USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -7.12! C(o=-13!,f=-27!) USER MOD Set 1.2: A 60 ASN : amide:sc= -5.9! C(o=-13!,f=-22!) USER MOD Single : A 1 LEU N :NH3+ -165:sc= 0.0712 (180deg=-0.0154) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= 0.125 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -29:sc= 0.223 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -1.76! (180deg=-2.09!) USER MOD Single : A 19 ASN : amide:sc= -3.52 K(o=-3.5,f=-7.5!) 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 -167:sc= -1.46 (180deg=-1.88) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 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=0.000729 USER MOD Single : A 46 SER OG : rot 180:sc= 0.566! USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.681 (180deg=-2.01!) USER MOD Single : A 51 TYR OH : rot 115:sc= 1.05 USER MOD Single : A 55 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.78) USER MOD Single : A 56 THR OG1 : rot 72:sc= 0.656 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.175 45.096 -25.750 1.00 1.26 N ATOM 2 CA LEU A 1 65.905 46.286 -26.609 1.00 0.65 C ATOM 3 C LEU A 1 64.397 46.461 -26.810 1.00 0.58 C ATOM 4 O LEU A 1 63.597 45.793 -26.187 1.00 0.77 O ATOM 5 CB LEU A 1 66.603 45.996 -27.942 1.00 1.19 C ATOM 6 CG LEU A 1 67.671 47.064 -28.189 1.00 1.07 C ATOM 7 CD1 LEU A 1 67.009 48.434 -28.328 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.644 47.082 -27.010 1.00 1.53 C ATOM 0 H1 LEU A 1 67.158 45.128 -25.411 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.528 45.101 -24.936 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.028 44.228 -26.303 1.00 1.26 H new ATOM 0 HA LEU A 1 66.273 47.208 -26.159 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.059 45.006 -27.921 1.00 1.19 H new ATOM 0 HB3 LEU A 1 65.877 45.995 -28.755 1.00 1.19 H new ATOM 0 HG LEU A 1 68.211 46.834 -29.108 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.773 49.191 -28.504 1.00 1.38 H new ATOM 0 HD12 LEU A 1 66.314 48.419 -29.167 1.00 1.38 H new ATOM 0 HD13 LEU A 1 66.467 48.671 -27.412 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.408 47.841 -27.180 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.101 47.313 -26.094 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.118 46.105 -26.915 1.00 1.53 H new ATOM 22 N LYS A 2 64.006 47.360 -27.670 1.00 0.45 N ATOM 23 CA LYS A 2 62.551 47.589 -27.911 1.00 0.53 C ATOM 24 C LYS A 2 62.315 47.893 -29.393 1.00 0.43 C ATOM 25 O LYS A 2 62.921 48.785 -29.950 1.00 0.59 O ATOM 26 CB LYS A 2 62.197 48.799 -27.043 1.00 0.71 C ATOM 27 CG LYS A 2 60.698 49.063 -27.115 1.00 1.14 C ATOM 28 CD LYS A 2 60.465 50.521 -27.508 1.00 1.23 C ATOM 29 CE LYS A 2 60.440 51.383 -26.244 1.00 1.98 C ATOM 30 NZ LYS A 2 61.618 52.286 -26.370 1.00 2.63 N ATOM 0 H LYS A 2 64.633 47.949 -28.219 1.00 0.45 H new ATOM 0 HA LYS A 2 61.939 46.722 -27.663 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.495 48.617 -26.010 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.747 49.676 -27.384 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.234 48.398 -27.844 1.00 1.14 H new ATOM 0 HG3 LYS A 2 60.233 48.854 -26.152 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.254 50.860 -28.179 1.00 1.23 H new ATOM 0 HD3 LYS A 2 59.523 50.619 -28.048 1.00 1.23 H new ATOM 0 HE2 LYS A 2 59.513 51.952 -26.172 1.00 1.98 H new ATOM 0 HE3 LYS A 2 60.508 50.769 -25.346 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 61.987 52.509 -25.424 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 62.358 51.815 -26.928 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 61.332 53.165 -26.846 1.00 2.63 H new ATOM 44 N CYS A 3 61.451 47.161 -30.040 1.00 0.40 N ATOM 45 CA CYS A 3 61.199 47.419 -31.490 1.00 0.40 C ATOM 46 C CYS A 3 59.713 47.712 -31.725 1.00 0.40 C ATOM 47 O CYS A 3 58.851 47.131 -31.099 1.00 0.44 O ATOM 48 CB CYS A 3 61.624 46.131 -32.196 1.00 0.54 C ATOM 49 SG CYS A 3 63.433 46.043 -32.244 1.00 0.68 S ATOM 0 H CYS A 3 60.910 46.399 -29.632 1.00 0.40 H new ATOM 0 HA CYS A 3 61.748 48.284 -31.863 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.220 45.265 -31.672 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.220 46.107 -33.208 1.00 0.54 H new ATOM 54 N ASN A 4 59.403 48.612 -32.619 1.00 0.43 N ATOM 55 CA ASN A 4 57.965 48.938 -32.872 1.00 0.49 C ATOM 56 C ASN A 4 57.149 47.653 -33.019 1.00 0.49 C ATOM 57 O ASN A 4 57.598 46.685 -33.602 1.00 0.55 O ATOM 58 CB ASN A 4 57.938 49.725 -34.183 1.00 0.60 C ATOM 59 CG ASN A 4 59.046 50.780 -34.188 1.00 0.99 C ATOM 60 OD1 ASN A 4 60.211 50.447 -34.255 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.729 52.045 -34.119 1.00 1.09 N ATOM 0 H ASN A 4 60.075 49.133 -33.182 1.00 0.43 H new ATOM 0 HA ASN A 4 57.535 49.508 -32.049 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.068 49.046 -35.026 1.00 0.60 H new ATOM 0 HB3 ASN A 4 56.968 50.205 -34.307 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.461 52.755 -34.121 1.00 1.09 H new ATOM 0 HD22 ASN A 4 57.749 52.323 -34.063 1.00 1.09 H new ATOM 68 N LYS A 5 55.950 47.634 -32.507 1.00 0.52 N ATOM 69 CA LYS A 5 55.116 46.414 -32.632 1.00 0.60 C ATOM 70 C LYS A 5 54.264 46.491 -33.893 1.00 0.71 C ATOM 71 O LYS A 5 54.070 47.545 -34.464 1.00 1.48 O ATOM 72 CB LYS A 5 54.218 46.413 -31.402 1.00 0.68 C ATOM 73 CG LYS A 5 54.723 45.388 -30.397 1.00 1.03 C ATOM 74 CD LYS A 5 53.993 44.068 -30.634 1.00 1.48 C ATOM 75 CE LYS A 5 52.935 43.861 -29.543 1.00 1.84 C ATOM 76 NZ LYS A 5 52.177 42.649 -29.966 1.00 2.49 N ATOM 0 H LYS A 5 55.515 48.411 -32.009 1.00 0.52 H new ATOM 0 HA LYS A 5 55.723 45.511 -32.699 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.205 47.404 -30.949 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.193 46.180 -31.689 1.00 0.68 H new ATOM 0 HG2 LYS A 5 55.799 45.250 -30.507 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.549 45.739 -29.380 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.521 44.074 -31.616 1.00 1.48 H new ATOM 0 HD3 LYS A 5 54.704 43.242 -30.627 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.398 43.716 -28.567 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.279 44.728 -29.460 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.434 42.443 -29.268 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 51.742 42.818 -30.895 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 52.826 41.839 -30.030 1.00 2.49 H new ATOM 90 N LEU A 6 53.744 45.379 -34.325 1.00 0.53 N ATOM 91 CA LEU A 6 52.896 45.382 -35.542 1.00 0.57 C ATOM 92 C LEU A 6 51.880 46.523 -35.476 1.00 0.62 C ATOM 93 O LEU A 6 51.397 46.995 -36.487 1.00 0.72 O ATOM 94 CB LEU A 6 52.198 44.026 -35.535 1.00 0.59 C ATOM 95 CG LEU A 6 52.526 43.293 -36.831 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.896 41.899 -36.804 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.971 44.084 -38.018 1.00 0.78 C ATOM 0 H LEU A 6 53.871 44.467 -33.886 1.00 0.53 H new ATOM 0 HA LEU A 6 53.474 45.534 -36.454 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.525 43.439 -34.677 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.120 44.158 -35.439 1.00 0.59 H new ATOM 0 HG LEU A 6 53.607 43.199 -36.932 1.00 0.70 H new ATOM 0 HD11 LEU A 6 52.131 41.376 -37.731 1.00 1.22 H new ATOM 0 HD12 LEU A 6 52.293 41.337 -35.959 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.815 41.990 -36.703 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.205 43.561 -38.945 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.890 44.179 -37.918 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.422 45.076 -38.037 1.00 0.78 H new ATOM 109 N VAL A 7 51.550 46.974 -34.293 1.00 0.61 N ATOM 110 CA VAL A 7 50.566 48.088 -34.176 1.00 0.71 C ATOM 111 C VAL A 7 51.276 49.399 -33.807 1.00 0.70 C ATOM 112 O VAL A 7 52.159 49.402 -32.971 1.00 0.62 O ATOM 113 CB VAL A 7 49.620 47.680 -33.052 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.361 48.546 -33.117 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.236 46.206 -33.211 1.00 0.79 C ATOM 0 H VAL A 7 51.917 46.621 -33.409 1.00 0.61 H new ATOM 0 HA VAL A 7 50.041 48.257 -35.116 1.00 0.71 H new ATOM 0 HB VAL A 7 50.114 47.820 -32.090 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.680 48.259 -32.316 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.635 49.595 -33.003 1.00 0.93 H new ATOM 0 HG13 VAL A 7 47.870 48.402 -34.079 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.560 45.917 -32.406 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.741 46.061 -34.171 1.00 0.79 H new ATOM 0 HG23 VAL A 7 50.134 45.590 -33.169 1.00 0.79 H new ATOM 125 N PRO A 8 50.866 50.476 -34.435 1.00 0.84 N ATOM 126 CA PRO A 8 51.469 51.803 -34.156 1.00 0.91 C ATOM 127 C PRO A 8 51.093 52.290 -32.754 1.00 0.92 C ATOM 128 O PRO A 8 50.599 53.387 -32.586 1.00 1.21 O ATOM 129 CB PRO A 8 50.823 52.695 -35.219 1.00 1.09 C ATOM 130 CG PRO A 8 49.862 51.838 -36.066 1.00 1.12 C ATOM 131 CD PRO A 8 49.794 50.432 -35.456 1.00 0.97 C ATOM 0 HA PRO A 8 52.558 51.796 -34.190 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.282 53.514 -34.746 1.00 1.09 H new ATOM 0 HB3 PRO A 8 51.589 53.142 -35.853 1.00 1.09 H new ATOM 0 HG2 PRO A 8 48.870 52.290 -36.087 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.210 51.786 -37.098 1.00 1.12 H new ATOM 0 HD2 PRO A 8 48.819 50.228 -35.013 1.00 0.97 H new ATOM 0 HD3 PRO A 8 49.974 49.657 -36.201 1.00 0.97 H new ATOM 139 N LEU A 9 51.321 51.500 -31.744 1.00 0.78 N ATOM 140 CA LEU A 9 50.974 51.947 -30.372 1.00 0.82 C ATOM 141 C LEU A 9 51.982 51.398 -29.367 1.00 0.72 C ATOM 142 O LEU A 9 52.450 52.101 -28.495 1.00 0.84 O ATOM 143 CB LEU A 9 49.578 51.383 -30.095 1.00 0.87 C ATOM 144 CG LEU A 9 48.649 52.523 -29.668 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.267 52.326 -30.294 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.518 52.531 -28.143 1.00 1.60 C ATOM 0 H LEU A 9 51.731 50.568 -31.810 1.00 0.78 H new ATOM 0 HA LEU A 9 50.992 53.033 -30.283 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.187 50.894 -30.987 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.627 50.626 -29.312 1.00 0.87 H new ATOM 0 HG LEU A 9 49.067 53.472 -30.005 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.609 53.139 -29.987 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.357 52.322 -31.380 1.00 1.82 H new ATOM 0 HD13 LEU A 9 46.849 51.376 -29.961 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.857 53.342 -27.839 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.103 51.580 -27.808 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.501 52.676 -27.694 1.00 1.60 H new ATOM 158 N PHE A 10 52.319 50.146 -29.481 1.00 0.57 N ATOM 159 CA PHE A 10 53.296 49.551 -28.527 1.00 0.55 C ATOM 160 C PHE A 10 54.500 48.993 -29.282 1.00 0.49 C ATOM 161 O PHE A 10 54.685 49.251 -30.455 1.00 0.52 O ATOM 162 CB PHE A 10 52.554 48.416 -27.795 1.00 0.62 C ATOM 163 CG PHE A 10 51.300 48.003 -28.538 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.081 48.629 -28.252 1.00 0.75 C ATOM 165 CD2 PHE A 10 51.353 46.983 -29.495 1.00 0.77 C ATOM 166 CE1 PHE A 10 48.916 48.235 -28.920 1.00 0.89 C ATOM 167 CE2 PHE A 10 50.189 46.592 -30.164 1.00 0.92 C ATOM 168 CZ PHE A 10 48.969 47.216 -29.875 1.00 0.94 C ATOM 0 H PHE A 10 51.961 49.508 -30.192 1.00 0.57 H new ATOM 0 HA PHE A 10 53.667 50.298 -27.825 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.216 47.556 -27.690 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.291 48.741 -26.788 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.039 49.417 -27.515 1.00 0.75 H new ATOM 0 HD2 PHE A 10 52.292 46.498 -29.717 1.00 0.77 H new ATOM 0 HE1 PHE A 10 47.976 48.718 -28.698 1.00 0.89 H new ATOM 0 HE2 PHE A 10 50.231 45.807 -30.905 1.00 0.92 H new ATOM 0 HZ PHE A 10 48.070 46.910 -30.390 1.00 0.94 H new ATOM 178 N TYR A 11 55.324 48.238 -28.613 1.00 0.47 N ATOM 179 CA TYR A 11 56.512 47.650 -29.282 1.00 0.44 C ATOM 180 C TYR A 11 56.863 46.321 -28.613 1.00 0.49 C ATOM 181 O TYR A 11 56.310 45.970 -27.590 1.00 0.62 O ATOM 182 CB TYR A 11 57.625 48.672 -29.088 1.00 0.42 C ATOM 183 CG TYR A 11 57.685 49.077 -27.637 1.00 0.44 C ATOM 184 CD1 TYR A 11 58.080 48.144 -26.674 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.348 50.381 -27.255 1.00 0.70 C ATOM 186 CE1 TYR A 11 58.141 48.512 -25.325 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.411 50.752 -25.907 1.00 0.76 C ATOM 188 CZ TYR A 11 57.808 49.817 -24.942 1.00 0.67 C ATOM 189 OH TYR A 11 57.873 50.183 -23.613 1.00 0.83 O ATOM 0 H TYR A 11 55.223 48.003 -27.626 1.00 0.47 H new ATOM 0 HA TYR A 11 56.345 47.444 -30.339 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.580 48.249 -29.399 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.445 49.546 -29.714 1.00 0.42 H new ATOM 0 HD1 TYR A 11 58.338 47.138 -26.971 1.00 0.69 H new ATOM 0 HD2 TYR A 11 57.040 51.100 -28.000 1.00 0.70 H new ATOM 0 HE1 TYR A 11 58.444 47.791 -24.581 1.00 0.80 H new ATOM 0 HE2 TYR A 11 57.154 51.758 -25.611 1.00 0.76 H new ATOM 0 HH TYR A 11 57.611 51.123 -23.519 1.00 0.83 H new ATOM 199 N LYS A 12 57.789 45.591 -29.158 1.00 0.50 N ATOM 200 CA LYS A 12 58.180 44.305 -28.520 1.00 0.59 C ATOM 201 C LYS A 12 59.623 44.414 -28.018 1.00 0.49 C ATOM 202 O LYS A 12 60.376 45.257 -28.462 1.00 0.49 O ATOM 203 CB LYS A 12 58.046 43.250 -29.620 1.00 0.74 C ATOM 204 CG LYS A 12 57.011 42.207 -29.193 1.00 1.20 C ATOM 205 CD LYS A 12 57.480 40.823 -29.631 1.00 1.50 C ATOM 206 CE LYS A 12 58.065 40.085 -28.427 1.00 1.68 C ATOM 207 NZ LYS A 12 58.325 38.705 -28.916 1.00 2.19 N ATOM 0 H LYS A 12 58.292 45.826 -30.014 1.00 0.50 H new ATOM 0 HA LYS A 12 57.560 44.047 -27.661 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.742 43.719 -30.556 1.00 0.74 H new ATOM 0 HB3 LYS A 12 59.009 42.772 -29.801 1.00 0.74 H new ATOM 0 HG2 LYS A 12 56.877 42.233 -28.112 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.043 42.434 -29.640 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.646 40.259 -30.048 1.00 1.50 H new ATOM 0 HD3 LYS A 12 58.230 40.912 -30.417 1.00 1.50 H new ATOM 0 HE2 LYS A 12 58.982 40.561 -28.079 1.00 1.68 H new ATOM 0 HE3 LYS A 12 57.369 40.083 -27.588 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 58.728 38.134 -28.146 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 57.433 38.276 -29.235 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 58.996 38.739 -29.710 1.00 2.19 H new ATOM 221 N THR A 13 60.014 43.583 -27.091 1.00 0.64 N ATOM 222 CA THR A 13 61.408 43.660 -26.566 1.00 0.62 C ATOM 223 C THR A 13 62.313 42.762 -27.406 1.00 0.66 C ATOM 224 O THR A 13 61.848 41.909 -28.135 1.00 0.75 O ATOM 225 CB THR A 13 61.304 43.192 -25.097 1.00 0.70 C ATOM 226 OG1 THR A 13 61.838 44.196 -24.243 1.00 1.06 O ATOM 227 CG2 THR A 13 62.074 41.881 -24.875 1.00 1.08 C ATOM 0 H THR A 13 59.431 42.856 -26.675 1.00 0.64 H new ATOM 0 HA THR A 13 61.841 44.659 -26.617 1.00 0.62 H new ATOM 0 HB THR A 13 60.253 43.019 -24.868 1.00 0.70 H new ATOM 0 HG1 THR A 13 62.526 44.702 -24.724 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.982 41.577 -23.832 1.00 1.08 H new ATOM 0 HG22 THR A 13 61.661 41.103 -25.517 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.126 42.031 -25.118 1.00 1.08 H new ATOM 235 N CYS A 14 63.598 42.947 -27.315 1.00 0.65 N ATOM 236 CA CYS A 14 64.522 42.103 -28.122 1.00 0.76 C ATOM 237 C CYS A 14 65.505 41.365 -27.205 1.00 0.87 C ATOM 238 O CYS A 14 66.130 41.972 -26.359 1.00 0.99 O ATOM 239 CB CYS A 14 65.271 43.078 -29.034 1.00 0.75 C ATOM 240 SG CYS A 14 64.164 44.397 -29.625 1.00 1.34 S ATOM 0 H CYS A 14 64.048 43.642 -26.720 1.00 0.65 H new ATOM 0 HA CYS A 14 63.987 41.344 -28.693 1.00 0.76 H new ATOM 0 HB2 CYS A 14 66.109 43.517 -28.493 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.688 42.539 -29.885 1.00 0.75 H new ATOM 245 N PRO A 15 65.613 40.072 -27.401 1.00 1.06 N ATOM 246 CA PRO A 15 66.525 39.250 -26.574 1.00 1.31 C ATOM 247 C PRO A 15 67.971 39.763 -26.667 1.00 1.16 C ATOM 248 O PRO A 15 68.268 40.689 -27.397 1.00 1.40 O ATOM 249 CB PRO A 15 66.386 37.864 -27.206 1.00 1.54 C ATOM 250 CG PRO A 15 65.406 37.947 -28.388 1.00 1.54 C ATOM 251 CD PRO A 15 64.834 39.365 -28.446 1.00 1.24 C ATOM 0 HA PRO A 15 66.284 39.268 -25.511 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.358 37.507 -27.547 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.025 37.148 -26.467 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.916 37.706 -29.321 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.603 37.220 -28.266 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.970 39.817 -29.428 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.765 39.380 -28.234 1.00 1.24 H new ATOM 259 N ALA A 16 68.868 39.171 -25.921 1.00 1.32 N ATOM 260 CA ALA A 16 70.296 39.625 -25.946 1.00 1.21 C ATOM 261 C ALA A 16 70.850 39.649 -27.374 1.00 0.92 C ATOM 262 O ALA A 16 70.589 38.771 -28.174 1.00 1.02 O ATOM 263 CB ALA A 16 71.056 38.597 -25.107 1.00 1.58 C ATOM 0 H ALA A 16 68.675 38.391 -25.293 1.00 1.32 H new ATOM 0 HA ALA A 16 70.396 40.639 -25.558 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.113 38.861 -25.077 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.656 38.587 -24.093 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.942 37.608 -25.552 1.00 1.58 H new ATOM 269 N GLY A 17 71.626 40.655 -27.689 1.00 0.84 N ATOM 270 CA GLY A 17 72.226 40.760 -29.053 1.00 0.75 C ATOM 271 C GLY A 17 71.167 41.157 -30.086 1.00 0.63 C ATOM 272 O GLY A 17 71.476 41.417 -31.231 1.00 0.83 O ATOM 0 H GLY A 17 71.871 41.414 -27.054 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.028 41.498 -29.046 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.673 39.806 -29.333 1.00 0.75 H new ATOM 276 N LYS A 18 69.924 41.205 -29.705 1.00 0.60 N ATOM 277 CA LYS A 18 68.864 41.574 -30.684 1.00 0.58 C ATOM 278 C LYS A 18 68.571 43.079 -30.615 1.00 0.59 C ATOM 279 O LYS A 18 67.520 43.492 -30.172 1.00 0.88 O ATOM 280 CB LYS A 18 67.647 40.748 -30.247 1.00 0.71 C ATOM 281 CG LYS A 18 66.720 40.489 -31.436 1.00 1.60 C ATOM 282 CD LYS A 18 66.912 39.049 -31.925 1.00 2.39 C ATOM 283 CE LYS A 18 65.666 38.222 -31.604 1.00 2.98 C ATOM 284 NZ LYS A 18 66.175 36.849 -31.332 1.00 3.59 N ATOM 0 H LYS A 18 69.595 41.005 -28.760 1.00 0.60 H new ATOM 0 HA LYS A 18 69.149 41.371 -31.716 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.977 39.800 -29.822 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.104 41.276 -29.463 1.00 0.71 H new ATOM 0 HG2 LYS A 18 65.682 40.651 -31.145 1.00 1.60 H new ATOM 0 HG3 LYS A 18 66.938 41.191 -32.241 1.00 1.60 H new ATOM 0 HD2 LYS A 18 67.098 39.042 -32.999 1.00 2.39 H new ATOM 0 HD3 LYS A 18 67.786 38.607 -31.447 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.136 38.625 -30.741 1.00 2.98 H new ATOM 0 HE3 LYS A 18 64.964 38.225 -32.438 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.400 36.256 -30.973 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 66.548 36.437 -32.211 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.933 36.894 -30.622 1.00 3.59 H new ATOM 298 N ASN A 19 69.478 43.908 -31.077 1.00 0.40 N ATOM 299 CA ASN A 19 69.223 45.365 -31.056 1.00 0.50 C ATOM 300 C ASN A 19 68.659 45.758 -32.413 1.00 0.47 C ATOM 301 O ASN A 19 68.739 46.894 -32.834 1.00 0.60 O ATOM 302 CB ASN A 19 70.591 46.018 -30.830 1.00 0.65 C ATOM 303 CG ASN A 19 70.403 47.487 -30.439 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.173 47.796 -29.287 1.00 1.93 O ATOM 305 ND2 ASN A 19 70.497 48.411 -31.358 1.00 1.75 N ATOM 0 H ASN A 19 70.379 43.629 -31.465 1.00 0.40 H new ATOM 0 HA ASN A 19 68.517 45.671 -30.284 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.132 45.489 -30.045 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.193 45.947 -31.736 1.00 0.65 H new ATOM 0 HD21 ASN A 19 70.377 49.393 -31.108 1.00 1.75 H new ATOM 0 HD22 ASN A 19 70.690 48.151 -32.325 1.00 1.75 H new ATOM 312 N LEU A 20 68.110 44.804 -33.110 1.00 0.40 N ATOM 313 CA LEU A 20 67.561 45.091 -34.452 1.00 0.48 C ATOM 314 C LEU A 20 66.049 44.907 -34.475 1.00 0.38 C ATOM 315 O LEU A 20 65.493 44.109 -33.750 1.00 0.56 O ATOM 316 CB LEU A 20 68.210 44.051 -35.363 1.00 0.64 C ATOM 317 CG LEU A 20 68.840 44.737 -36.567 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.356 44.601 -36.501 1.00 1.13 C ATOM 319 CD2 LEU A 20 68.325 44.076 -37.841 1.00 1.34 C ATOM 0 H LEU A 20 68.020 43.836 -32.802 1.00 0.40 H new ATOM 0 HA LEU A 20 67.763 46.118 -34.757 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.969 43.495 -34.812 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.464 43.329 -35.694 1.00 0.64 H new ATOM 0 HG LEU A 20 68.576 45.794 -36.566 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.803 45.093 -37.364 1.00 1.13 H new ATOM 0 HD12 LEU A 20 70.724 45.067 -35.587 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.627 43.545 -36.504 1.00 1.13 H new ATOM 0 HD21 LEU A 20 68.771 44.561 -38.709 1.00 1.34 H new ATOM 0 HD22 LEU A 20 68.594 43.020 -37.837 1.00 1.34 H new ATOM 0 HD23 LEU A 20 67.240 44.174 -37.889 1.00 1.34 H new ATOM 331 N CYS A 21 65.391 45.611 -35.342 1.00 0.29 N ATOM 332 CA CYS A 21 63.917 45.448 -35.465 1.00 0.31 C ATOM 333 C CYS A 21 63.613 45.011 -36.895 1.00 0.32 C ATOM 334 O CYS A 21 64.067 45.620 -37.849 1.00 0.49 O ATOM 335 CB CYS A 21 63.302 46.815 -35.156 1.00 0.44 C ATOM 336 SG CYS A 21 63.970 47.441 -33.598 1.00 0.57 S ATOM 0 H CYS A 21 65.807 46.295 -35.974 1.00 0.29 H new ATOM 0 HA CYS A 21 63.511 44.700 -34.784 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.519 47.514 -35.964 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.217 46.731 -35.091 1.00 0.44 H new ATOM 341 N TYR A 22 62.889 43.942 -37.054 1.00 0.30 N ATOM 342 CA TYR A 22 62.595 43.446 -38.425 1.00 0.31 C ATOM 343 C TYR A 22 61.099 43.558 -38.744 1.00 0.31 C ATOM 344 O TYR A 22 60.266 43.017 -38.044 1.00 0.41 O ATOM 345 CB TYR A 22 63.039 41.986 -38.401 1.00 0.36 C ATOM 346 CG TYR A 22 61.994 41.130 -37.723 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.944 41.036 -36.323 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.077 40.428 -38.505 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.973 40.234 -35.714 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.106 39.627 -37.897 1.00 0.63 C ATOM 351 CZ TYR A 22 60.053 39.531 -36.502 1.00 0.55 C ATOM 352 OH TYR A 22 59.095 38.740 -35.904 1.00 0.66 O ATOM 0 H TYR A 22 62.488 43.390 -36.296 1.00 0.30 H new ATOM 0 HA TYR A 22 63.108 44.025 -39.193 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.204 41.632 -39.419 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.989 41.897 -37.875 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.653 41.581 -35.718 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.117 40.503 -39.582 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.933 40.157 -34.637 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.397 39.083 -38.503 1.00 0.63 H new ATOM 0 HH TYR A 22 58.537 38.324 -36.594 1.00 0.66 H new ATOM 362 N LYS A 23 60.754 44.230 -39.809 1.00 0.39 N ATOM 363 CA LYS A 23 59.307 44.340 -40.179 1.00 0.44 C ATOM 364 C LYS A 23 59.094 43.694 -41.552 1.00 0.45 C ATOM 365 O LYS A 23 59.501 44.224 -42.566 1.00 0.54 O ATOM 366 CB LYS A 23 58.972 45.843 -40.191 1.00 0.56 C ATOM 367 CG LYS A 23 59.935 46.622 -41.098 1.00 1.11 C ATOM 368 CD LYS A 23 59.825 48.123 -40.779 1.00 1.49 C ATOM 369 CE LYS A 23 60.472 48.951 -41.897 1.00 1.72 C ATOM 370 NZ LYS A 23 59.377 49.792 -42.458 1.00 2.18 N ATOM 0 H LYS A 23 61.403 44.705 -40.436 1.00 0.39 H new ATOM 0 HA LYS A 23 58.654 43.825 -39.475 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.948 45.987 -40.536 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.025 46.238 -39.176 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.958 46.279 -40.943 1.00 1.11 H new ATOM 0 HG3 LYS A 23 59.694 46.442 -42.146 1.00 1.11 H new ATOM 0 HD2 LYS A 23 58.777 48.403 -40.669 1.00 1.49 H new ATOM 0 HD3 LYS A 23 60.314 48.337 -39.829 1.00 1.49 H new ATOM 0 HE2 LYS A 23 61.281 49.569 -41.509 1.00 1.72 H new ATOM 0 HE3 LYS A 23 60.903 48.306 -42.663 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.752 50.383 -43.227 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 58.623 49.179 -42.829 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 58.990 50.402 -41.710 1.00 2.18 H new ATOM 384 N MET A 24 58.492 42.529 -41.579 1.00 0.47 N ATOM 385 CA MET A 24 58.290 41.797 -42.874 1.00 0.53 C ATOM 386 C MET A 24 56.908 42.070 -43.498 1.00 0.53 C ATOM 387 O MET A 24 55.923 42.252 -42.810 1.00 0.59 O ATOM 388 CB MET A 24 58.440 40.315 -42.484 1.00 0.63 C ATOM 389 CG MET A 24 57.913 39.397 -43.596 1.00 0.99 C ATOM 390 SD MET A 24 57.544 37.768 -42.901 1.00 1.69 S ATOM 391 CE MET A 24 59.186 37.432 -42.214 1.00 2.37 C ATOM 0 H MET A 24 58.129 42.049 -40.755 1.00 0.47 H new ATOM 0 HA MET A 24 59.002 42.116 -43.635 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.489 40.091 -42.289 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.896 40.122 -41.560 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.016 39.826 -44.043 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.654 39.307 -44.391 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.256 36.380 -41.936 1.00 2.37 H new ATOM 0 HE2 MET A 24 59.947 37.662 -42.960 1.00 2.37 H new ATOM 0 HE3 MET A 24 59.345 38.052 -41.331 1.00 2.37 H new ATOM 401 N PHE A 25 56.847 42.078 -44.812 1.00 0.53 N ATOM 402 CA PHE A 25 55.552 42.313 -45.538 1.00 0.58 C ATOM 403 C PHE A 25 55.476 41.373 -46.746 1.00 0.50 C ATOM 404 O PHE A 25 56.191 40.393 -46.829 1.00 0.49 O ATOM 405 CB PHE A 25 55.559 43.776 -46.039 1.00 0.70 C ATOM 406 CG PHE A 25 56.936 44.382 -45.906 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.982 43.876 -46.678 1.00 0.84 C ATOM 408 CD2 PHE A 25 57.174 45.429 -45.005 1.00 0.78 C ATOM 409 CE1 PHE A 25 59.267 44.405 -46.553 1.00 0.86 C ATOM 410 CE2 PHE A 25 58.464 45.964 -44.883 1.00 0.83 C ATOM 411 CZ PHE A 25 59.510 45.446 -45.659 1.00 0.70 C ATOM 0 H PHE A 25 57.652 41.929 -45.421 1.00 0.53 H new ATOM 0 HA PHE A 25 54.701 42.129 -44.882 1.00 0.58 H new ATOM 0 HB2 PHE A 25 55.241 43.810 -47.081 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.841 44.364 -45.467 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.796 43.072 -47.375 1.00 0.84 H new ATOM 0 HD2 PHE A 25 56.366 45.822 -44.406 1.00 0.78 H new ATOM 0 HE1 PHE A 25 60.074 44.007 -47.150 1.00 0.86 H new ATOM 0 HE2 PHE A 25 58.651 46.773 -44.193 1.00 0.83 H new ATOM 0 HZ PHE A 25 60.505 45.854 -45.564 1.00 0.70 H new ATOM 421 N MET A 26 54.627 41.675 -47.692 1.00 0.56 N ATOM 422 CA MET A 26 54.518 40.810 -48.904 1.00 0.61 C ATOM 423 C MET A 26 55.107 41.531 -50.116 1.00 0.69 C ATOM 424 O MET A 26 54.625 41.401 -51.223 1.00 1.30 O ATOM 425 CB MET A 26 53.021 40.594 -49.109 1.00 0.72 C ATOM 426 CG MET A 26 52.543 39.426 -48.242 1.00 0.91 C ATOM 427 SD MET A 26 53.177 37.873 -48.921 1.00 1.46 S ATOM 428 CE MET A 26 53.347 36.982 -47.355 1.00 1.96 C ATOM 0 H MET A 26 54.004 42.483 -47.678 1.00 0.56 H new ATOM 0 HA MET A 26 55.058 39.870 -48.785 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.474 41.500 -48.848 1.00 0.72 H new ATOM 0 HB3 MET A 26 52.814 40.388 -50.159 1.00 0.72 H new ATOM 0 HG2 MET A 26 52.889 39.555 -47.216 1.00 0.91 H new ATOM 0 HG3 MET A 26 51.454 39.404 -48.211 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.732 35.980 -47.546 1.00 1.96 H new ATOM 0 HE2 MET A 26 54.038 37.518 -46.705 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.374 36.910 -46.870 1.00 1.96 H new ATOM 438 N VAL A 27 56.131 42.305 -49.908 1.00 0.76 N ATOM 439 CA VAL A 27 56.764 43.070 -51.034 1.00 0.80 C ATOM 440 C VAL A 27 55.792 44.103 -51.625 1.00 0.91 C ATOM 441 O VAL A 27 56.167 45.229 -51.871 1.00 1.08 O ATOM 442 CB VAL A 27 57.148 42.037 -52.091 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.927 42.727 -53.213 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.028 40.967 -51.452 1.00 1.06 C ATOM 0 H VAL A 27 56.568 42.447 -48.997 1.00 0.76 H new ATOM 0 HA VAL A 27 57.632 43.626 -50.680 1.00 0.80 H new ATOM 0 HB VAL A 27 56.248 41.577 -52.499 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.203 41.992 -53.970 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.305 43.499 -53.666 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.829 43.182 -52.803 1.00 1.11 H new ATOM 0 HG21 VAL A 27 58.305 40.227 -52.203 1.00 1.06 H new ATOM 0 HG22 VAL A 27 58.929 41.430 -51.049 1.00 1.06 H new ATOM 0 HG23 VAL A 27 57.480 40.479 -50.646 1.00 1.06 H new ATOM 454 N ALA A 28 54.557 43.739 -51.868 1.00 0.94 N ATOM 455 CA ALA A 28 53.588 44.715 -52.441 1.00 1.10 C ATOM 456 C ALA A 28 53.292 45.822 -51.425 1.00 1.12 C ATOM 457 O ALA A 28 52.808 46.882 -51.768 1.00 1.33 O ATOM 458 CB ALA A 28 52.330 43.897 -52.721 1.00 1.15 C ATOM 0 H ALA A 28 54.181 42.807 -51.693 1.00 0.94 H new ATOM 0 HA ALA A 28 53.969 45.201 -53.339 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.563 44.544 -53.147 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.564 43.099 -53.426 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.964 43.463 -51.791 1.00 1.15 H new ATOM 464 N THR A 29 53.581 45.580 -50.176 1.00 1.00 N ATOM 465 CA THR A 29 53.323 46.615 -49.136 1.00 1.09 C ATOM 466 C THR A 29 54.523 46.705 -48.189 1.00 0.90 C ATOM 467 O THR A 29 54.411 46.387 -47.022 1.00 0.93 O ATOM 468 CB THR A 29 52.091 46.116 -48.384 1.00 1.33 C ATOM 469 OG1 THR A 29 51.946 44.720 -48.607 1.00 1.93 O ATOM 470 CG2 THR A 29 50.845 46.849 -48.886 1.00 1.85 C ATOM 0 H THR A 29 53.985 44.709 -49.831 1.00 1.00 H new ATOM 0 HA THR A 29 53.168 47.607 -49.561 1.00 1.09 H new ATOM 0 HB THR A 29 52.210 46.309 -47.318 1.00 1.33 H new ATOM 0 HG1 THR A 29 51.158 44.392 -48.126 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.969 46.489 -48.346 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.960 47.920 -48.718 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.717 46.661 -49.952 1.00 1.85 H new ATOM 478 N PRO A 30 55.643 47.121 -48.724 1.00 0.99 N ATOM 479 CA PRO A 30 56.875 47.232 -47.914 1.00 1.03 C ATOM 480 C PRO A 30 56.711 48.348 -46.882 1.00 0.85 C ATOM 481 O PRO A 30 57.432 48.420 -45.906 1.00 0.90 O ATOM 482 CB PRO A 30 57.935 47.589 -48.961 1.00 1.44 C ATOM 483 CG PRO A 30 57.251 47.681 -50.340 1.00 1.67 C ATOM 484 CD PRO A 30 55.739 47.503 -50.150 1.00 1.36 C ATOM 0 HA PRO A 30 57.127 46.333 -47.351 1.00 1.03 H new ATOM 0 HB2 PRO A 30 58.410 48.537 -48.710 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.720 46.833 -48.978 1.00 1.44 H new ATOM 0 HG2 PRO A 30 57.463 48.644 -50.804 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.641 46.913 -51.008 1.00 1.67 H new ATOM 0 HD2 PRO A 30 55.192 48.421 -50.363 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.335 46.732 -50.806 1.00 1.36 H new ATOM 492 N LYS A 31 55.755 49.217 -47.088 1.00 0.96 N ATOM 493 CA LYS A 31 55.533 50.325 -46.116 1.00 1.02 C ATOM 494 C LYS A 31 54.646 49.837 -44.966 1.00 0.94 C ATOM 495 O LYS A 31 54.674 50.371 -43.875 1.00 1.09 O ATOM 496 CB LYS A 31 54.827 51.424 -46.912 1.00 1.39 C ATOM 497 CG LYS A 31 55.872 52.281 -47.632 1.00 1.90 C ATOM 498 CD LYS A 31 55.198 53.513 -48.238 1.00 2.38 C ATOM 499 CE LYS A 31 55.535 54.743 -47.395 1.00 2.81 C ATOM 500 NZ LYS A 31 56.480 55.532 -48.229 1.00 3.08 N ATOM 0 H LYS A 31 55.120 49.206 -47.886 1.00 0.96 H new ATOM 0 HA LYS A 31 56.463 50.683 -45.676 1.00 1.02 H new ATOM 0 HB2 LYS A 31 54.142 50.982 -47.635 1.00 1.39 H new ATOM 0 HB3 LYS A 31 54.229 52.044 -46.245 1.00 1.39 H new ATOM 0 HG2 LYS A 31 56.650 52.587 -46.933 1.00 1.90 H new ATOM 0 HG3 LYS A 31 56.358 51.698 -48.415 1.00 1.90 H new ATOM 0 HD2 LYS A 31 55.536 53.658 -49.264 1.00 2.38 H new ATOM 0 HD3 LYS A 31 54.118 53.369 -48.275 1.00 2.38 H new ATOM 0 HE2 LYS A 31 54.640 55.319 -47.161 1.00 2.81 H new ATOM 0 HE3 LYS A 31 55.989 54.459 -46.446 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 56.758 56.394 -47.718 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 57.325 54.961 -48.430 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 56.018 55.794 -49.123 1.00 3.08 H new ATOM 514 N VAL A 32 53.869 48.814 -45.205 1.00 0.83 N ATOM 515 CA VAL A 32 52.987 48.269 -44.132 1.00 0.87 C ATOM 516 C VAL A 32 53.329 46.783 -43.926 1.00 0.69 C ATOM 517 O VAL A 32 52.726 45.910 -44.520 1.00 0.70 O ATOM 518 CB VAL A 32 51.548 48.483 -44.651 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.658 47.277 -44.331 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.949 49.720 -43.978 1.00 1.72 C ATOM 0 H VAL A 32 53.807 48.331 -46.101 1.00 0.83 H new ATOM 0 HA VAL A 32 53.111 48.754 -43.164 1.00 0.87 H new ATOM 0 HB VAL A 32 51.592 48.612 -45.732 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.651 47.457 -44.709 1.00 1.65 H new ATOM 0 HG12 VAL A 32 51.069 46.386 -44.805 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.620 47.129 -43.252 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.933 49.876 -44.341 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.930 49.573 -42.898 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.557 50.593 -44.215 1.00 1.72 H new ATOM 530 N PRO A 33 54.315 46.544 -43.104 1.00 0.67 N ATOM 531 CA PRO A 33 54.766 45.158 -42.832 1.00 0.65 C ATOM 532 C PRO A 33 53.686 44.348 -42.108 1.00 0.67 C ATOM 533 O PRO A 33 52.873 44.883 -41.382 1.00 0.79 O ATOM 534 CB PRO A 33 55.986 45.374 -41.936 1.00 0.82 C ATOM 535 CG PRO A 33 56.192 46.887 -41.736 1.00 0.91 C ATOM 536 CD PRO A 33 55.037 47.635 -42.409 1.00 0.84 C ATOM 0 HA PRO A 33 54.985 44.592 -43.737 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.840 44.882 -40.974 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.871 44.929 -42.390 1.00 0.82 H new ATOM 0 HG2 PRO A 33 56.228 47.126 -40.673 1.00 0.91 H new ATOM 0 HG3 PRO A 33 57.144 47.198 -42.165 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.403 48.143 -41.682 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.395 48.394 -43.105 1.00 0.84 H new ATOM 544 N VAL A 34 53.677 43.055 -42.303 1.00 0.64 N ATOM 545 CA VAL A 34 52.666 42.205 -41.627 1.00 0.72 C ATOM 546 C VAL A 34 53.217 41.717 -40.283 1.00 0.63 C ATOM 547 O VAL A 34 52.477 41.351 -39.392 1.00 0.79 O ATOM 548 CB VAL A 34 52.420 41.033 -42.575 1.00 0.84 C ATOM 549 CG1 VAL A 34 52.231 41.547 -44.007 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.617 40.091 -42.523 1.00 1.19 C ATOM 0 H VAL A 34 54.331 42.554 -42.905 1.00 0.64 H new ATOM 0 HA VAL A 34 51.742 42.744 -41.418 1.00 0.72 H new ATOM 0 HB VAL A 34 51.518 40.502 -42.269 1.00 0.84 H new ATOM 0 HG11 VAL A 34 52.056 40.704 -44.676 1.00 1.32 H new ATOM 0 HG12 VAL A 34 51.375 42.221 -44.042 1.00 1.32 H new ATOM 0 HG13 VAL A 34 53.127 42.081 -44.323 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.449 39.251 -43.197 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.516 40.627 -42.828 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.744 39.720 -41.506 1.00 1.19 H new ATOM 560 N LYS A 35 54.518 41.722 -40.128 1.00 0.46 N ATOM 561 CA LYS A 35 55.121 41.275 -38.836 1.00 0.45 C ATOM 562 C LYS A 35 56.039 42.364 -38.279 1.00 0.39 C ATOM 563 O LYS A 35 56.749 43.032 -39.010 1.00 0.51 O ATOM 564 CB LYS A 35 55.938 40.025 -39.156 1.00 0.59 C ATOM 565 CG LYS A 35 55.033 38.794 -39.105 1.00 0.90 C ATOM 566 CD LYS A 35 55.727 37.683 -38.309 1.00 1.38 C ATOM 567 CE LYS A 35 54.753 37.091 -37.285 1.00 1.90 C ATOM 568 NZ LYS A 35 55.260 35.714 -37.023 1.00 2.50 N ATOM 0 H LYS A 35 55.187 42.016 -40.840 1.00 0.46 H new ATOM 0 HA LYS A 35 54.352 41.073 -38.090 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.389 40.116 -40.144 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.754 39.919 -38.441 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.080 39.049 -38.640 1.00 0.90 H new ATOM 0 HG3 LYS A 35 54.813 38.449 -40.115 1.00 0.90 H new ATOM 0 HD2 LYS A 35 56.077 36.903 -38.985 1.00 1.38 H new ATOM 0 HD3 LYS A 35 56.605 38.081 -37.801 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.732 37.685 -36.371 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.735 37.070 -37.675 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 54.644 35.243 -36.330 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 55.262 35.170 -37.910 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 56.228 35.766 -36.646 1.00 2.50 H new ATOM 582 N ARG A 36 56.028 42.535 -36.984 1.00 0.34 N ATOM 583 CA ARG A 36 56.891 43.568 -36.340 1.00 0.33 C ATOM 584 C ARG A 36 57.545 42.979 -35.084 1.00 0.36 C ATOM 585 O ARG A 36 56.885 42.732 -34.092 1.00 0.42 O ATOM 586 CB ARG A 36 55.933 44.706 -35.972 1.00 0.37 C ATOM 587 CG ARG A 36 55.915 45.745 -37.102 1.00 0.54 C ATOM 588 CD ARG A 36 56.356 47.110 -36.561 1.00 0.83 C ATOM 589 NE ARG A 36 56.230 48.049 -37.716 1.00 0.89 N ATOM 590 CZ ARG A 36 55.406 49.062 -37.654 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.486 49.909 -36.666 1.00 1.76 N ATOM 592 NH2 ARG A 36 54.507 49.234 -38.587 1.00 1.27 N ATOM 0 H ARG A 36 55.451 41.997 -36.338 1.00 0.34 H new ATOM 0 HA ARG A 36 57.695 43.913 -36.990 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.930 44.313 -35.809 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.248 45.173 -35.039 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.579 45.431 -37.907 1.00 0.54 H new ATOM 0 HG3 ARG A 36 54.913 45.818 -37.525 1.00 0.54 H new ATOM 0 HD2 ARG A 36 55.728 47.425 -35.728 1.00 0.83 H new ATOM 0 HD3 ARG A 36 57.381 47.075 -36.192 1.00 0.83 H new ATOM 0 HE ARG A 36 56.789 47.899 -38.556 1.00 0.89 H new ATOM 0 HH11 ARG A 36 56.192 49.781 -35.941 1.00 1.76 H new ATOM 0 HH12 ARG A 36 54.843 50.699 -36.618 1.00 1.76 H new ATOM 0 HH21 ARG A 36 54.447 48.577 -39.365 1.00 1.27 H new ATOM 0 HH22 ARG A 36 53.865 50.025 -38.537 1.00 1.27 H new ATOM 606 N GLY A 37 58.831 42.731 -35.115 1.00 0.34 N ATOM 607 CA GLY A 37 59.496 42.135 -33.910 1.00 0.39 C ATOM 608 C GLY A 37 60.962 42.583 -33.811 1.00 0.38 C ATOM 609 O GLY A 37 61.342 43.621 -34.314 1.00 0.44 O ATOM 0 H GLY A 37 59.444 42.912 -35.910 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.959 42.434 -33.009 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.447 41.047 -33.964 1.00 0.39 H new ATOM 613 N CYS A 38 61.787 41.798 -33.154 1.00 0.40 N ATOM 614 CA CYS A 38 63.234 42.163 -33.001 1.00 0.41 C ATOM 615 C CYS A 38 64.129 41.145 -33.716 1.00 0.39 C ATOM 616 O CYS A 38 63.859 39.961 -33.710 1.00 0.42 O ATOM 617 CB CYS A 38 63.506 42.094 -31.493 1.00 0.52 C ATOM 618 SG CYS A 38 62.683 43.456 -30.635 1.00 1.14 S ATOM 0 H CYS A 38 61.519 40.917 -32.716 1.00 0.40 H new ATOM 0 HA CYS A 38 63.443 43.144 -33.428 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.153 41.142 -31.098 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.580 42.137 -31.309 1.00 0.52 H new ATOM 623 N ILE A 39 65.211 41.584 -34.309 1.00 0.38 N ATOM 624 CA ILE A 39 66.120 40.620 -34.985 1.00 0.39 C ATOM 625 C ILE A 39 67.554 40.818 -34.485 1.00 0.43 C ATOM 626 O ILE A 39 67.941 41.886 -34.051 1.00 0.48 O ATOM 627 CB ILE A 39 66.008 40.919 -36.494 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.972 39.975 -37.105 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.359 40.697 -37.191 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.090 39.967 -38.628 1.00 0.42 C ATOM 0 H ILE A 39 65.499 42.561 -34.352 1.00 0.38 H new ATOM 0 HA ILE A 39 65.851 39.585 -34.775 1.00 0.39 H new ATOM 0 HB ILE A 39 65.710 41.958 -36.630 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.117 38.967 -36.718 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.969 40.288 -36.813 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.259 40.913 -38.255 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.107 41.359 -36.755 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.671 39.661 -37.059 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.346 39.290 -39.047 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.922 40.973 -39.011 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.087 39.632 -38.914 1.00 0.42 H new ATOM 642 N ASP A 40 68.341 39.789 -34.567 1.00 0.48 N ATOM 643 CA ASP A 40 69.763 39.881 -34.143 1.00 0.56 C ATOM 644 C ASP A 40 70.626 39.803 -35.403 1.00 0.58 C ATOM 645 O ASP A 40 71.720 40.327 -35.469 1.00 0.67 O ATOM 646 CB ASP A 40 69.990 38.662 -33.246 1.00 0.67 C ATOM 647 CG ASP A 40 70.912 39.033 -32.086 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.011 39.490 -32.354 1.00 2.02 O ATOM 649 OD2 ASP A 40 70.506 38.847 -30.951 1.00 1.94 O ATOM 0 H ASP A 40 68.057 38.873 -34.915 1.00 0.48 H new ATOM 0 HA ASP A 40 70.010 40.801 -33.614 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.036 38.300 -32.862 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.429 37.850 -33.826 1.00 0.67 H new ATOM 654 N VAL A 41 70.102 39.157 -36.412 1.00 0.56 N ATOM 655 CA VAL A 41 70.821 39.022 -37.711 1.00 0.63 C ATOM 656 C VAL A 41 69.828 39.284 -38.850 1.00 0.58 C ATOM 657 O VAL A 41 68.897 38.528 -39.053 1.00 0.68 O ATOM 658 CB VAL A 41 71.303 37.570 -37.742 1.00 0.76 C ATOM 659 CG1 VAL A 41 71.646 37.166 -39.177 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.551 37.428 -36.871 1.00 1.57 C ATOM 0 H VAL A 41 69.186 38.708 -36.388 1.00 0.56 H new ATOM 0 HA VAL A 41 71.650 39.721 -37.821 1.00 0.63 H new ATOM 0 HB VAL A 41 70.511 36.924 -37.362 1.00 0.76 H new ATOM 0 HG11 VAL A 41 71.988 36.131 -39.192 1.00 1.54 H new ATOM 0 HG12 VAL A 41 70.760 37.264 -39.804 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.434 37.815 -39.559 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.894 36.394 -36.893 1.00 1.57 H new ATOM 0 HG22 VAL A 41 73.337 38.080 -37.253 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.313 37.709 -35.845 1.00 1.57 H new ATOM 670 N CYS A 42 69.995 40.352 -39.586 1.00 0.72 N ATOM 671 CA CYS A 42 69.030 40.643 -40.688 1.00 0.76 C ATOM 672 C CYS A 42 69.026 39.502 -41.712 1.00 0.76 C ATOM 673 O CYS A 42 70.022 39.254 -42.361 1.00 0.90 O ATOM 674 CB CYS A 42 69.514 41.937 -41.341 1.00 1.00 C ATOM 675 SG CYS A 42 68.549 42.238 -42.845 1.00 1.13 S ATOM 0 H CYS A 42 70.750 41.029 -39.474 1.00 0.72 H new ATOM 0 HA CYS A 42 68.013 40.741 -40.309 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.403 42.772 -40.649 1.00 1.00 H new ATOM 0 HB3 CYS A 42 70.574 41.863 -41.583 1.00 1.00 H new ATOM 680 N PRO A 43 67.902 38.842 -41.824 1.00 0.70 N ATOM 681 CA PRO A 43 67.776 37.721 -42.774 1.00 0.80 C ATOM 682 C PRO A 43 67.882 38.244 -44.209 1.00 0.89 C ATOM 683 O PRO A 43 68.356 39.336 -44.449 1.00 0.97 O ATOM 684 CB PRO A 43 66.365 37.204 -42.494 1.00 0.80 C ATOM 685 CG PRO A 43 65.717 38.084 -41.409 1.00 0.72 C ATOM 686 CD PRO A 43 66.711 39.176 -41.010 1.00 0.65 C ATOM 0 HA PRO A 43 68.545 36.957 -42.664 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.767 37.228 -43.405 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.403 36.166 -42.164 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.795 38.530 -41.784 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.450 37.480 -40.542 1.00 0.72 H new ATOM 0 HD2 PRO A 43 66.331 40.172 -41.237 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.930 39.154 -39.943 1.00 0.65 H new ATOM 694 N LYS A 44 67.436 37.479 -45.161 1.00 1.04 N ATOM 695 CA LYS A 44 67.507 37.937 -46.576 1.00 1.19 C ATOM 696 C LYS A 44 66.097 38.099 -47.148 1.00 1.07 C ATOM 697 O LYS A 44 65.240 37.262 -46.951 1.00 1.52 O ATOM 698 CB LYS A 44 68.259 36.827 -47.304 1.00 1.53 C ATOM 699 CG LYS A 44 69.677 36.729 -46.740 1.00 2.08 C ATOM 700 CD LYS A 44 70.654 36.395 -47.869 1.00 2.77 C ATOM 701 CE LYS A 44 72.075 36.800 -47.466 1.00 3.61 C ATOM 702 NZ LYS A 44 72.738 35.532 -47.048 1.00 4.19 N ATOM 0 H LYS A 44 67.025 36.556 -45.023 1.00 1.04 H new ATOM 0 HA LYS A 44 68.002 38.903 -46.679 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.739 35.877 -47.181 1.00 1.53 H new ATOM 0 HB3 LYS A 44 68.293 37.035 -48.373 1.00 1.53 H new ATOM 0 HG2 LYS A 44 69.958 37.671 -46.268 1.00 2.08 H new ATOM 0 HG3 LYS A 44 69.720 35.961 -45.968 1.00 2.08 H new ATOM 0 HD2 LYS A 44 70.619 35.328 -48.088 1.00 2.77 H new ATOM 0 HD3 LYS A 44 70.362 36.917 -48.780 1.00 2.77 H new ATOM 0 HE2 LYS A 44 72.603 37.265 -48.298 1.00 3.61 H new ATOM 0 HE3 LYS A 44 72.062 37.525 -46.652 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 73.717 35.731 -46.758 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 72.218 35.115 -46.249 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 72.742 34.864 -47.845 1.00 4.19 H new ATOM 716 N SER A 45 65.852 39.166 -47.861 1.00 1.01 N ATOM 717 CA SER A 45 64.496 39.368 -48.447 1.00 0.93 C ATOM 718 C SER A 45 64.296 38.417 -49.621 1.00 0.94 C ATOM 719 O SER A 45 65.178 37.662 -49.976 1.00 1.20 O ATOM 720 CB SER A 45 64.475 40.814 -48.935 1.00 1.04 C ATOM 721 OG SER A 45 65.538 41.015 -49.858 1.00 1.64 O ATOM 0 H SER A 45 66.528 39.903 -48.062 1.00 1.01 H new ATOM 0 HA SER A 45 63.703 39.173 -47.724 1.00 0.93 H new ATOM 0 HB2 SER A 45 63.519 41.036 -49.410 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.577 41.496 -48.091 1.00 1.04 H new ATOM 0 HG SER A 45 65.526 41.942 -50.174 1.00 1.64 H new ATOM 727 N SER A 46 63.144 38.446 -50.226 1.00 0.84 N ATOM 728 CA SER A 46 62.905 37.534 -51.381 1.00 1.02 C ATOM 729 C SER A 46 61.920 38.148 -52.383 1.00 1.10 C ATOM 730 O SER A 46 61.905 39.342 -52.605 1.00 1.66 O ATOM 731 CB SER A 46 62.332 36.261 -50.766 1.00 1.08 C ATOM 732 OG SER A 46 62.036 35.333 -51.801 1.00 1.49 O ATOM 0 H SER A 46 62.364 39.054 -49.976 1.00 0.84 H new ATOM 0 HA SER A 46 63.821 37.344 -51.941 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.047 35.828 -50.066 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.430 36.491 -50.199 1.00 1.08 H new ATOM 0 HG SER A 46 61.669 34.513 -51.410 1.00 1.49 H new ATOM 738 N LEU A 47 61.117 37.327 -53.004 1.00 1.13 N ATOM 739 CA LEU A 47 60.145 37.838 -54.017 1.00 1.25 C ATOM 740 C LEU A 47 58.813 38.217 -53.368 1.00 0.98 C ATOM 741 O LEU A 47 58.173 39.173 -53.759 1.00 1.23 O ATOM 742 CB LEU A 47 59.944 36.663 -54.975 1.00 1.60 C ATOM 743 CG LEU A 47 59.988 37.159 -56.422 1.00 2.09 C ATOM 744 CD1 LEU A 47 58.804 38.092 -56.679 1.00 2.75 C ATOM 745 CD2 LEU A 47 61.294 37.917 -56.669 1.00 2.50 C ATOM 0 H LEU A 47 61.091 36.319 -52.853 1.00 1.13 H new ATOM 0 HA LEU A 47 60.512 38.737 -54.513 1.00 1.25 H new ATOM 0 HB2 LEU A 47 60.720 35.914 -54.814 1.00 1.60 H new ATOM 0 HB3 LEU A 47 58.988 36.179 -54.776 1.00 1.60 H new ATOM 0 HG LEU A 47 59.933 36.304 -57.096 1.00 2.09 H new ATOM 0 HD11 LEU A 47 58.836 38.445 -57.710 1.00 2.75 H new ATOM 0 HD12 LEU A 47 57.872 37.553 -56.509 1.00 2.75 H new ATOM 0 HD13 LEU A 47 58.859 38.944 -56.002 1.00 2.75 H new ATOM 0 HD21 LEU A 47 61.321 38.268 -57.700 1.00 2.50 H new ATOM 0 HD22 LEU A 47 61.353 38.770 -55.993 1.00 2.50 H new ATOM 0 HD23 LEU A 47 62.140 37.253 -56.489 1.00 2.50 H new ATOM 757 N LEU A 48 58.380 37.469 -52.391 1.00 0.79 N ATOM 758 CA LEU A 48 57.078 37.785 -51.737 1.00 0.85 C ATOM 759 C LEU A 48 57.291 38.168 -50.268 1.00 0.71 C ATOM 760 O LEU A 48 56.662 39.070 -49.758 1.00 0.92 O ATOM 761 CB LEU A 48 56.255 36.500 -51.850 1.00 1.16 C ATOM 762 CG LEU A 48 55.169 36.667 -52.921 1.00 1.67 C ATOM 763 CD1 LEU A 48 54.407 37.973 -52.687 1.00 2.36 C ATOM 764 CD2 LEU A 48 55.814 36.702 -54.310 1.00 2.47 C ATOM 0 H LEU A 48 58.869 36.655 -52.018 1.00 0.79 H new ATOM 0 HA LEU A 48 56.577 38.631 -52.207 1.00 0.85 H new ATOM 0 HB2 LEU A 48 56.905 35.663 -52.106 1.00 1.16 H new ATOM 0 HB3 LEU A 48 55.797 36.266 -50.889 1.00 1.16 H new ATOM 0 HG LEU A 48 54.478 35.826 -52.860 1.00 1.67 H new ATOM 0 HD11 LEU A 48 53.637 38.087 -53.450 1.00 2.36 H new ATOM 0 HD12 LEU A 48 53.941 37.951 -51.702 1.00 2.36 H new ATOM 0 HD13 LEU A 48 55.099 38.813 -52.742 1.00 2.36 H new ATOM 0 HD21 LEU A 48 55.040 36.821 -55.068 1.00 2.47 H new ATOM 0 HD22 LEU A 48 56.509 37.540 -54.367 1.00 2.47 H new ATOM 0 HD23 LEU A 48 56.353 35.771 -54.485 1.00 2.47 H new ATOM 776 N VAL A 49 58.175 37.493 -49.587 1.00 0.54 N ATOM 777 CA VAL A 49 58.424 37.826 -48.154 1.00 0.49 C ATOM 778 C VAL A 49 59.606 38.803 -48.044 1.00 0.42 C ATOM 779 O VAL A 49 60.728 38.485 -48.395 1.00 0.58 O ATOM 780 CB VAL A 49 58.737 36.479 -47.487 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.041 35.912 -48.045 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.874 36.667 -45.975 1.00 1.13 C ATOM 0 H VAL A 49 58.736 36.726 -49.959 1.00 0.54 H new ATOM 0 HA VAL A 49 57.576 38.316 -47.676 1.00 0.49 H new ATOM 0 HB VAL A 49 57.922 35.786 -47.695 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.256 34.956 -47.567 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.943 35.766 -49.121 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.855 36.609 -47.846 1.00 0.99 H new ATOM 0 HG21 VAL A 49 59.096 35.708 -45.508 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.683 37.368 -45.767 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.941 37.060 -45.571 1.00 1.13 H new ATOM 792 N LYS A 50 59.358 40.000 -47.577 1.00 0.40 N ATOM 793 CA LYS A 50 60.460 41.001 -47.461 1.00 0.42 C ATOM 794 C LYS A 50 60.362 41.740 -46.125 1.00 0.44 C ATOM 795 O LYS A 50 59.289 42.007 -45.637 1.00 0.55 O ATOM 796 CB LYS A 50 60.223 41.973 -48.621 1.00 0.57 C ATOM 797 CG LYS A 50 61.539 42.657 -49.000 1.00 1.02 C ATOM 798 CD LYS A 50 61.252 44.075 -49.511 1.00 1.41 C ATOM 799 CE LYS A 50 62.567 44.852 -49.689 1.00 1.74 C ATOM 800 NZ LYS A 50 63.439 44.432 -48.554 1.00 2.40 N ATOM 0 H LYS A 50 58.441 40.327 -47.272 1.00 0.40 H new ATOM 0 HA LYS A 50 61.447 40.540 -47.501 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.820 41.437 -49.480 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.483 42.721 -48.336 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.202 42.698 -48.136 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.053 42.079 -49.768 1.00 1.02 H new ATOM 0 HD2 LYS A 50 60.719 44.026 -50.460 1.00 1.41 H new ATOM 0 HD3 LYS A 50 60.604 44.599 -48.808 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.032 44.620 -50.647 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.392 45.928 -49.671 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 64.216 45.114 -48.443 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 62.878 44.400 -47.679 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 63.831 43.489 -48.748 1.00 2.40 H new ATOM 814 N TYR A 51 61.472 42.078 -45.529 1.00 0.44 N ATOM 815 CA TYR A 51 61.418 42.817 -44.226 1.00 0.52 C ATOM 816 C TYR A 51 62.536 43.854 -44.170 1.00 0.45 C ATOM 817 O TYR A 51 63.426 43.873 -44.997 1.00 0.59 O ATOM 818 CB TYR A 51 61.604 41.791 -43.087 1.00 0.73 C ATOM 819 CG TYR A 51 62.022 40.447 -43.624 1.00 0.50 C ATOM 820 CD1 TYR A 51 61.124 39.692 -44.374 1.00 0.69 C ATOM 821 CD2 TYR A 51 63.306 39.962 -43.376 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.500 38.448 -44.880 1.00 0.76 C ATOM 823 CE2 TYR A 51 63.685 38.723 -43.882 1.00 1.19 C ATOM 824 CZ TYR A 51 62.785 37.961 -44.634 1.00 1.05 C ATOM 825 OH TYR A 51 63.169 36.732 -45.132 1.00 1.47 O ATOM 0 H TYR A 51 62.409 41.879 -45.880 1.00 0.44 H new ATOM 0 HA TYR A 51 60.462 43.331 -44.124 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.355 42.155 -42.386 1.00 0.73 H new ATOM 0 HB3 TYR A 51 60.672 41.689 -42.531 1.00 0.73 H new ATOM 0 HD1 TYR A 51 60.131 40.072 -44.565 1.00 0.69 H new ATOM 0 HD2 TYR A 51 64.003 40.546 -42.793 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.800 37.864 -45.460 1.00 0.76 H new ATOM 0 HE2 TYR A 51 64.680 38.347 -43.693 1.00 1.19 H new ATOM 0 HH TYR A 51 63.884 36.855 -45.791 1.00 1.47 H new ATOM 835 N VAL A 52 62.499 44.712 -43.192 1.00 0.44 N ATOM 836 CA VAL A 52 63.561 45.746 -43.064 1.00 0.49 C ATOM 837 C VAL A 52 64.317 45.527 -41.757 1.00 0.43 C ATOM 838 O VAL A 52 63.722 45.314 -40.716 1.00 0.56 O ATOM 839 CB VAL A 52 62.812 47.076 -43.047 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.807 48.233 -42.937 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.010 47.216 -44.343 1.00 0.82 C ATOM 0 H VAL A 52 61.776 44.742 -42.473 1.00 0.44 H new ATOM 0 HA VAL A 52 64.293 45.712 -43.871 1.00 0.49 H new ATOM 0 HB VAL A 52 62.139 47.102 -42.190 1.00 0.69 H new ATOM 0 HG11 VAL A 52 63.265 49.179 -42.925 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.381 48.133 -42.016 1.00 1.02 H new ATOM 0 HG13 VAL A 52 64.484 48.213 -43.791 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.472 48.164 -44.338 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.689 47.189 -45.196 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.297 46.395 -44.420 1.00 0.82 H new ATOM 851 N CYS A 53 65.619 45.558 -41.800 1.00 0.44 N ATOM 852 CA CYS A 53 66.404 45.328 -40.556 1.00 0.47 C ATOM 853 C CYS A 53 67.125 46.603 -40.120 1.00 0.46 C ATOM 854 O CYS A 53 67.938 47.147 -40.843 1.00 0.68 O ATOM 855 CB CYS A 53 67.448 44.252 -40.893 1.00 0.73 C ATOM 856 SG CYS A 53 66.856 43.116 -42.172 1.00 1.39 S ATOM 0 H CYS A 53 66.172 45.732 -42.639 1.00 0.44 H new ATOM 0 HA CYS A 53 65.745 45.023 -39.743 1.00 0.47 H new ATOM 0 HB2 CYS A 53 68.367 44.731 -41.230 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.693 43.689 -39.992 1.00 0.73 H new ATOM 861 N CYS A 54 66.859 47.066 -38.931 1.00 0.39 N ATOM 862 CA CYS A 54 67.559 48.290 -38.434 1.00 0.51 C ATOM 863 C CYS A 54 68.166 47.994 -37.062 1.00 0.48 C ATOM 864 O CYS A 54 67.514 47.448 -36.197 1.00 0.46 O ATOM 865 CB CYS A 54 66.489 49.376 -38.345 1.00 0.68 C ATOM 866 SG CYS A 54 65.074 48.750 -37.416 1.00 1.08 S ATOM 0 H CYS A 54 66.190 46.654 -38.281 1.00 0.39 H new ATOM 0 HA CYS A 54 68.371 48.607 -39.089 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.895 50.262 -37.857 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.177 49.677 -39.345 1.00 0.68 H new ATOM 871 N ASN A 55 69.408 48.352 -36.868 1.00 0.52 N ATOM 872 CA ASN A 55 70.097 48.079 -35.556 1.00 0.55 C ATOM 873 C ASN A 55 69.889 49.253 -34.614 1.00 0.54 C ATOM 874 O ASN A 55 70.782 50.030 -34.340 1.00 0.61 O ATOM 875 CB ASN A 55 71.603 47.897 -35.861 1.00 0.67 C ATOM 876 CG ASN A 55 72.004 48.601 -37.168 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.880 48.035 -38.236 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.486 49.813 -37.129 1.00 2.32 N ATOM 0 H ASN A 55 69.985 48.826 -37.563 1.00 0.52 H new ATOM 0 HA ASN A 55 69.692 47.187 -35.078 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.193 48.296 -35.036 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.835 46.834 -35.933 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.757 50.282 -37.993 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.592 50.291 -36.234 1.00 2.32 H new ATOM 885 N THR A 56 68.696 49.371 -34.124 1.00 0.49 N ATOM 886 CA THR A 56 68.368 50.487 -33.191 1.00 0.50 C ATOM 887 C THR A 56 67.271 50.056 -32.218 1.00 0.48 C ATOM 888 O THR A 56 66.974 48.887 -32.072 1.00 0.57 O ATOM 889 CB THR A 56 67.879 51.630 -34.086 1.00 0.54 C ATOM 890 OG1 THR A 56 67.998 51.252 -35.451 1.00 1.15 O ATOM 891 CG2 THR A 56 68.718 52.882 -33.828 1.00 1.16 C ATOM 0 H THR A 56 67.922 48.739 -34.328 1.00 0.49 H new ATOM 0 HA THR A 56 69.226 50.786 -32.589 1.00 0.50 H new ATOM 0 HB THR A 56 66.834 51.842 -33.858 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.313 50.585 -35.667 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.367 53.693 -34.466 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.622 53.175 -32.783 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.764 52.671 -34.051 1.00 1.16 H new ATOM 899 N ASP A 57 66.641 51.000 -31.579 1.00 0.58 N ATOM 900 CA ASP A 57 65.531 50.666 -30.646 1.00 0.60 C ATOM 901 C ASP A 57 64.242 51.283 -31.189 1.00 0.59 C ATOM 902 O ASP A 57 64.108 52.489 -31.255 1.00 0.72 O ATOM 903 CB ASP A 57 65.916 51.302 -29.309 1.00 0.71 C ATOM 904 CG ASP A 57 64.785 51.080 -28.307 1.00 0.95 C ATOM 905 OD1 ASP A 57 63.678 51.500 -28.595 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.046 50.491 -27.271 1.00 1.47 O ATOM 0 H ASP A 57 66.849 51.995 -31.664 1.00 0.58 H new ATOM 0 HA ASP A 57 65.372 49.593 -30.535 1.00 0.60 H new ATOM 0 HB2 ASP A 57 66.841 50.862 -28.936 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.100 52.369 -29.439 1.00 0.71 H new ATOM 911 N ARG A 58 63.305 50.472 -31.608 1.00 0.56 N ATOM 912 CA ARG A 58 62.037 51.024 -32.181 1.00 0.61 C ATOM 913 C ARG A 58 62.359 51.648 -33.543 1.00 0.60 C ATOM 914 O ARG A 58 62.045 52.791 -33.807 1.00 0.87 O ATOM 915 CB ARG A 58 61.571 52.096 -31.186 1.00 0.73 C ATOM 916 CG ARG A 58 60.069 52.347 -31.352 1.00 0.93 C ATOM 917 CD ARG A 58 59.355 52.099 -30.022 1.00 1.16 C ATOM 918 NE ARG A 58 58.110 52.915 -30.095 1.00 1.10 N ATOM 919 CZ ARG A 58 58.009 54.018 -29.402 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.490 55.132 -29.880 1.00 1.52 N ATOM 921 NH2 ARG A 58 57.431 54.005 -28.233 1.00 1.91 N ATOM 0 H ARG A 58 63.361 49.454 -31.579 1.00 0.56 H new ATOM 0 HA ARG A 58 61.265 50.269 -32.327 1.00 0.61 H new ATOM 0 HB2 ARG A 58 61.784 51.775 -30.166 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.123 53.021 -31.351 1.00 0.73 H new ATOM 0 HG2 ARG A 58 59.896 53.371 -31.683 1.00 0.93 H new ATOM 0 HG3 ARG A 58 59.664 51.690 -32.122 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.127 51.042 -29.888 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.976 52.401 -29.178 1.00 1.16 H new ATOM 0 HE ARG A 58 57.336 52.612 -30.686 1.00 1.10 H new ATOM 0 HH11 ARG A 58 58.944 55.141 -30.793 1.00 1.52 H new ATOM 0 HH12 ARG A 58 58.412 55.994 -29.341 1.00 1.52 H new ATOM 0 HH21 ARG A 58 57.057 53.133 -27.859 1.00 1.91 H new ATOM 0 HH22 ARG A 58 57.353 54.867 -27.693 1.00 1.91 H new ATOM 935 N CYS A 59 63.026 50.907 -34.394 1.00 0.44 N ATOM 936 CA CYS A 59 63.423 51.459 -35.725 1.00 0.47 C ATOM 937 C CYS A 59 62.771 50.695 -36.888 1.00 0.60 C ATOM 938 O CYS A 59 63.258 50.729 -38.001 1.00 1.14 O ATOM 939 CB CYS A 59 64.940 51.275 -35.762 1.00 0.42 C ATOM 940 SG CYS A 59 65.335 49.520 -35.566 1.00 0.84 S ATOM 0 H CYS A 59 63.312 49.943 -34.223 1.00 0.44 H new ATOM 0 HA CYS A 59 63.105 52.495 -35.840 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.340 51.646 -36.706 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.408 51.856 -34.967 1.00 0.42 H new ATOM 945 N ASN A 60 61.679 50.019 -36.662 1.00 0.52 N ATOM 946 CA ASN A 60 61.027 49.282 -37.788 1.00 0.55 C ATOM 947 C ASN A 60 59.544 49.639 -37.869 1.00 0.71 C ATOM 948 O ASN A 60 59.112 50.059 -38.931 1.00 1.39 O ATOM 949 CB ASN A 60 61.207 47.796 -37.471 1.00 0.41 C ATOM 950 CG ASN A 60 60.350 47.410 -36.260 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.219 48.175 -35.320 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.761 46.242 -36.240 1.00 0.40 N ATOM 953 OXT ASN A 60 58.864 49.484 -36.871 1.00 1.25 O ATOM 0 H ASN A 60 61.212 49.943 -35.758 1.00 0.52 H new ATOM 0 HA ASN A 60 61.469 49.541 -38.750 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.923 47.195 -38.334 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.256 47.584 -37.267 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.192 45.971 -35.438 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.871 45.602 -37.027 1.00 0.40 H new