOM 188 CZ TYR A 11 57.831 50.414 -25.005 1.00 0.67 C ATOM 189 OH TYR A 11 57.900 50.960 -23.739 1.00 0.83 O ATOM 0 H TYR A 11 55.190 48.373 -27.453 1.00 0.47 H new ATOM 0 HA TYR A 11 56.195 47.615 -30.158 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.551 48.161 -29.163 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.598 49.530 -29.701 1.00 0.42 H new ATOM 0 HD1 TYR A 11 56.314 50.905 -28.012 1.00 0.70 H new ATOM 0 HD2 TYR A 11 59.092 47.845 -26.844 1.00 0.69 H new ATOM 0 HE1 TYR A 11 56.438 51.883 -25.736 1.00 0.76 H new ATOM 0 HE2 TYR A 11 59.207 48.817 -24.567 1.00 0.80 H new ATOM 0 HH TYR A 11 58.511 50.429 -23.187 1.00 0.83 H new ATOM 199 N LYS A 12 57.713 45.793 -28.879 1.00 0.50 N ATOM 200 CA LYS A 12 58.036 44.451 -28.316 1.00 0.59 C ATOM 201 C LYS A 12 59.478 44.445 -27.792 1.00 0.49 C ATOM 202 O LYS A 12 60.260 45.321 -28.101 1.00 0.49 O ATOM 203 CB LYS A 12 57.884 43.508 -29.511 1.00 0.74 C ATOM 204 CG LYS A 12 57.946 42.045 -29.070 1.00 1.20 C ATOM 205 CD LYS A 12 59.048 41.342 -29.864 1.00 1.50 C ATOM 206 CE LYS A 12 59.086 39.855 -29.497 1.00 1.68 C ATOM 207 NZ LYS A 12 58.502 39.143 -30.670 1.00 2.19 N ATOM 0 H LYS A 12 58.358 46.123 -29.597 1.00 0.50 H new ATOM 0 HA LYS A 12 57.398 44.165 -27.480 1.00 0.59 H new ATOM 0 HB2 LYS A 12 56.935 43.700 -30.011 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.673 43.706 -30.237 1.00 0.74 H new ATOM 0 HG2 LYS A 12 58.150 41.980 -28.001 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.986 41.557 -29.241 1.00 1.20 H new ATOM 0 HD2 LYS A 12 58.868 41.457 -30.933 1.00 1.50 H new ATOM 0 HD3 LYS A 12 60.012 41.803 -29.651 1.00 1.50 H new ATOM 0 HE2 LYS A 12 60.106 39.524 -29.304 1.00 1.68 H new ATOM 0 HE3 LYS A 12 58.511 39.659 -28.592 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 58.497 38.119 -30.487 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 57.528 39.472 -30.826 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 59.074 39.341 -31.516 1.00 2.19 H new ATOM 221 N THR A 13 59.834 43.468 -27.006 1.00 0.64 N ATOM 222 CA THR A 13 61.229 43.410 -26.468 1.00 0.62 C ATOM 223 C THR A 13 62.103 42.545 -27.386 1.00 0.66 C ATOM 224 O THR A 13 61.621 41.956 -28.332 1.00 0.75 O ATOM 225 CB THR A 13 61.097 42.775 -25.078 1.00 0.70 C ATOM 226 OG1 THR A 13 59.723 42.730 -24.705 1.00 1.06 O ATOM 227 CG2 THR A 13 61.880 43.605 -24.055 1.00 1.08 C ATOM 0 H THR A 13 59.223 42.706 -26.711 1.00 0.64 H new ATOM 0 HA THR A 13 61.699 44.392 -26.414 1.00 0.62 H new ATOM 0 HB THR A 13 61.500 41.762 -25.103 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.638 42.323 -23.818 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.784 43.151 -23.069 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.932 43.636 -24.340 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.482 44.619 -24.028 1.00 1.08 H new ATOM 235 N CYS A 14 63.383 42.470 -27.126 1.00 0.65 N ATOM 236 CA CYS A 14 64.268 41.648 -28.010 1.00 0.76 C ATOM 237 C CYS A 14 65.094 40.650 -27.175 1.00 0.87 C ATOM 238 O CYS A 14 65.666 41.015 -26.167 1.00 0.99 O ATOM 239 CB CYS A 14 65.184 42.657 -28.718 1.00 0.75 C ATOM 240 SG CYS A 14 64.248 44.143 -29.184 1.00 1.34 S ATOM 0 H CYS A 14 63.851 42.936 -26.349 1.00 0.65 H new ATOM 0 HA CYS A 14 63.694 41.055 -28.722 1.00 0.76 H new ATOM 0 HB2 CYS A 14 66.010 42.931 -28.062 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.620 42.201 -29.607 1.00 0.75 H new ATOM 245 N PRO A 15 65.118 39.411 -27.621 1.00 1.06 N ATOM 246 CA PRO A 15 65.865 38.339 -26.910 1.00 1.31 C ATOM 247 C PRO A 15 67.364 38.580 -26.920 1.00 1.16 C ATOM 248 O PRO A 15 67.907 38.990 -27.893 1.00 1.40 O ATOM 249 CB PRO A 15 65.549 37.109 -27.737 1.00 1.54 C ATOM 250 CG PRO A 15 64.626 37.501 -28.886 1.00 1.54 C ATOM 251 CD PRO A 15 64.405 39.012 -28.853 1.00 1.24 C ATOM 0 HA PRO A 15 65.583 38.270 -25.859 1.00 1.31 H new ATOM 0 HB2 PRO A 15 66.468 36.672 -28.126 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.074 36.350 -27.115 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.065 37.205 -29.839 1.00 1.54 H new ATOM 0 HG3 PRO A 15 63.673 36.979 -28.798 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.815 39.502 -29.736 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.346 39.267 -28.810 1.00 1.24 H new ATOM 259 N ALA A 16 68.018 38.287 -25.843 1.00 1.32 N ATOM 260 CA ALA A 16 69.510 38.485 -25.753 1.00 1.21 C ATOM 261 C ALA A 16 70.207 38.329 -27.121 1.00 0.92 C ATOM 262 O ALA A 16 69.883 37.453 -27.898 1.00 1.02 O ATOM 263 CB ALA A 16 69.986 37.393 -24.795 1.00 1.58 C ATOM 0 H ALA A 16 67.589 37.911 -24.998 1.00 1.32 H new ATOM 0 HA ALA A 16 69.751 39.492 -25.413 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.067 37.463 -24.671 1.00 1.58 H new ATOM 0 HB2 ALA A 16 69.501 37.521 -23.827 1.00 1.58 H new ATOM 0 HB3 ALA A 16 69.731 36.415 -25.202 1.00 1.58 H new ATOM 269 N GLY A 17 71.172 39.181 -27.407 1.00 0.84 N ATOM 270 CA GLY A 17 71.912 39.100 -28.710 1.00 0.75 C ATOM 271 C GLY A 17 71.163 39.874 -29.805 1.00 0.63 C ATOM 272 O GLY A 17 70.962 39.369 -30.887 1.00 0.83 O ATOM 0 H GLY A 17 71.478 39.932 -26.788 1.00 0.84 H new ATOM 0 HA2 GLY A 17 72.916 39.508 -28.590 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.025 38.057 -29.006 1.00 0.75 H new ATOM 276 N LYS A 18 70.733 41.082 -29.534 1.00 0.60 N ATOM 277 CA LYS A 18 69.978 41.861 -30.579 1.00 0.58 C ATOM 278 C LYS A 18 70.188 43.379 -30.435 1.00 0.59 C ATOM 279 O LYS A 18 70.369 43.904 -29.359 1.00 0.88 O ATOM 280 CB LYS A 18 68.498 41.510 -30.353 1.00 0.71 C ATOM 281 CG LYS A 18 68.275 41.126 -28.897 1.00 1.60 C ATOM 282 CD LYS A 18 68.682 42.241 -27.931 1.00 2.39 C ATOM 283 CE LYS A 18 68.876 41.639 -26.535 1.00 2.98 C ATOM 284 NZ LYS A 18 68.998 42.803 -25.611 1.00 3.59 N ATOM 0 H LYS A 18 70.868 41.563 -28.645 1.00 0.60 H new ATOM 0 HA LYS A 18 70.326 41.603 -31.579 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.869 42.361 -30.615 1.00 0.71 H new ATOM 0 HB3 LYS A 18 68.207 40.686 -31.005 1.00 0.71 H new ATOM 0 HG2 LYS A 18 67.223 40.883 -28.745 1.00 1.60 H new ATOM 0 HG3 LYS A 18 68.846 40.226 -28.670 1.00 1.60 H new ATOM 0 HD2 LYS A 18 69.603 42.715 -28.269 1.00 2.39 H new ATOM 0 HD3 LYS A 18 67.916 43.016 -27.905 1.00 2.39 H new ATOM 0 HE2 LYS A 18 68.032 41.007 -26.260 1.00 2.98 H new ATOM 0 HE3 LYS A 18 69.768 41.014 -26.498 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 69.604 42.545 -24.806 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 69.420 43.607 -26.119 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 68.055 43.070 -25.263 1.00 3.59 H new ATOM 298 N ASN A 19 70.127 44.101 -31.514 1.00 0.40 N ATOM 299 CA ASN A 19 70.262 45.575 -31.421 1.00 0.50 C ATOM 300 C ASN A 19 69.457 46.214 -32.555 1.00 0.47 C ATOM 301 O ASN A 19 69.606 47.382 -32.856 1.00 0.60 O ATOM 302 CB ASN A 19 71.754 45.878 -31.544 1.00 0.65 C ATOM 303 CG ASN A 19 72.290 45.350 -32.873 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.676 44.509 -33.498 1.00 1.93 O ATOM 305 ND2 ASN A 19 73.425 45.804 -33.328 1.00 1.75 N ATOM 0 H ASN A 19 69.990 43.734 -32.456 1.00 0.40 H new ATOM 0 HA ASN A 19 69.880 45.976 -30.482 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.921 46.953 -31.477 1.00 0.65 H new ATOM 0 HB3 ASN A 19 72.295 45.419 -30.717 1.00 0.65 H new ATOM 0 HD21 ASN A 19 73.798 45.453 -34.210 1.00 1.75 H new ATOM 0 HD22 ASN A 19 73.939 46.510 -32.802 1.00 1.75 H new ATOM 312 N LEU A 20 68.605 45.448 -33.198 1.00 0.40 N ATOM 313 CA LEU A 20 67.805 46.010 -34.316 1.00 0.48 C ATOM 314 C LEU A 20 66.329 45.701 -34.141 1.00 0.38 C ATOM 315 O LEU A 20 65.882 45.204 -33.126 1.00 0.56 O ATOM 316 CB LEU A 20 68.289 45.302 -35.591 1.00 0.64 C ATOM 317 CG LEU A 20 69.800 45.133 -35.575 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.136 43.676 -35.851 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.430 46.006 -36.662 1.00 1.34 C ATOM 0 H LEU A 20 68.435 44.463 -32.992 1.00 0.40 H new ATOM 0 HA LEU A 20 67.928 47.092 -34.356 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.810 44.326 -35.674 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.992 45.878 -36.467 1.00 0.64 H new ATOM 0 HG LEU A 20 70.189 45.431 -34.602 1.00 0.77 H new ATOM 0 HD11 LEU A 20 71.218 43.544 -35.842 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.687 43.047 -35.082 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.744 43.391 -36.827 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.513 45.881 -36.647 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.044 45.708 -37.637 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.182 47.051 -36.478 1.00 1.34 H new ATOM 331 N CYS A 21 65.590 45.966 -35.168 1.00 0.29 N ATOM 332 CA CYS A 21 64.130 45.684 -35.165 1.00 0.31 C ATOM 333 C CYS A 21 63.737 45.233 -36.567 1.00 0.32 C ATOM 334 O CYS A 21 64.274 45.720 -37.542 1.00 0.49 O ATOM 335 CB CYS A 21 63.459 47.012 -34.813 1.00 0.44 C ATOM 336 SG CYS A 21 64.062 47.577 -33.207 1.00 0.57 S ATOM 0 H CYS A 21 65.940 46.377 -36.034 1.00 0.29 H new ATOM 0 HA CYS A 21 63.839 44.906 -34.459 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.676 47.757 -35.579 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.376 46.890 -34.785 1.00 0.44 H new ATOM 341 N TYR A 22 62.839 44.296 -36.697 1.00 0.30 N ATOM 342 CA TYR A 22 62.484 43.839 -38.068 1.00 0.31 C ATOM 343 C TYR A 22 60.975 43.810 -38.308 1.00 0.31 C ATOM 344 O TYR A 22 60.191 43.550 -37.418 1.00 0.41 O ATOM 345 CB TYR A 22 63.059 42.428 -38.183 1.00 0.36 C ATOM 346 CG TYR A 22 62.081 41.418 -37.631 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.885 41.297 -36.249 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.377 40.603 -38.514 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.974 40.354 -35.758 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.467 39.662 -38.026 1.00 0.63 C ATOM 351 CZ TYR A 22 60.264 39.536 -36.647 1.00 0.55 C ATOM 352 OH TYR A 22 59.367 38.607 -36.162 1.00 0.66 O ATOM 0 H TYR A 22 62.346 43.836 -35.932 1.00 0.30 H new ATOM 0 HA TYR A 22 62.887 44.526 -38.813 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.277 42.201 -39.226 1.00 0.36 H new ATOM 0 HB3 TYR A 22 64.002 42.366 -37.639 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.434 41.928 -35.566 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.535 40.699 -39.578 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.818 40.257 -34.694 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.921 39.032 -38.712 1.00 0.63 H new ATOM 0 HH TYR A 22 58.960 38.124 -36.911 1.00 0.66 H new ATOM 362 N LYS A 23 60.579 44.029 -39.527 1.00 0.39 N ATOM 363 CA LYS A 23 59.135 43.967 -39.870 1.00 0.44 C ATOM 364 C LYS A 23 58.988 43.181 -41.179 1.00 0.45 C ATOM 365 O LYS A 23 59.583 43.515 -42.186 1.00 0.54 O ATOM 366 CB LYS A 23 58.678 45.416 -40.005 1.00 0.56 C ATOM 367 CG LYS A 23 59.709 46.243 -40.771 1.00 1.11 C ATOM 368 CD LYS A 23 59.014 47.498 -41.299 1.00 1.49 C ATOM 369 CE LYS A 23 60.023 48.420 -41.980 1.00 1.72 C ATOM 370 NZ LYS A 23 59.182 49.447 -42.655 1.00 2.18 N ATOM 0 H LYS A 23 61.199 44.250 -40.307 1.00 0.39 H new ATOM 0 HA LYS A 23 58.527 43.461 -39.120 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.719 45.453 -40.522 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.523 45.846 -39.016 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.540 46.514 -40.119 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.126 45.664 -41.595 1.00 1.11 H new ATOM 0 HD2 LYS A 23 58.233 47.218 -42.006 1.00 1.49 H new ATOM 0 HD3 LYS A 23 58.527 48.024 -40.478 1.00 1.49 H new ATOM 0 HE2 LYS A 23 60.700 48.873 -41.256 1.00 1.72 H new ATOM 0 HE3 LYS A 23 60.639 47.876 -42.696 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.794 50.126 -43.151 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 58.552 48.984 -43.341 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 58.611 49.950 -41.945 1.00 2.18 H new ATOM 384 N MET A 24 58.250 42.102 -41.150 1.00 0.47 N ATOM 385 CA MET A 24 58.118 41.245 -42.368 1.00 0.53 C ATOM 386 C MET A 24 56.791 41.458 -43.107 1.00 0.53 C ATOM 387 O MET A 24 55.727 41.418 -42.524 1.00 0.59 O ATOM 388 CB MET A 24 58.185 39.819 -41.819 1.00 0.63 C ATOM 389 CG MET A 24 58.004 38.812 -42.955 1.00 0.99 C ATOM 390 SD MET A 24 57.161 37.337 -42.326 1.00 1.69 S ATOM 391 CE MET A 24 58.021 37.235 -40.736 1.00 2.37 C ATOM 0 H MET A 24 57.732 41.776 -40.334 1.00 0.47 H new ATOM 0 HA MET A 24 58.892 41.478 -43.099 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.143 39.655 -41.326 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.410 39.674 -41.066 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.424 39.259 -43.762 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.974 38.540 -43.372 1.00 0.99 H new ATOM 0 HE1 MET A 24 57.897 36.236 -40.319 1.00 2.37 H new ATOM 0 HE2 MET A 24 59.082 37.438 -40.882 1.00 2.37 H new ATOM 0 HE3 MET A 24 57.602 37.970 -40.048 1.00 2.37 H new ATOM 401 N PHE A 25 56.859 41.654 -44.399 1.00 0.53 N ATOM 402 CA PHE A 25 55.616 41.828 -45.208 1.00 0.58 C ATOM 403 C PHE A 25 55.849 41.298 -46.632 1.00 0.50 C ATOM 404 O PHE A 25 56.452 40.258 -46.813 1.00 0.49 O ATOM 405 CB PHE A 25 55.303 43.331 -45.186 1.00 0.70 C ATOM 406 CG PHE A 25 56.572 44.150 -45.244 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.143 44.493 -46.481 1.00 0.84 C ATOM 408 CD2 PHE A 25 57.169 44.586 -44.054 1.00 0.78 C ATOM 409 CE1 PHE A 25 58.309 45.267 -46.519 1.00 0.86 C ATOM 410 CE2 PHE A 25 58.335 45.357 -44.095 1.00 0.83 C ATOM 411 CZ PHE A 25 58.905 45.699 -45.327 1.00 0.70 C ATOM 0 H PHE A 25 57.728 41.701 -44.931 1.00 0.53 H new ATOM 0 HA PHE A 25 54.771 41.268 -44.807 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.663 43.585 -46.031 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.748 43.577 -44.281 1.00 0.70 H new ATOM 0 HD1 PHE A 25 56.684 44.160 -47.400 1.00 0.84 H new ATOM 0 HD2 PHE A 25 56.728 44.326 -43.103 1.00 0.78 H new ATOM 0 HE1 PHE A 25 58.750 45.531 -47.469 1.00 0.86 H new ATOM 0 HE2 PHE A 25 58.796 45.689 -43.176 1.00 0.83 H new ATOM 0 HZ PHE A 25 59.804 46.296 -45.359 1.00 0.70 H new ATOM 421 N MET A 26 55.384 41.980 -47.646 1.00 0.56 N ATOM 422 CA MET A 26 55.597 41.475 -49.030 1.00 0.61 C ATOM 423 C MET A 26 56.290 42.537 -49.879 1.00 0.69 C ATOM 424 O MET A 26 56.430 43.673 -49.477 1.00 1.30 O ATOM 425 CB MET A 26 54.194 41.203 -49.572 1.00 0.72 C ATOM 426 CG MET A 26 53.759 39.789 -49.190 1.00 0.91 C ATOM 427 SD MET A 26 52.124 39.847 -48.417 1.00 1.46 S ATOM 428 CE MET A 26 52.651 40.508 -46.816 1.00 1.96 C ATOM 0 H MET A 26 54.870 42.858 -47.575 1.00 0.56 H new ATOM 0 HA MET A 26 56.227 40.586 -49.050 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.491 41.932 -49.169 1.00 0.72 H new ATOM 0 HB3 MET A 26 54.184 41.316 -50.656 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.732 39.154 -50.076 1.00 0.91 H new ATOM 0 HG3 MET A 26 54.482 39.348 -48.504 1.00 0.91 H new ATOM 0 HE1 MET A 26 51.838 40.411 -46.097 1.00 1.96 H new ATOM 0 HE2 MET A 26 53.518 39.951 -46.460 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.915 41.560 -46.926 1.00 1.96 H new ATOM 438 N VAL A 27 56.712 42.182 -51.055 1.00 0.76 N ATOM 439 CA VAL A 27 57.374 43.184 -51.928 1.00 0.80 C ATOM 440 C VAL A 27 56.331 43.803 -52.855 1.00 0.91 C ATOM 441 O VAL A 27 56.552 44.832 -53.462 1.00 1.08 O ATOM 442 CB VAL A 27 58.422 42.400 -52.709 1.00 0.93 C ATOM 443 CG1 VAL A 27 59.340 43.379 -53.439 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.243 41.555 -51.732 1.00 1.06 C ATOM 0 H VAL A 27 56.628 41.245 -51.449 1.00 0.76 H new ATOM 0 HA VAL A 27 57.835 44.002 -51.373 1.00 0.80 H new ATOM 0 HB VAL A 27 57.936 41.749 -53.436 1.00 0.93 H new ATOM 0 HG11 VAL A 27 60.092 42.824 -54.000 1.00 1.11 H new ATOM 0 HG12 VAL A 27 58.751 43.987 -54.126 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.833 44.026 -52.713 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.996 40.991 -52.283 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.735 42.208 -51.011 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.584 40.864 -51.206 1.00 1.06 H new ATOM 454 N ALA A 28 55.182 43.189 -52.945 1.00 0.94 N ATOM 455 CA ALA A 28 54.103 43.742 -53.803 1.00 1.10 C ATOM 456 C ALA A 28 53.442 44.915 -53.080 1.00 1.12 C ATOM 457 O ALA A 28 53.198 45.957 -53.653 1.00 1.33 O ATOM 458 CB ALA A 28 53.113 42.591 -53.984 1.00 1.15 C ATOM 0 H ALA A 28 54.946 42.324 -52.458 1.00 0.94 H new ATOM 0 HA ALA A 28 54.467 44.110 -54.762 1.00 1.10 H new ATOM 0 HB1 ALA A 28 52.283 42.920 -54.609 1.00 1.15 H new ATOM 0 HB2 ALA A 28 53.616 41.750 -54.462 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.734 42.281 -53.010 1.00 1.15 H new ATOM 464 N THR A 29 53.169 44.757 -51.812 1.00 1.00 N ATOM 465 CA THR A 29 52.545 45.869 -51.045 1.00 1.09 C ATOM 466 C THR A 29 53.277 46.075 -49.711 1.00 0.90 C ATOM 467 O THR A 29 52.678 45.958 -48.661 1.00 0.93 O ATOM 468 CB THR A 29 51.101 45.432 -50.799 1.00 1.33 C ATOM 469 OG1 THR A 29 50.562 44.880 -51.993 1.00 1.93 O ATOM 470 CG2 THR A 29 50.266 46.640 -50.369 1.00 1.85 C ATOM 0 H THR A 29 53.351 43.908 -51.277 1.00 1.00 H new ATOM 0 HA THR A 29 52.596 46.814 -51.586 1.00 1.09 H new ATOM 0 HB THR A 29 51.079 44.680 -50.011 1.00 1.33 H new ATOM 0 HG1 THR A 29 49.637 44.598 -51.835 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.237 46.327 -50.194 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.679 47.060 -49.452 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.287 47.395 -51.155 1.00 1.85 H new ATOM 478 N PRO A 30 54.551 46.399 -49.787 1.00 0.99 N ATOM 479 CA PRO A 30 55.360 46.648 -48.561 1.00 1.03 C ATOM 480 C PRO A 30 54.922 47.936 -47.843 1.00 0.85 C ATOM 481 O PRO A 30 55.649 48.476 -47.032 1.00 0.90 O ATOM 482 CB PRO A 30 56.774 46.822 -49.127 1.00 1.44 C ATOM 483 CG PRO A 30 56.719 46.672 -50.660 1.00 1.67 C ATOM 484 CD PRO A 30 55.256 46.515 -51.087 1.00 1.36 C ATOM 0 HA PRO A 30 55.264 45.851 -47.823 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.170 47.801 -48.858 1.00 1.44 H new ATOM 0 HB3 PRO A 30 57.446 46.078 -48.699 1.00 1.44 H new ATOM 0 HG2 PRO A 30 57.161 47.544 -51.141 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.300 45.805 -50.976 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.907 47.373 -51.662 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.108 45.632 -51.709 1.00 1.36 H new ATOM 492 N LYS A 31 53.758 48.448 -48.139 1.00 0.96 N ATOM 493 CA LYS A 31 53.308 49.704 -47.483 1.00 1.02 C ATOM 494 C LYS A 31 52.917 49.467 -46.022 1.00 0.94 C ATOM 495 O LYS A 31 52.772 50.400 -45.260 1.00 1.09 O ATOM 496 CB LYS A 31 52.094 50.146 -48.298 1.00 1.39 C ATOM 497 CG LYS A 31 52.272 51.605 -48.710 1.00 1.90 C ATOM 498 CD LYS A 31 53.384 51.701 -49.763 1.00 2.38 C ATOM 499 CE LYS A 31 53.897 53.145 -49.871 1.00 2.81 C ATOM 500 NZ LYS A 31 53.929 53.671 -48.476 1.00 3.08 N ATOM 0 H LYS A 31 53.100 48.048 -48.808 1.00 0.96 H new ATOM 0 HA LYS A 31 54.098 50.455 -47.461 1.00 1.02 H new ATOM 0 HB2 LYS A 31 51.985 49.517 -49.181 1.00 1.39 H new ATOM 0 HB3 LYS A 31 51.184 50.030 -47.710 1.00 1.39 H new ATOM 0 HG2 LYS A 31 51.339 51.998 -49.113 1.00 1.90 H new ATOM 0 HG3 LYS A 31 52.525 52.212 -47.841 1.00 1.90 H new ATOM 0 HD2 LYS A 31 54.205 51.036 -49.496 1.00 2.38 H new ATOM 0 HD3 LYS A 31 53.007 51.369 -50.730 1.00 2.38 H new ATOM 0 HE2 LYS A 31 54.888 53.175 -50.323 1.00 2.81 H new ATOM 0 HE3 LYS A 31 53.242 53.747 -50.501 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 54.592 54.471 -48.422 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 52.978 53.990 -48.204 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 54.240 52.919 -47.829 1.00 3.08 H new ATOM 514 N VAL A 32 52.745 48.242 -45.612 1.00 0.83 N ATOM 515 CA VAL A 32 52.367 48.003 -44.191 1.00 0.87 C ATOM 516 C VAL A 32 52.913 46.652 -43.712 1.00 0.69 C ATOM 517 O VAL A 32 52.428 45.613 -44.115 1.00 0.70 O ATOM 518 CB VAL A 32 50.840 48.038 -44.168 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.287 46.790 -44.842 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.350 48.100 -42.719 1.00 1.72 C ATOM 0 H VAL A 32 52.848 47.407 -46.189 1.00 0.83 H new ATOM 0 HA VAL A 32 52.786 48.752 -43.518 1.00 0.87 H new ATOM 0 HB VAL A 32 50.492 48.920 -44.705 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.198 46.819 -44.823 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.631 46.752 -45.875 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.636 45.905 -44.310 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.260 48.125 -42.704 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.700 47.221 -42.179 1.00 1.72 H new ATOM 0 HG23 VAL A 32 50.740 48.999 -42.241 1.00 1.72 H new ATOM 530 N PRO A 33 53.917 46.704 -42.868 1.00 0.67 N ATOM 531 CA PRO A 33 54.529 45.464 -42.352 1.00 0.65 C ATOM 532 C PRO A 33 53.483 44.638 -41.602 1.00 0.67 C ATOM 533 O PRO A 33 52.707 45.160 -40.827 1.00 0.79 O ATOM 534 CB PRO A 33 55.636 45.991 -41.436 1.00 0.82 C ATOM 535 CG PRO A 33 55.624 47.531 -41.476 1.00 0.91 C ATOM 536 CD PRO A 33 54.479 47.988 -42.384 1.00 0.84 C ATOM 0 HA PRO A 33 54.919 44.795 -43.119 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.481 45.639 -40.416 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.606 45.613 -41.760 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.494 47.934 -40.472 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.576 47.907 -41.850 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.739 48.574 -41.839 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.836 48.609 -43.205 1.00 0.84 H new ATOM 544 N VAL A 34 53.435 43.355 -41.844 1.00 0.64 N ATOM 545 CA VAL A 34 52.418 42.521 -41.160 1.00 0.72 C ATOM 546 C VAL A 34 52.967 41.983 -39.840 1.00 0.63 C ATOM 547 O VAL A 34 52.231 41.738 -38.909 1.00 0.79 O ATOM 548 CB VAL A 34 52.086 41.398 -42.141 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.805 42.002 -43.518 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.259 40.431 -42.247 1.00 1.19 C ATOM 0 H VAL A 34 54.054 42.855 -42.482 1.00 0.64 H new ATOM 0 HA VAL A 34 51.524 43.088 -40.901 1.00 0.72 H new ATOM 0 HB VAL A 34 51.210 40.857 -41.784 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.567 41.205 -44.223 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.962 42.689 -43.449 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.686 42.543 -43.865 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.012 39.634 -42.949 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.140 40.966 -42.601 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.465 40.000 -41.267 1.00 1.19 H new ATOM 560 N LYS A 35 54.254 41.830 -39.732 1.00 0.46 N ATOM 561 CA LYS A 35 54.823 41.351 -38.447 1.00 0.45 C ATOM 562 C LYS A 35 55.831 42.367 -37.939 1.00 0.39 C ATOM 563 O LYS A 35 56.554 42.978 -38.704 1.00 0.51 O ATOM 564 CB LYS A 35 55.511 40.028 -38.745 1.00 0.59 C ATOM 565 CG LYS A 35 54.748 38.895 -38.056 1.00 0.90 C ATOM 566 CD LYS A 35 55.669 37.685 -37.906 1.00 1.38 C ATOM 567 CE LYS A 35 55.015 36.648 -36.991 1.00 1.90 C ATOM 568 NZ LYS A 35 55.808 36.699 -35.732 1.00 2.50 N ATOM 0 H LYS A 35 54.932 42.014 -40.472 1.00 0.46 H new ATOM 0 HA LYS A 35 54.054 41.223 -37.685 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.545 39.857 -39.821 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.542 40.054 -38.393 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.395 39.221 -37.078 1.00 0.90 H new ATOM 0 HG3 LYS A 35 53.868 38.626 -38.640 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.870 37.246 -38.883 1.00 1.38 H new ATOM 0 HD3 LYS A 35 56.628 37.995 -37.492 1.00 1.38 H new ATOM 0 HE2 LYS A 35 53.967 36.886 -36.809 1.00 1.90 H new ATOM 0 HE3 LYS A 35 55.043 35.654 -37.436 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 55.422 36.015 -35.051 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 56.800 36.462 -35.937 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 55.757 37.656 -35.328 1.00 2.50 H new ATOM 582 N ARG A 36 55.880 42.557 -36.659 1.00 0.34 N ATOM 583 CA ARG A 36 56.835 43.546 -36.093 1.00 0.33 C ATOM 584 C ARG A 36 57.517 42.974 -34.845 1.00 0.36 C ATOM 585 O ARG A 36 56.877 42.703 -33.849 1.00 0.42 O ATOM 586 CB ARG A 36 55.975 44.759 -35.750 1.00 0.37 C ATOM 587 CG ARG A 36 55.810 45.637 -36.998 1.00 0.54 C ATOM 588 CD ARG A 36 55.975 47.112 -36.621 1.00 0.83 C ATOM 589 NE ARG A 36 54.635 47.724 -36.853 1.00 0.89 N ATOM 590 CZ ARG A 36 54.280 48.093 -38.055 1.00 1.07 C ATOM 591 NH1 ARG A 36 54.891 49.084 -38.642 1.00 1.76 N ATOM 592 NH2 ARG A 36 53.308 47.474 -38.668 1.00 1.27 N ATOM 0 H ARG A 36 55.300 42.071 -35.975 1.00 0.34 H new ATOM 0 HA ARG A 36 57.636 43.802 -36.786 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.999 44.436 -35.388 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.439 45.332 -34.947 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.549 45.359 -37.749 1.00 0.54 H new ATOM 0 HG3 ARG A 36 54.828 45.473 -37.442 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.284 47.221 -35.581 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.739 47.592 -37.232 1.00 0.83 H new ATOM 0 HE ARG A 36 53.994 47.855 -36.071 1.00 0.89 H new ATOM 0 HH11 ARG A 36 55.647 49.572 -38.163 1.00 1.76 H new ATOM 0 HH12 ARG A 36 54.613 49.371 -39.580 1.00 1.76 H new ATOM 0 HH21 ARG A 36 52.825 46.702 -38.209 1.00 1.27 H new ATOM 0 HH22 ARG A 36 53.031 47.762 -39.606 1.00 1.27 H new ATOM 606 N GLY A 37 58.810 42.776 -34.893 1.00 0.34 N ATOM 607 CA GLY A 37 59.511 42.206 -33.705 1.00 0.39 C ATOM 608 C GLY A 37 60.943 42.753 -33.602 1.00 0.38 C ATOM 609 O GLY A 37 61.225 43.865 -34.001 1.00 0.44 O ATOM 0 H GLY A 37 59.405 42.982 -35.695 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.957 42.451 -32.798 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.537 41.119 -33.779 1.00 0.39 H new ATOM 613 N CYS A 38 61.845 41.976 -33.049 1.00 0.40 N ATOM 614 CA CYS A 38 63.266 42.437 -32.895 1.00 0.41 C ATOM 615 C CYS A 38 64.215 41.568 -33.727 1.00 0.39 C ATOM 616 O CYS A 38 63.983 40.388 -33.897 1.00 0.42 O ATOM 617 CB CYS A 38 63.584 42.223 -31.412 1.00 0.52 C ATOM 618 SG CYS A 38 62.774 43.479 -30.398 1.00 1.14 S ATOM 0 H CYS A 38 61.659 41.038 -32.696 1.00 0.40 H new ATOM 0 HA CYS A 38 63.387 43.469 -33.224 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.254 41.231 -31.104 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.662 42.263 -31.257 1.00 0.52 H new ATOM 623 N ILE A 39 65.296 42.119 -34.234 1.00 0.38 N ATOM 624 CA ILE A 39 66.230 41.267 -35.020 1.00 0.39 C ATOM 625 C ILE A 39 67.694 41.577 -34.689 1.00 0.43 C ATOM 626 O ILE A 39 68.078 42.698 -34.413 1.00 0.48 O ATOM 627 CB ILE A 39 65.905 41.556 -36.500 1.00 0.38 C ATOM 628 CG1 ILE A 39 65.028 40.397 -37.011 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.196 41.690 -37.333 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.159 40.180 -38.528 1.00 0.42 C ATOM 0 H ILE A 39 65.562 43.099 -34.138 1.00 0.38 H new ATOM 0 HA ILE A 39 66.101 40.211 -34.783 1.00 0.39 H new ATOM 0 HB ILE A 39 65.374 42.503 -36.597 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.306 39.480 -36.491 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.986 40.600 -36.765 1.00 0.39 H new ATOM 0 HG21 ILE A 39 66.939 41.894 -38.372 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.798 42.509 -36.941 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.764 40.762 -37.275 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.520 39.352 -38.834 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.855 41.086 -39.053 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.195 39.949 -38.774 1.00 0.42 H new ATOM 642 N ASP A 40 68.502 40.564 -34.762 1.00 0.48 N ATOM 643 CA ASP A 40 69.958 40.707 -34.526 1.00 0.56 C ATOM 644 C ASP A 40 70.644 40.639 -35.891 1.00 0.58 C ATOM 645 O ASP A 40 71.725 41.152 -36.100 1.00 0.67 O ATOM 646 CB ASP A 40 70.332 39.504 -33.670 1.00 0.67 C ATOM 647 CG ASP A 40 71.844 39.283 -33.732 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.302 38.741 -34.724 1.00 1.94 O ATOM 649 OD2 ASP A 40 72.519 39.659 -32.786 1.00 2.02 O ATOM 0 H ASP A 40 68.203 39.614 -34.982 1.00 0.48 H new ATOM 0 HA ASP A 40 70.246 41.637 -34.036 1.00 0.56 H new ATOM 0 HB2 ASP A 40 70.020 39.667 -32.639 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.809 38.616 -34.024 1.00 0.67 H new ATOM 654 N VAL A 41 69.981 40.008 -36.826 1.00 0.56 N ATOM 655 CA VAL A 41 70.506 39.879 -38.209 1.00 0.63 C ATOM 656 C VAL A 41 69.327 39.963 -39.179 1.00 0.58 C ATOM 657 O VAL A 41 68.266 39.434 -38.919 1.00 0.68 O ATOM 658 CB VAL A 41 71.166 38.495 -38.286 1.00 0.76 C ATOM 659 CG1 VAL A 41 72.625 38.601 -37.845 1.00 1.54 C ATOM 660 CG2 VAL A 41 70.432 37.501 -37.377 1.00 1.57 C ATOM 0 H VAL A 41 69.073 39.567 -36.679 1.00 0.56 H new ATOM 0 HA VAL A 41 71.221 40.661 -38.463 1.00 0.63 H new ATOM 0 HB VAL A 41 71.115 38.138 -39.315 1.00 0.76 H new ATOM 0 HG11 VAL A 41 73.094 37.619 -37.900 1.00 1.54 H new ATOM 0 HG12 VAL A 41 73.154 39.292 -38.501 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.669 38.968 -36.820 1.00 1.54 H new ATOM 0 HG21 VAL A 41 70.912 36.525 -37.443 1.00 1.57 H new ATOM 0 HG22 VAL A 41 70.469 37.855 -36.347 1.00 1.57 H new ATOM 0 HG23 VAL A 41 69.393 37.416 -37.695 1.00 1.57 H new ATOM 670 N CYS A 42 69.489 40.630 -40.284 1.00 0.72 N ATOM 671 CA CYS A 42 68.357 40.741 -41.250 1.00 0.76 C ATOM 672 C CYS A 42 68.361 39.551 -42.211 1.00 0.76 C ATOM 673 O CYS A 42 69.312 39.355 -42.940 1.00 0.90 O ATOM 674 CB CYS A 42 68.606 42.043 -42.011 1.00 1.00 C ATOM 675 SG CYS A 42 67.021 42.741 -42.536 1.00 1.13 S ATOM 0 H CYS A 42 70.349 41.102 -40.562 1.00 0.72 H new ATOM 0 HA CYS A 42 67.389 40.742 -40.749 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.137 42.753 -41.376 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.239 41.855 -42.878 1.00 1.00 H new ATOM 680 N PRO A 43 67.293 38.791 -42.191 1.00 0.70 N ATOM 681 CA PRO A 43 67.190 37.618 -43.081 1.00 0.80 C ATOM 682 C PRO A 43 67.372 38.046 -44.540 1.00 0.89 C ATOM 683 O PRO A 43 67.386 39.219 -44.854 1.00 0.97 O ATOM 684 CB PRO A 43 65.770 37.116 -42.809 1.00 0.80 C ATOM 685 CG PRO A 43 65.116 38.023 -41.753 1.00 0.72 C ATOM 686 CD PRO A 43 66.143 39.059 -41.295 1.00 0.65 C ATOM 0 HA PRO A 43 67.947 36.854 -42.905 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.184 37.125 -43.728 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.795 36.085 -42.457 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.240 38.518 -42.171 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.773 37.430 -40.905 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.770 40.077 -41.407 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.408 38.931 -40.246 1.00 0.65 H new ATOM 694 N LYS A 44 67.521 37.108 -45.434 1.00 1.04 N ATOM 695 CA LYS A 44 67.710 37.477 -46.866 1.00 1.19 C ATOM 696 C LYS A 44 66.375 37.890 -47.475 1.00 1.07 C ATOM 697 O LYS A 44 65.388 37.189 -47.361 1.00 1.52 O ATOM 698 CB LYS A 44 68.234 36.217 -47.562 1.00 1.53 C ATOM 699 CG LYS A 44 69.209 35.471 -46.649 1.00 2.08 C ATOM 700 CD LYS A 44 68.606 34.116 -46.275 1.00 2.77 C ATOM 701 CE LYS A 44 69.689 33.231 -45.659 1.00 3.61 C ATOM 702 NZ LYS A 44 70.609 32.916 -46.786 1.00 4.19 N ATOM 0 H LYS A 44 67.520 36.107 -45.237 1.00 1.04 H new ATOM 0 HA LYS A 44 68.401 38.313 -46.978 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.401 35.565 -47.825 1.00 1.53 H new ATOM 0 HB3 LYS A 44 68.732 36.488 -48.493 1.00 1.53 H new ATOM 0 HG2 LYS A 44 70.165 35.331 -47.154 1.00 2.08 H new ATOM 0 HG3 LYS A 44 69.406 36.056 -45.751 1.00 2.08 H new ATOM 0 HD2 LYS A 44 67.787 34.252 -45.569 1.00 2.77 H new ATOM 0 HD3 LYS A 44 68.187 33.635 -47.159 1.00 2.77 H new ATOM 0 HE2 LYS A 44 70.212 33.748 -44.854 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.262 32.324 -45.231 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 70.976 31.949 -46.674 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 70.093 32.989 -47.686 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 71.401 33.590 -46.786 1.00 4.19 H new ATOM 716 N SER A 45 66.333 39.014 -48.129 1.00 1.01 N ATOM 717 CA SER A 45 65.057 39.454 -48.751 1.00 0.93 C ATOM 718 C SER A 45 64.626 38.438 -49.808 1.00 0.94 C ATOM 719 O SER A 45 65.436 37.708 -50.347 1.00 1.20 O ATOM 720 CB SER A 45 65.374 40.801 -49.396 1.00 1.04 C ATOM 721 OG SER A 45 64.903 41.848 -48.556 1.00 1.64 O ATOM 0 H SER A 45 67.124 39.645 -48.260 1.00 1.01 H new ATOM 0 HA SER A 45 64.244 39.536 -48.030 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.449 40.899 -49.551 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.903 40.867 -50.377 1.00 1.04 H new ATOM 0 HG SER A 45 65.472 42.638 -48.668 1.00 1.64 H new ATOM 727 N SER A 46 63.361 38.374 -50.109 1.00 0.84 N ATOM 728 CA SER A 46 62.896 37.393 -51.128 1.00 1.02 C ATOM 729 C SER A 46 62.096 38.096 -52.226 1.00 1.10 C ATOM 730 O SER A 46 62.134 39.304 -52.360 1.00 1.66 O ATOM 731 CB SER A 46 62.004 36.420 -50.361 1.00 1.08 C ATOM 732 OG SER A 46 61.578 35.385 -51.237 1.00 1.49 O ATOM 0 H SER A 46 62.631 38.955 -49.696 1.00 0.84 H new ATOM 0 HA SER A 46 63.729 36.889 -51.619 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.549 35.997 -49.517 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.141 36.945 -49.952 1.00 1.08 H new ATOM 0 HG SER A 46 61.006 34.757 -50.748 1.00 1.49 H new ATOM 738 N LEU A 47 61.372 37.347 -53.012 1.00 1.13 N ATOM 739 CA LEU A 47 60.568 37.967 -54.103 1.00 1.25 C ATOM 740 C LEU A 47 59.130 38.195 -53.630 1.00 0.98 C ATOM 741 O LEU A 47 58.401 38.986 -54.195 1.00 1.23 O ATOM 742 CB LEU A 47 60.602 36.955 -55.251 1.00 1.60 C ATOM 743 CG LEU A 47 60.959 37.672 -56.558 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.647 36.693 -57.511 1.00 2.75 C ATOM 745 CD2 LEU A 47 59.682 38.202 -57.215 1.00 2.50 C ATOM 0 H LEU A 47 61.303 36.332 -52.946 1.00 1.13 H new ATOM 0 HA LEU A 47 60.962 38.937 -54.407 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.334 36.175 -55.040 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.633 36.465 -55.346 1.00 1.60 H new ATOM 0 HG LEU A 47 61.632 38.502 -56.341 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.900 37.206 -58.439 1.00 2.75 H new ATOM 0 HD12 LEU A 47 62.557 36.313 -57.047 1.00 2.75 H new ATOM 0 HD13 LEU A 47 60.975 35.862 -57.727 1.00 2.75 H new ATOM 0 HD21 LEU A 47 59.936 38.712 -58.144 1.00 2.50 H new ATOM 0 HD22 LEU A 47 59.011 37.370 -57.429 1.00 2.50 H new ATOM 0 HD23 LEU A 47 59.189 38.902 -56.540 1.00 2.50 H new ATOM 757 N LEU A 48 58.714 37.515 -52.593 1.00 0.79 N ATOM 758 CA LEU A 48 57.322 37.708 -52.090 1.00 0.85 C ATOM 759 C LEU A 48 57.344 38.142 -50.623 1.00 0.71 C ATOM 760 O LEU A 48 56.477 38.858 -50.168 1.00 0.92 O ATOM 761 CB LEU A 48 56.636 36.349 -52.241 1.00 1.16 C ATOM 762 CG LEU A 48 55.428 36.487 -53.173 1.00 1.67 C ATOM 763 CD1 LEU A 48 54.647 35.173 -53.198 1.00 2.36 C ATOM 764 CD2 LEU A 48 54.510 37.605 -52.667 1.00 2.47 C ATOM 0 H LEU A 48 59.275 36.838 -52.075 1.00 0.79 H new ATOM 0 HA LEU A 48 56.794 38.485 -52.644 1.00 0.85 H new ATOM 0 HB2 LEU A 48 57.338 35.618 -52.643 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.316 35.981 -51.266 1.00 1.16 H new ATOM 0 HG LEU A 48 55.778 36.727 -54.177 1.00 1.67 H new ATOM 0 HD11 LEU A 48 53.788 35.273 -53.861 1.00 2.36 H new ATOM 0 HD12 LEU A 48 55.293 34.373 -53.559 1.00 2.36 H new ATOM 0 HD13 LEU A 48 54.302 34.935 -52.192 1.00 2.36 H new ATOM 0 HD21 LEU A 48 53.652 37.700 -53.332 1.00 2.47 H new ATOM 0 HD22 LEU A 48 54.165 37.365 -51.661 1.00 2.47 H new ATOM 0 HD23 LEU A 48 55.060 38.546 -52.647 1.00 2.47 H new ATOM 776 N VAL A 49 58.333 37.726 -49.879 1.00 0.54 N ATOM 777 CA VAL A 49 58.406 38.136 -48.447 1.00 0.49 C ATOM 778 C VAL A 49 59.626 39.041 -48.238 1.00 0.42 C ATOM 779 O VAL A 49 60.647 38.877 -48.875 1.00 0.58 O ATOM 780 CB VAL A 49 58.519 36.828 -47.649 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.897 36.190 -47.849 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.312 37.123 -46.162 1.00 1.13 C ATOM 0 H VAL A 49 59.091 37.123 -50.199 1.00 0.54 H new ATOM 0 HA VAL A 49 57.535 38.705 -48.124 1.00 0.49 H new ATOM 0 HB VAL A 49 57.756 36.135 -48.004 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.956 35.265 -47.275 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.047 35.972 -48.906 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.670 36.879 -47.508 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.392 36.197 -45.593 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.073 37.825 -45.821 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.324 37.558 -46.011 1.00 1.13 H new ATOM 792 N LYS A 50 59.524 40.016 -47.377 1.00 0.40 N ATOM 793 CA LYS A 50 60.678 40.937 -47.168 1.00 0.42 C ATOM 794 C LYS A 50 60.906 41.210 -45.677 1.00 0.44 C ATOM 795 O LYS A 50 59.988 41.184 -44.883 1.00 0.55 O ATOM 796 CB LYS A 50 60.273 42.224 -47.887 1.00 0.57 C ATOM 797 CG LYS A 50 61.519 43.058 -48.187 1.00 1.02 C ATOM 798 CD LYS A 50 61.533 43.450 -49.666 1.00 1.41 C ATOM 799 CE LYS A 50 62.915 43.156 -50.252 1.00 1.74 C ATOM 800 NZ LYS A 50 63.055 44.088 -51.404 1.00 2.40 N ATOM 0 H LYS A 50 58.698 40.214 -46.813 1.00 0.40 H new ATOM 0 HA LYS A 50 61.609 40.516 -47.547 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.751 41.986 -48.814 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.581 42.795 -47.269 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.529 43.952 -47.564 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.416 42.490 -47.943 1.00 1.02 H new ATOM 0 HD2 LYS A 50 60.769 42.894 -50.209 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.296 44.508 -49.776 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.699 43.322 -49.514 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.994 42.117 -50.573 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 63.980 43.944 -51.856 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 62.299 43.903 -52.094 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 62.983 45.069 -51.067 1.00 2.40 H new ATOM 814 N TYR A 51 62.127 41.485 -45.298 1.00 0.44 N ATOM 815 CA TYR A 51 62.419 41.780 -43.862 1.00 0.52 C ATOM 816 C TYR A 51 63.255 43.058 -43.745 1.00 0.45 C ATOM 817 O TYR A 51 64.412 43.086 -44.110 1.00 0.59 O ATOM 818 CB TYR A 51 63.233 40.589 -43.350 1.00 0.73 C ATOM 819 CG TYR A 51 62.441 39.316 -43.498 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.211 38.788 -44.770 1.00 0.69 C ATOM 821 CD2 TYR A 51 61.952 38.659 -42.363 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.486 37.600 -44.913 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.228 37.471 -42.504 1.00 1.19 C ATOM 824 CZ TYR A 51 60.995 36.940 -43.779 1.00 1.05 C ATOM 825 OH TYR A 51 60.281 35.768 -43.920 1.00 1.47 O ATOM 0 H TYR A 51 62.935 41.518 -45.920 1.00 0.44 H new ATOM 0 HA TYR A 51 61.502 41.926 -43.291 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.167 40.512 -43.906 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.497 40.742 -42.304 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.593 39.296 -45.643 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.133 39.069 -41.380 1.00 0.82 H new ATOM 0 HE1 TYR A 51 61.305 37.192 -45.897 1.00 0.76 H new ATOM 0 HE2 TYR A 51 60.848 36.963 -41.630 1.00 1.19 H new ATOM 0 HH TYR A 51 60.014 35.439 -43.036 1.00 1.47 H new ATOM 835 N VAL A 52 62.688 44.110 -43.222 1.00 0.44 N ATOM 836 CA VAL A 52 63.473 45.371 -43.067 1.00 0.49 C ATOM 837 C VAL A 52 64.061 45.417 -41.657 1.00 0.43 C ATOM 838 O VAL A 52 63.376 45.147 -40.691 1.00 0.56 O ATOM 839 CB VAL A 52 62.464 46.502 -43.281 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.010 47.799 -42.679 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.232 46.699 -44.781 1.00 0.82 C ATOM 0 H VAL A 52 61.722 44.153 -42.897 1.00 0.44 H new ATOM 0 HA VAL A 52 64.302 45.449 -43.770 1.00 0.49 H new ATOM 0 HB VAL A 52 61.523 46.244 -42.795 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.290 48.603 -42.833 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.178 47.662 -41.611 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.951 48.057 -43.164 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.514 47.504 -44.935 1.00 0.82 H new ATOM 0 HG22 VAL A 52 63.175 46.956 -45.264 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.842 45.777 -45.213 1.00 0.82 H new ATOM 851 N CYS A 53 65.326 45.728 -41.525 1.00 0.44 N ATOM 852 CA CYS A 53 65.937 45.756 -40.161 1.00 0.47 C ATOM 853 C CYS A 53 66.731 47.044 -39.923 1.00 0.46 C ATOM 854 O CYS A 53 67.410 47.542 -40.798 1.00 0.68 O ATOM 855 CB CYS A 53 66.880 44.552 -40.121 1.00 0.73 C ATOM 856 SG CYS A 53 66.047 43.098 -40.803 1.00 1.39 S ATOM 0 H CYS A 53 65.956 45.961 -42.293 1.00 0.44 H new ATOM 0 HA CYS A 53 65.169 45.719 -39.388 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.783 44.767 -40.693 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.191 44.356 -39.095 1.00 0.73 H new ATOM 861 N CYS A 54 66.663 47.569 -38.727 1.00 0.39 N ATOM 862 CA CYS A 54 67.426 48.814 -38.396 1.00 0.51 C ATOM 863 C CYS A 54 68.263 48.574 -37.135 1.00 0.48 C ATOM 864 O CYS A 54 67.833 47.895 -36.228 1.00 0.46 O ATOM 865 CB CYS A 54 66.369 49.900 -38.148 1.00 0.68 C ATOM 866 SG CYS A 54 64.962 49.214 -37.230 1.00 1.08 S ATOM 0 H CYS A 54 66.109 47.188 -37.960 1.00 0.39 H new ATOM 0 HA CYS A 54 68.108 49.108 -39.194 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.810 50.725 -37.588 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.027 50.308 -39.099 1.00 0.68 H new ATOM 871 N ASN A 55 69.453 49.122 -37.073 1.00 0.52 N ATOM 872 CA ASN A 55 70.322 48.916 -35.873 1.00 0.55 C ATOM 873 C ASN A 55 70.054 50.007 -34.849 1.00 0.54 C ATOM 874 O ASN A 55 70.877 50.865 -34.599 1.00 0.61 O ATOM 875 CB ASN A 55 71.756 49.016 -36.398 1.00 0.67 C ATOM 876 CG ASN A 55 72.700 48.230 -35.485 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.270 47.625 -34.522 1.00 2.23 O ATOM 878 ND2 ASN A 55 73.979 48.210 -35.748 1.00 2.32 N ATOM 0 H ASN A 55 69.860 49.705 -37.804 1.00 0.52 H new ATOM 0 HA ASN A 55 70.135 47.960 -35.383 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.809 48.625 -37.414 1.00 0.67 H new ATOM 0 HB3 ASN A 55 72.065 50.060 -36.442 1.00 0.67 H new ATOM 0 HD21 ASN A 55 74.615 47.687 -35.146 1.00 2.32 H new ATOM 0 HD22 ASN A 55 74.342 48.717 -36.555 1.00 2.32 H new ATOM 885 N THR A 56 68.900 49.972 -34.256 1.00 0.49 N ATOM 886 CA THR A 56 68.552 51.000 -33.237 1.00 0.50 C ATOM 887 C THR A 56 67.595 50.418 -32.197 1.00 0.48 C ATOM 888 O THR A 56 67.329 49.233 -32.173 1.00 0.57 O ATOM 889 CB THR A 56 67.868 52.128 -34.015 1.00 0.54 C ATOM 890 OG1 THR A 56 67.660 51.725 -35.363 1.00 1.15 O ATOM 891 CG2 THR A 56 68.752 53.379 -33.982 1.00 1.16 C ATOM 0 H THR A 56 68.177 49.274 -34.432 1.00 0.49 H new ATOM 0 HA THR A 56 69.433 51.351 -32.699 1.00 0.50 H new ATOM 0 HB THR A 56 66.905 52.351 -33.556 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.096 50.924 -35.382 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.266 54.183 -34.535 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.904 53.690 -32.948 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.716 53.155 -34.439 1.00 1.16 H new ATOM 899 N ASP A 57 67.055 51.250 -31.355 1.00 0.58 N ATOM 900 CA ASP A 57 66.089 50.760 -30.335 1.00 0.60 C ATOM 901 C ASP A 57 64.695 51.264 -30.705 1.00 0.59 C ATOM 902 O ASP A 57 64.470 52.453 -30.809 1.00 0.72 O ATOM 903 CB ASP A 57 66.556 51.373 -29.016 1.00 0.71 C ATOM 904 CG ASP A 57 66.008 50.547 -27.852 1.00 0.95 C ATOM 905 OD1 ASP A 57 65.000 49.885 -28.044 1.00 1.47 O ATOM 906 OD2 ASP A 57 66.603 50.592 -26.789 1.00 1.70 O ATOM 0 H ASP A 57 67.241 52.252 -31.329 1.00 0.58 H new ATOM 0 HA ASP A 57 66.045 49.673 -30.269 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.645 51.397 -28.979 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.211 52.404 -28.939 1.00 0.71 H new ATOM 911 N ARG A 58 63.759 50.383 -30.936 1.00 0.56 N ATOM 912 CA ARG A 58 62.404 50.858 -31.334 1.00 0.61 C ATOM 913 C ARG A 58 62.526 51.582 -32.678 1.00 0.60 C ATOM 914 O ARG A 58 62.202 52.746 -32.802 1.00 0.87 O ATOM 915 CB ARG A 58 61.989 51.831 -30.226 1.00 0.73 C ATOM 916 CG ARG A 58 60.488 51.704 -29.956 1.00 0.93 C ATOM 917 CD ARG A 58 59.714 52.519 -30.996 1.00 1.16 C ATOM 918 NE ARG A 58 58.389 52.799 -30.370 1.00 1.10 N ATOM 919 CZ ARG A 58 58.178 53.930 -29.750 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.709 55.034 -30.201 1.00 1.91 N ATOM 921 NH2 ARG A 58 57.425 53.959 -28.684 1.00 1.52 N ATOM 0 H ARG A 58 63.871 49.371 -30.868 1.00 0.56 H new ATOM 0 HA ARG A 58 61.674 50.056 -31.449 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.550 51.620 -29.316 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.229 52.853 -30.519 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.187 50.657 -30.000 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.256 52.061 -28.952 1.00 0.93 H new ATOM 0 HD2 ARG A 58 60.237 53.444 -31.240 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.600 51.963 -31.926 1.00 1.16 H new ATOM 0 HE ARG A 58 57.644 52.104 -30.426 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.290 55.015 -31.039 1.00 1.91 H new ATOM 0 HH12 ARG A 58 58.543 55.915 -29.715 1.00 1.91 H new ATOM 0 HH21 ARG A 58 57.002 53.099 -28.335 1.00 1.52 H new ATOM 0 HH22 ARG A 58 57.260 54.842 -28.200 1.00 1.52 H new ATOM 935 N CYS A 59 63.034 50.907 -33.681 1.00 0.44 N ATOM 936 CA CYS A 59 63.223 51.568 -35.006 1.00 0.47 C ATOM 937 C CYS A 59 62.468 50.839 -36.129 1.00 0.60 C ATOM 938 O CYS A 59 62.835 50.930 -37.284 1.00 1.14 O ATOM 939 CB CYS A 59 64.736 51.503 -35.248 1.00 0.42 C ATOM 940 SG CYS A 59 65.273 49.774 -35.313 1.00 0.84 S ATOM 0 H CYS A 59 63.324 49.930 -33.638 1.00 0.44 H new ATOM 0 HA CYS A 59 62.832 52.585 -35.005 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.986 52.006 -36.182 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.264 52.028 -34.452 1.00 0.42 H new ATOM 945 N ASN A 60 61.413 50.136 -35.816 1.00 0.52 N ATOM 946 CA ASN A 60 60.651 49.431 -36.894 1.00 0.55 C ATOM 947 C ASN A 60 59.146 49.659 -36.723 1.00 0.71 C ATOM 948 O ASN A 60 58.780 50.677 -36.160 1.00 1.39 O ATOM 949 CB ASN A 60 60.984 47.947 -36.729 1.00 0.41 C ATOM 950 CG ASN A 60 60.266 47.400 -35.496 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.229 48.046 -34.468 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.691 46.229 -35.553 1.00 0.40 N ATOM 953 OXT ASN A 60 58.388 48.811 -37.160 1.00 1.25 O ATOM 0 H ASN A 60 61.046 50.018 -34.871 1.00 0.52 H new ATOM 0 HA ASN A 60 60.920 49.800 -37.884 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.678 47.393 -37.617 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.061 47.814 -36.625 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.210 45.856 -34.734 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.722 45.687 -36.416 1.00 0.40 H new TER 960 ASN A 60