USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 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= -9.2! C(o=-15!,f=-31!) USER MOD Set 1.2: A 60 ASN : amide:sc= -5.57! C(o=-15!,f=-25!) USER MOD Single : A 1 LEU N :NH3+ 160:sc= -0.562 (180deg=-1.45) USER MOD Single : A 2 LYS NZ :NH3+ -145:sc= -0.166 (180deg=-2.03!) 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 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -0.0018 (180deg=-0.0018) USER MOD Single : A 19 ASN : amide:sc= -0.922 X(o=-0.92,f=-0.99) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -109:sc= -3.94! (180deg=-7.41!) USER MOD Single : A 24 MET CE :methyl 144:sc= -0.529 (180deg=-2.52!) USER MOD Single : A 26 MET CE :methyl -179:sc= -1.3 (180deg=-1.39) 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+ -151:sc=-0.00459 (180deg=-0.542) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 90:sc= -0.701 USER MOD Single : A 46 SER OG : rot 180:sc= 0.268 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 55 ASN : amide:sc= -1.49! C(o=-1.5!,f=-3!) USER MOD Single : A 56 THR OG1 : rot 82:sc= 0.556 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.668 46.102 -24.633 1.00 1.26 N ATOM 2 CA LEU A 1 65.918 47.218 -25.285 1.00 0.65 C ATOM 3 C LEU A 1 64.556 46.727 -25.796 1.00 0.58 C ATOM 4 O LEU A 1 64.124 45.626 -25.496 1.00 0.77 O ATOM 5 CB LEU A 1 66.794 47.694 -26.447 1.00 1.19 C ATOM 6 CG LEU A 1 66.845 46.628 -27.541 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.792 47.306 -28.910 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.148 45.842 -27.419 1.00 1.53 C ATOM 0 H1 LEU A 1 67.681 46.337 -24.600 1.00 1.26 H new ATOM 0 H2 LEU A 1 66.313 45.964 -23.665 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.533 45.227 -25.179 1.00 1.26 H new ATOM 0 HA LEU A 1 65.718 48.027 -24.583 1.00 0.65 H new ATOM 0 HB2 LEU A 1 66.397 48.624 -26.854 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.801 47.907 -26.089 1.00 1.19 H new ATOM 0 HG LEU A 1 65.997 45.952 -27.433 1.00 1.07 H new ATOM 0 HD11 LEU A 1 66.828 46.548 -29.693 1.00 1.38 H new ATOM 0 HD12 LEU A 1 65.867 47.875 -28.998 1.00 1.38 H new ATOM 0 HD13 LEU A 1 67.643 47.978 -29.016 1.00 1.38 H new ATOM 0 HD21 LEU A 1 68.188 45.081 -28.198 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.994 46.520 -27.531 1.00 1.53 H new ATOM 0 HD23 LEU A 1 68.194 45.363 -26.441 1.00 1.53 H new ATOM 22 N LYS A 2 63.867 47.546 -26.548 1.00 0.45 N ATOM 23 CA LYS A 2 62.522 47.135 -27.058 1.00 0.53 C ATOM 24 C LYS A 2 62.214 47.781 -28.421 1.00 0.43 C ATOM 25 O LYS A 2 62.246 48.990 -28.559 1.00 0.59 O ATOM 26 CB LYS A 2 61.547 47.643 -25.990 1.00 0.71 C ATOM 27 CG LYS A 2 61.061 46.468 -25.136 1.00 1.14 C ATOM 28 CD LYS A 2 61.056 46.866 -23.657 1.00 1.23 C ATOM 29 CE LYS A 2 62.192 46.137 -22.938 1.00 1.98 C ATOM 30 NZ LYS A 2 63.317 47.110 -22.925 1.00 2.63 N ATOM 0 H LYS A 2 64.174 48.477 -26.830 1.00 0.45 H new ATOM 0 HA LYS A 2 62.456 46.059 -27.218 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.037 48.385 -25.360 1.00 0.71 H new ATOM 0 HB3 LYS A 2 60.698 48.137 -26.463 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.059 46.172 -25.445 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.709 45.605 -25.287 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.179 47.944 -23.558 1.00 1.23 H new ATOM 0 HD3 LYS A 2 60.099 46.611 -23.202 1.00 1.23 H new ATOM 0 HE2 LYS A 2 61.902 45.853 -21.926 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.467 45.220 -23.460 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 64.218 46.600 -23.026 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.207 47.778 -23.714 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 63.314 47.633 -22.026 1.00 2.63 H new ATOM 44 N CYS A 3 61.889 46.996 -29.418 1.00 0.40 N ATOM 45 CA CYS A 3 61.555 47.583 -30.756 1.00 0.40 C ATOM 46 C CYS A 3 60.042 47.843 -30.838 1.00 0.40 C ATOM 47 O CYS A 3 59.260 47.153 -30.219 1.00 0.44 O ATOM 48 CB CYS A 3 61.971 46.525 -31.786 1.00 0.54 C ATOM 49 SG CYS A 3 63.784 46.443 -31.896 1.00 0.68 S ATOM 0 H CYS A 3 61.840 45.979 -29.366 1.00 0.40 H new ATOM 0 HA CYS A 3 62.064 48.531 -30.931 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.571 45.552 -31.501 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.550 46.770 -32.761 1.00 0.54 H new ATOM 54 N ASN A 4 59.616 48.826 -31.590 1.00 0.43 N ATOM 55 CA ASN A 4 58.141 49.102 -31.680 1.00 0.49 C ATOM 56 C ASN A 4 57.394 47.823 -32.040 1.00 0.49 C ATOM 57 O ASN A 4 57.980 46.857 -32.484 1.00 0.55 O ATOM 58 CB ASN A 4 57.923 50.116 -32.817 1.00 0.60 C ATOM 59 CG ASN A 4 59.060 51.130 -32.891 1.00 0.99 C ATOM 60 OD1 ASN A 4 60.213 50.763 -32.861 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.779 52.399 -33.011 1.00 1.09 N ATOM 0 H ASN A 4 60.212 49.444 -32.140 1.00 0.43 H new ATOM 0 HA ASN A 4 57.776 49.481 -30.725 1.00 0.49 H new ATOM 0 HB2 ASN A 4 57.844 49.587 -33.767 1.00 0.60 H new ATOM 0 HB3 ASN A 4 56.979 50.638 -32.664 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.532 53.084 -33.080 1.00 1.09 H new ATOM 0 HD22 ASN A 4 57.807 52.706 -33.036 1.00 1.09 H new ATOM 68 N LYS A 5 56.096 47.819 -31.900 1.00 0.52 N ATOM 69 CA LYS A 5 55.337 46.609 -32.295 1.00 0.60 C ATOM 70 C LYS A 5 54.461 46.947 -33.495 1.00 0.71 C ATOM 71 O LYS A 5 54.188 48.096 -33.779 1.00 1.48 O ATOM 72 CB LYS A 5 54.506 46.156 -31.073 1.00 0.68 C ATOM 73 CG LYS A 5 53.024 46.532 -31.212 1.00 1.03 C ATOM 74 CD LYS A 5 52.225 45.372 -31.835 1.00 1.48 C ATOM 75 CE LYS A 5 52.536 44.058 -31.111 1.00 1.84 C ATOM 76 NZ LYS A 5 51.477 43.109 -31.558 1.00 2.49 N ATOM 0 H LYS A 5 55.539 48.591 -31.534 1.00 0.52 H new ATOM 0 HA LYS A 5 55.995 45.792 -32.591 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.596 45.076 -30.954 1.00 0.68 H new ATOM 0 HB3 LYS A 5 54.912 46.611 -30.170 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.613 46.779 -30.233 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.926 47.423 -31.833 1.00 1.03 H new ATOM 0 HD2 LYS A 5 51.158 45.584 -31.774 1.00 1.48 H new ATOM 0 HD3 LYS A 5 52.472 45.279 -32.893 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.529 43.691 -31.370 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.516 44.190 -30.029 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.624 42.185 -31.103 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 50.543 43.481 -31.292 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.524 42.998 -32.591 1.00 2.49 H new ATOM 90 N LEU A 6 54.042 45.946 -34.191 1.00 0.53 N ATOM 91 CA LEU A 6 53.191 46.132 -35.392 1.00 0.57 C ATOM 92 C LEU A 6 52.296 47.372 -35.284 1.00 0.62 C ATOM 93 O LEU A 6 52.238 48.182 -36.186 1.00 0.72 O ATOM 94 CB LEU A 6 52.357 44.863 -35.408 1.00 0.59 C ATOM 95 CG LEU A 6 52.514 44.151 -36.740 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.437 43.070 -36.846 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.364 45.153 -37.889 1.00 0.78 C ATOM 0 H LEU A 6 54.258 44.973 -33.975 1.00 0.53 H new ATOM 0 HA LEU A 6 53.775 46.291 -36.299 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.667 44.205 -34.596 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.308 45.106 -35.238 1.00 0.59 H new ATOM 0 HG LEU A 6 53.503 43.696 -36.803 1.00 0.70 H new ATOM 0 HD11 LEU A 6 51.537 42.549 -37.798 1.00 1.22 H new ATOM 0 HD12 LEU A 6 51.554 42.358 -36.029 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.451 43.531 -36.786 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.478 44.635 -38.841 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.378 45.615 -37.843 1.00 0.78 H new ATOM 0 HD23 LEU A 6 53.130 45.924 -37.802 1.00 0.78 H new ATOM 109 N VAL A 7 51.591 47.523 -34.200 1.00 0.61 N ATOM 110 CA VAL A 7 50.695 48.704 -34.062 1.00 0.71 C ATOM 111 C VAL A 7 51.415 49.866 -33.364 1.00 0.70 C ATOM 112 O VAL A 7 52.154 49.654 -32.423 1.00 0.62 O ATOM 113 CB VAL A 7 49.534 48.220 -33.195 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.438 49.286 -33.188 1.00 0.93 C ATOM 115 CG2 VAL A 7 48.972 46.918 -33.770 1.00 0.79 C ATOM 0 H VAL A 7 51.595 46.883 -33.406 1.00 0.61 H new ATOM 0 HA VAL A 7 50.370 49.073 -35.035 1.00 0.71 H new ATOM 0 HB VAL A 7 49.885 48.043 -32.178 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.605 48.948 -32.571 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.837 50.215 -32.781 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.089 49.456 -34.207 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.144 46.574 -33.150 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.617 47.092 -34.786 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.754 46.159 -33.784 1.00 0.79 H new ATOM 125 N PRO A 8 51.156 51.070 -33.826 1.00 0.84 N ATOM 126 CA PRO A 8 51.765 52.273 -33.210 1.00 0.91 C ATOM 127 C PRO A 8 51.215 52.458 -31.796 1.00 0.92 C ATOM 128 O PRO A 8 50.649 53.482 -31.466 1.00 1.21 O ATOM 129 CB PRO A 8 51.293 53.401 -34.133 1.00 1.09 C ATOM 130 CG PRO A 8 50.434 52.790 -35.257 1.00 1.12 C ATOM 131 CD PRO A 8 50.254 51.294 -34.978 1.00 0.97 C ATOM 0 HA PRO A 8 52.850 52.227 -33.117 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.714 54.133 -33.570 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.149 53.928 -34.555 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.464 53.285 -35.303 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.915 52.939 -36.224 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.220 51.048 -34.737 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.535 50.685 -35.837 1.00 0.97 H new ATOM 139 N LEU A 9 51.372 51.470 -30.964 1.00 0.78 N ATOM 140 CA LEU A 9 50.858 51.568 -29.580 1.00 0.82 C ATOM 141 C LEU A 9 51.754 50.768 -28.635 1.00 0.72 C ATOM 142 O LEU A 9 52.139 51.236 -27.582 1.00 0.84 O ATOM 143 CB LEU A 9 49.463 50.943 -29.631 1.00 0.87 C ATOM 144 CG LEU A 9 48.431 51.982 -30.070 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.206 51.260 -30.635 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.013 52.821 -28.862 1.00 1.60 C ATOM 0 H LEU A 9 51.839 50.592 -31.189 1.00 0.78 H new ATOM 0 HA LEU A 9 50.836 52.596 -29.219 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.459 50.102 -30.324 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.198 50.549 -28.650 1.00 0.87 H new ATOM 0 HG LEU A 9 48.861 52.631 -30.833 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.465 51.994 -30.951 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.504 50.654 -31.491 1.00 1.82 H new ATOM 0 HD13 LEU A 9 46.776 50.617 -29.867 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.277 53.563 -29.172 1.00 1.60 H new ATOM 0 HD22 LEU A 9 47.577 52.173 -28.102 1.00 1.60 H new ATOM 0 HD23 LEU A 9 48.887 53.326 -28.450 1.00 1.60 H new ATOM 158 N PHE A 10 52.077 49.558 -29.001 1.00 0.57 N ATOM 159 CA PHE A 10 52.936 48.718 -28.120 1.00 0.55 C ATOM 160 C PHE A 10 54.246 48.364 -28.834 1.00 0.49 C ATOM 161 O PHE A 10 54.430 48.652 -30.000 1.00 0.52 O ATOM 162 CB PHE A 10 52.132 47.434 -27.797 1.00 0.62 C ATOM 163 CG PHE A 10 50.800 47.392 -28.537 1.00 0.64 C ATOM 164 CD1 PHE A 10 49.835 48.381 -28.307 1.00 0.75 C ATOM 165 CD2 PHE A 10 50.528 46.356 -29.445 1.00 0.77 C ATOM 166 CE1 PHE A 10 48.608 48.337 -28.980 1.00 0.89 C ATOM 167 CE2 PHE A 10 49.301 46.314 -30.118 1.00 0.92 C ATOM 168 CZ PHE A 10 48.342 47.305 -29.886 1.00 0.94 C ATOM 0 H PHE A 10 51.783 49.115 -29.872 1.00 0.57 H new ATOM 0 HA PHE A 10 53.196 49.252 -27.206 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.724 46.559 -28.066 1.00 0.62 H new ATOM 0 HB3 PHE A 10 51.952 47.380 -26.723 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.038 49.180 -27.609 1.00 0.75 H new ATOM 0 HD2 PHE A 10 51.267 45.589 -29.625 1.00 0.77 H new ATOM 0 HE1 PHE A 10 47.866 49.101 -28.799 1.00 0.89 H new ATOM 0 HE2 PHE A 10 49.095 45.516 -30.816 1.00 0.92 H new ATOM 0 HZ PHE A 10 47.396 47.274 -30.406 1.00 0.94 H new ATOM 178 N TYR A 11 55.155 47.736 -28.137 1.00 0.47 N ATOM 179 CA TYR A 11 56.458 47.349 -28.758 1.00 0.44 C ATOM 180 C TYR A 11 56.881 45.977 -28.236 1.00 0.49 C ATOM 181 O TYR A 11 56.243 45.412 -27.369 1.00 0.62 O ATOM 182 CB TYR A 11 57.440 48.425 -28.326 1.00 0.42 C ATOM 183 CG TYR A 11 57.318 48.624 -26.843 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.313 49.446 -26.321 1.00 0.69 C ATOM 185 CD2 TYR A 11 58.204 47.971 -25.986 1.00 0.70 C ATOM 186 CE1 TYR A 11 56.198 49.613 -24.938 1.00 0.80 C ATOM 187 CE2 TYR A 11 58.089 48.135 -24.605 1.00 0.76 C ATOM 188 CZ TYR A 11 57.087 48.956 -24.079 1.00 0.67 C ATOM 189 OH TYR A 11 56.974 49.116 -22.714 1.00 0.83 O ATOM 0 H TYR A 11 55.051 47.472 -27.157 1.00 0.47 H new ATOM 0 HA TYR A 11 56.405 47.277 -29.844 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.458 48.133 -28.585 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.233 49.358 -28.850 1.00 0.42 H new ATOM 0 HD1 TYR A 11 55.627 49.951 -26.986 1.00 0.69 H new ATOM 0 HD2 TYR A 11 58.979 47.338 -26.392 1.00 0.70 H new ATOM 0 HE1 TYR A 11 55.424 50.248 -24.533 1.00 0.80 H new ATOM 0 HE2 TYR A 11 58.774 47.628 -23.942 1.00 0.76 H new ATOM 0 HH TYR A 11 57.668 48.590 -22.264 1.00 0.83 H new ATOM 199 N LYS A 12 57.940 45.427 -28.756 1.00 0.50 N ATOM 200 CA LYS A 12 58.380 44.088 -28.281 1.00 0.59 C ATOM 201 C LYS A 12 59.786 44.176 -27.686 1.00 0.49 C ATOM 202 O LYS A 12 60.456 45.184 -27.799 1.00 0.49 O ATOM 203 CB LYS A 12 58.365 43.212 -29.533 1.00 0.74 C ATOM 204 CG LYS A 12 57.963 41.792 -29.149 1.00 1.20 C ATOM 205 CD LYS A 12 58.771 40.794 -29.978 1.00 1.50 C ATOM 206 CE LYS A 12 58.658 39.404 -29.350 1.00 1.68 C ATOM 207 NZ LYS A 12 57.929 38.587 -30.360 1.00 2.19 N ATOM 0 H LYS A 12 58.518 45.844 -29.486 1.00 0.50 H new ATOM 0 HA LYS A 12 57.738 43.686 -27.497 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.665 43.615 -30.265 1.00 0.74 H new ATOM 0 HB3 LYS A 12 59.349 43.210 -30.001 1.00 0.74 H new ATOM 0 HG2 LYS A 12 58.141 41.627 -28.086 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.897 41.645 -29.321 1.00 1.20 H new ATOM 0 HD2 LYS A 12 58.402 40.773 -31.003 1.00 1.50 H new ATOM 0 HD3 LYS A 12 59.816 41.102 -30.021 1.00 1.50 H new ATOM 0 HE2 LYS A 12 59.642 38.985 -29.138 1.00 1.68 H new ATOM 0 HE3 LYS A 12 58.116 39.440 -28.405 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 57.811 37.617 -30.003 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 56.994 39.007 -30.537 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 58.472 38.566 -31.247 1.00 2.19 H new ATOM 221 N THR A 13 60.244 43.134 -27.047 1.00 0.64 N ATOM 222 CA THR A 13 61.608 43.179 -26.448 1.00 0.62 C ATOM 223 C THR A 13 62.585 42.384 -27.307 1.00 0.66 C ATOM 224 O THR A 13 62.244 41.365 -27.873 1.00 0.75 O ATOM 225 CB THR A 13 61.467 42.550 -25.061 1.00 0.70 C ATOM 226 OG1 THR A 13 60.522 43.294 -24.301 1.00 1.06 O ATOM 227 CG2 THR A 13 62.823 42.568 -24.350 1.00 1.08 C ATOM 0 H THR A 13 59.737 42.259 -26.914 1.00 0.64 H new ATOM 0 HA THR A 13 61.995 44.196 -26.386 1.00 0.62 H new ATOM 0 HB THR A 13 61.125 41.520 -25.161 1.00 0.70 H new ATOM 0 HG1 THR A 13 60.428 42.892 -23.412 1.00 1.06 H new ATOM 0 HG21 THR A 13 62.722 42.120 -23.362 1.00 1.08 H new ATOM 0 HG22 THR A 13 63.547 42.000 -24.934 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.167 43.597 -24.248 1.00 1.08 H new ATOM 235 N CYS A 14 63.799 42.844 -27.414 1.00 0.65 N ATOM 236 CA CYS A 14 64.791 42.106 -28.246 1.00 0.76 C ATOM 237 C CYS A 14 65.680 41.244 -27.346 1.00 0.87 C ATOM 238 O CYS A 14 66.458 41.762 -26.567 1.00 0.99 O ATOM 239 CB CYS A 14 65.618 43.179 -28.968 1.00 0.75 C ATOM 240 SG CYS A 14 64.565 44.582 -29.448 1.00 1.34 S ATOM 0 H CYS A 14 64.147 43.692 -26.966 1.00 0.65 H new ATOM 0 HA CYS A 14 64.311 41.438 -28.961 1.00 0.76 H new ATOM 0 HB2 CYS A 14 66.421 43.526 -28.318 1.00 0.75 H new ATOM 0 HB3 CYS A 14 66.087 42.750 -29.853 1.00 0.75 H new ATOM 245 N PRO A 15 65.532 39.946 -27.468 1.00 1.06 N ATOM 246 CA PRO A 15 66.322 39.011 -26.642 1.00 1.31 C ATOM 247 C PRO A 15 67.825 39.250 -26.809 1.00 1.16 C ATOM 248 O PRO A 15 68.259 40.028 -27.636 1.00 1.40 O ATOM 249 CB PRO A 15 65.901 37.647 -27.190 1.00 1.54 C ATOM 250 CG PRO A 15 64.873 37.850 -28.314 1.00 1.54 C ATOM 251 CD PRO A 15 64.576 39.346 -28.435 1.00 1.24 C ATOM 0 HA PRO A 15 66.143 39.118 -25.572 1.00 1.31 H new ATOM 0 HB2 PRO A 15 66.770 37.110 -27.569 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.472 37.038 -26.394 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.261 37.463 -29.256 1.00 1.54 H new ATOM 0 HG3 PRO A 15 63.959 37.299 -28.095 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.742 39.711 -29.448 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.542 39.576 -28.178 1.00 1.24 H new ATOM 259 N ALA A 16 68.617 38.590 -26.009 1.00 1.32 N ATOM 260 CA ALA A 16 70.094 38.767 -26.087 1.00 1.21 C ATOM 261 C ALA A 16 70.598 38.574 -27.519 1.00 0.92 C ATOM 262 O ALA A 16 70.178 37.676 -28.221 1.00 1.02 O ATOM 263 CB ALA A 16 70.665 37.678 -25.181 1.00 1.58 C ATOM 0 H ALA A 16 68.301 37.930 -25.299 1.00 1.32 H new ATOM 0 HA ALA A 16 70.396 39.769 -25.783 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.753 37.738 -25.182 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.294 37.818 -24.166 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.355 36.700 -25.548 1.00 1.58 H new ATOM 269 N GLY A 17 71.512 39.401 -27.945 1.00 0.84 N ATOM 270 CA GLY A 17 72.067 39.259 -29.319 1.00 0.75 C ATOM 271 C GLY A 17 71.191 40.002 -30.328 1.00 0.63 C ATOM 272 O GLY A 17 71.583 40.220 -31.456 1.00 0.83 O ATOM 0 H GLY A 17 71.899 40.171 -27.399 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.083 39.653 -29.350 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.126 38.204 -29.587 1.00 0.75 H new ATOM 276 N LYS A 18 70.008 40.387 -29.946 1.00 0.60 N ATOM 277 CA LYS A 18 69.123 41.103 -30.909 1.00 0.58 C ATOM 278 C LYS A 18 68.960 42.574 -30.505 1.00 0.59 C ATOM 279 O LYS A 18 68.385 42.889 -29.483 1.00 0.88 O ATOM 280 CB LYS A 18 67.784 40.365 -30.829 1.00 0.71 C ATOM 281 CG LYS A 18 67.158 40.281 -32.223 1.00 1.60 C ATOM 282 CD LYS A 18 66.030 39.241 -32.226 1.00 2.39 C ATOM 283 CE LYS A 18 66.516 37.948 -31.568 1.00 2.98 C ATOM 284 NZ LYS A 18 65.479 36.930 -31.894 1.00 3.59 N ATOM 0 H LYS A 18 69.615 40.240 -29.016 1.00 0.60 H new ATOM 0 HA LYS A 18 69.530 41.107 -31.920 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.933 39.363 -30.426 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.111 40.886 -30.148 1.00 0.71 H new ATOM 0 HG2 LYS A 18 66.767 41.256 -32.515 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.917 40.009 -32.957 1.00 1.60 H new ATOM 0 HD2 LYS A 18 65.164 39.629 -31.690 1.00 2.39 H new ATOM 0 HD3 LYS A 18 65.710 39.041 -33.249 1.00 2.39 H new ATOM 0 HE2 LYS A 18 67.492 37.653 -31.953 1.00 2.98 H new ATOM 0 HE3 LYS A 18 66.622 38.071 -30.490 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.746 36.016 -31.475 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 64.562 37.233 -31.509 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 65.405 36.829 -32.926 1.00 3.59 H new ATOM 298 N ASN A 19 69.444 43.477 -31.317 1.00 0.40 N ATOM 299 CA ASN A 19 69.300 44.920 -31.008 1.00 0.50 C ATOM 300 C ASN A 19 68.677 45.607 -32.217 1.00 0.47 C ATOM 301 O ASN A 19 68.500 46.809 -32.248 1.00 0.60 O ATOM 302 CB ASN A 19 70.722 45.429 -30.764 1.00 0.65 C ATOM 303 CG ASN A 19 70.757 46.947 -30.917 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.110 47.460 -31.960 1.00 1.93 O ATOM 305 ND2 ASN A 19 70.400 47.692 -29.915 1.00 1.75 N ATOM 0 H ASN A 19 69.936 43.270 -32.186 1.00 0.40 H new ATOM 0 HA ASN A 19 68.666 45.115 -30.143 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.053 45.147 -29.765 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.411 44.966 -31.471 1.00 0.65 H new ATOM 0 HD21 ASN A 19 70.416 48.708 -30.004 1.00 1.75 H new ATOM 0 HD22 ASN A 19 70.104 47.261 -29.039 1.00 1.75 H new ATOM 312 N LEU A 20 68.347 44.839 -33.219 1.00 0.40 N ATOM 313 CA LEU A 20 67.742 45.416 -34.434 1.00 0.48 C ATOM 314 C LEU A 20 66.222 45.315 -34.365 1.00 0.38 C ATOM 315 O LEU A 20 65.669 44.569 -33.580 1.00 0.56 O ATOM 316 CB LEU A 20 68.280 44.557 -35.583 1.00 0.64 C ATOM 317 CG LEU A 20 69.039 45.437 -36.559 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.448 44.902 -36.750 1.00 1.13 C ATOM 319 CD2 LEU A 20 68.320 45.464 -37.902 1.00 1.34 C ATOM 0 H LEU A 20 68.475 43.827 -33.240 1.00 0.40 H new ATOM 0 HA LEU A 20 67.986 46.471 -34.557 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.935 43.778 -35.193 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.457 44.056 -36.093 1.00 0.64 H new ATOM 0 HG LEU A 20 69.088 46.449 -36.156 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.987 45.539 -37.452 1.00 1.13 H new ATOM 0 HD12 LEU A 20 70.968 44.896 -35.792 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.401 43.887 -37.143 1.00 1.13 H new ATOM 0 HD21 LEU A 20 68.871 46.098 -38.597 1.00 1.34 H new ATOM 0 HD22 LEU A 20 68.260 44.452 -38.303 1.00 1.34 H new ATOM 0 HD23 LEU A 20 67.314 45.861 -37.768 1.00 1.34 H new ATOM 331 N CYS A 21 65.551 46.034 -35.206 1.00 0.29 N ATOM 332 CA CYS A 21 64.061 45.967 -35.235 1.00 0.31 C ATOM 333 C CYS A 21 63.646 45.655 -36.670 1.00 0.32 C ATOM 334 O CYS A 21 63.824 46.461 -37.561 1.00 0.49 O ATOM 335 CB CYS A 21 63.556 47.350 -34.808 1.00 0.44 C ATOM 336 SG CYS A 21 64.322 47.854 -33.242 1.00 0.57 S ATOM 0 H CYS A 21 65.967 46.673 -35.883 1.00 0.29 H new ATOM 0 HA CYS A 21 63.652 45.203 -34.574 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.784 48.082 -35.583 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.472 47.329 -34.699 1.00 0.44 H new ATOM 341 N TYR A 22 63.142 44.479 -36.923 1.00 0.30 N ATOM 342 CA TYR A 22 62.784 44.130 -38.324 1.00 0.31 C ATOM 343 C TYR A 22 61.291 44.334 -38.613 1.00 0.31 C ATOM 344 O TYR A 22 60.465 44.405 -37.725 1.00 0.41 O ATOM 345 CB TYR A 22 63.203 42.668 -38.478 1.00 0.36 C ATOM 346 CG TYR A 22 62.045 41.743 -38.198 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.629 41.486 -36.883 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.392 41.139 -39.269 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.552 40.620 -36.655 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.318 40.277 -39.044 1.00 0.63 C ATOM 351 CZ TYR A 22 59.895 40.015 -37.738 1.00 0.55 C ATOM 352 OH TYR A 22 58.832 39.164 -37.518 1.00 0.66 O ATOM 0 H TYR A 22 62.965 43.753 -36.229 1.00 0.30 H new ATOM 0 HA TYR A 22 63.288 44.777 -39.042 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.574 42.497 -39.488 1.00 0.36 H new ATOM 0 HB3 TYR A 22 64.023 42.447 -37.795 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.136 41.953 -36.052 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.718 41.339 -40.279 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.227 40.418 -35.645 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.814 39.813 -39.879 1.00 0.63 H new ATOM 0 HH TYR A 22 58.494 38.834 -38.377 1.00 0.66 H new ATOM 362 N LYS A 23 60.962 44.423 -39.870 1.00 0.39 N ATOM 363 CA LYS A 23 59.547 44.622 -40.288 1.00 0.44 C ATOM 364 C LYS A 23 59.321 43.830 -41.590 1.00 0.45 C ATOM 365 O LYS A 23 59.915 44.123 -42.609 1.00 0.54 O ATOM 366 CB LYS A 23 59.455 46.134 -40.507 1.00 0.56 C ATOM 367 CG LYS A 23 58.075 46.517 -41.032 1.00 1.11 C ATOM 368 CD LYS A 23 57.820 48.010 -40.782 1.00 1.49 C ATOM 369 CE LYS A 23 58.137 48.360 -39.326 1.00 1.72 C ATOM 370 NZ LYS A 23 59.461 49.047 -39.360 1.00 2.18 N ATOM 0 H LYS A 23 61.627 44.365 -40.641 1.00 0.39 H new ATOM 0 HA LYS A 23 58.797 44.279 -39.575 1.00 0.44 H new ATOM 0 HB2 LYS A 23 59.651 46.655 -39.570 1.00 0.56 H new ATOM 0 HB3 LYS A 23 60.221 46.452 -41.215 1.00 0.56 H new ATOM 0 HG2 LYS A 23 58.009 46.301 -42.098 1.00 1.11 H new ATOM 0 HG3 LYS A 23 57.309 45.920 -40.537 1.00 1.11 H new ATOM 0 HD2 LYS A 23 58.437 48.610 -41.451 1.00 1.49 H new ATOM 0 HD3 LYS A 23 56.781 48.252 -41.005 1.00 1.49 H new ATOM 0 HE2 LYS A 23 57.370 49.008 -38.902 1.00 1.72 H new ATOM 0 HE3 LYS A 23 58.176 47.464 -38.707 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 60.185 48.425 -38.947 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.713 49.266 -40.345 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 59.409 49.929 -38.811 1.00 2.18 H new ATOM 384 N MET A 24 58.518 42.792 -41.553 1.00 0.47 N ATOM 385 CA MET A 24 58.330 41.949 -42.787 1.00 0.53 C ATOM 386 C MET A 24 56.981 42.162 -43.471 1.00 0.53 C ATOM 387 O MET A 24 55.974 42.357 -42.827 1.00 0.59 O ATOM 388 CB MET A 24 58.415 40.511 -42.279 1.00 0.63 C ATOM 389 CG MET A 24 58.049 39.538 -43.406 1.00 0.99 C ATOM 390 SD MET A 24 57.593 37.943 -42.691 1.00 1.69 S ATOM 391 CE MET A 24 56.137 38.532 -41.798 1.00 2.37 C ATOM 0 H MET A 24 57.989 42.491 -40.734 1.00 0.47 H new ATOM 0 HA MET A 24 59.078 42.207 -43.537 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.422 40.302 -41.919 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.740 40.374 -41.434 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.221 39.937 -43.992 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.892 39.417 -44.086 1.00 0.99 H new ATOM 0 HE1 MET A 24 55.364 37.764 -41.815 1.00 2.37 H new ATOM 0 HE2 MET A 24 56.408 38.751 -40.765 1.00 2.37 H new ATOM 0 HE3 MET A 24 55.760 39.437 -42.274 1.00 2.37 H new ATOM 401 N PHE A 25 56.968 42.077 -44.787 1.00 0.53 N ATOM 402 CA PHE A 25 55.688 42.204 -45.556 1.00 0.58 C ATOM 403 C PHE A 25 55.746 41.394 -46.838 1.00 0.50 C ATOM 404 O PHE A 25 56.706 40.708 -47.122 1.00 0.49 O ATOM 405 CB PHE A 25 55.496 43.676 -45.913 1.00 0.70 C ATOM 406 CG PHE A 25 56.815 44.407 -45.929 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.420 44.791 -44.729 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.428 44.709 -47.152 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.640 45.476 -44.749 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.645 45.393 -47.173 1.00 0.86 C ATOM 411 CZ PHE A 25 59.251 45.778 -45.972 1.00 0.70 C ATOM 0 H PHE A 25 57.797 41.924 -45.361 1.00 0.53 H new ATOM 0 HA PHE A 25 54.863 41.832 -44.948 1.00 0.58 H new ATOM 0 HB2 PHE A 25 55.020 43.757 -46.890 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.826 44.144 -45.192 1.00 0.70 H new ATOM 0 HD1 PHE A 25 56.946 44.559 -43.787 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.959 44.413 -48.079 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.110 45.771 -43.822 1.00 0.83 H new ATOM 0 HE2 PHE A 25 59.118 45.625 -48.116 1.00 0.86 H new ATOM 0 HZ PHE A 25 60.191 46.309 -45.988 1.00 0.70 H new ATOM 421 N MET A 26 54.729 41.518 -47.639 1.00 0.56 N ATOM 422 CA MET A 26 54.714 40.812 -48.940 1.00 0.61 C ATOM 423 C MET A 26 55.292 41.757 -49.996 1.00 0.69 C ATOM 424 O MET A 26 54.645 42.695 -50.408 1.00 1.30 O ATOM 425 CB MET A 26 53.240 40.514 -49.224 1.00 0.72 C ATOM 426 CG MET A 26 52.756 39.401 -48.290 1.00 0.91 C ATOM 427 SD MET A 26 51.099 39.803 -47.678 1.00 1.46 S ATOM 428 CE MET A 26 51.451 39.607 -45.914 1.00 1.96 C ATOM 0 H MET A 26 53.903 42.083 -47.444 1.00 0.56 H new ATOM 0 HA MET A 26 55.301 39.894 -48.943 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.641 41.413 -49.077 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.112 40.212 -50.264 1.00 0.72 H new ATOM 0 HG2 MET A 26 52.738 38.449 -48.820 1.00 0.91 H new ATOM 0 HG3 MET A 26 53.446 39.287 -47.454 1.00 0.91 H new ATOM 0 HE1 MET A 26 50.544 39.794 -45.339 1.00 1.96 H new ATOM 0 HE2 MET A 26 51.799 38.592 -45.723 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.223 40.317 -45.616 1.00 1.96 H new ATOM 438 N VAL A 27 56.516 41.519 -50.398 1.00 0.76 N ATOM 439 CA VAL A 27 57.204 42.386 -51.412 1.00 0.80 C ATOM 440 C VAL A 27 56.208 43.156 -52.288 1.00 0.91 C ATOM 441 O VAL A 27 56.380 44.333 -52.546 1.00 1.08 O ATOM 442 CB VAL A 27 58.018 41.398 -52.243 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.440 42.042 -53.565 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.261 40.996 -51.447 1.00 1.06 C ATOM 0 H VAL A 27 57.083 40.742 -50.059 1.00 0.76 H new ATOM 0 HA VAL A 27 57.816 43.156 -50.943 1.00 0.80 H new ATOM 0 HB VAL A 27 57.412 40.519 -52.462 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.020 41.327 -54.149 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.553 42.335 -54.127 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.048 42.924 -53.362 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.853 40.290 -52.029 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.859 41.882 -51.234 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.958 40.530 -50.510 1.00 1.06 H new ATOM 454 N ALA A 28 55.168 42.513 -52.736 1.00 0.94 N ATOM 455 CA ALA A 28 54.163 43.218 -53.580 1.00 1.10 C ATOM 456 C ALA A 28 53.834 44.586 -52.973 1.00 1.12 C ATOM 457 O ALA A 28 53.788 45.587 -53.660 1.00 1.33 O ATOM 458 CB ALA A 28 52.938 42.308 -53.560 1.00 1.15 C ATOM 0 H ALA A 28 54.969 41.529 -52.555 1.00 0.94 H new ATOM 0 HA ALA A 28 54.519 43.402 -54.594 1.00 1.10 H new ATOM 0 HB1 ALA A 28 52.144 42.753 -54.160 1.00 1.15 H new ATOM 0 HB2 ALA A 28 53.202 41.334 -53.972 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.592 42.186 -52.534 1.00 1.15 H new ATOM 464 N THR A 29 53.618 44.639 -51.687 1.00 1.00 N ATOM 465 CA THR A 29 53.308 45.947 -51.037 1.00 1.09 C ATOM 466 C THR A 29 54.334 46.222 -49.924 1.00 0.90 C ATOM 467 O THR A 29 54.112 45.889 -48.776 1.00 0.93 O ATOM 468 CB THR A 29 51.893 45.798 -50.474 1.00 1.33 C ATOM 469 OG1 THR A 29 51.058 45.191 -51.450 1.00 1.93 O ATOM 470 CG2 THR A 29 51.353 47.182 -50.128 1.00 1.85 C ATOM 0 H THR A 29 53.642 43.836 -51.058 1.00 1.00 H new ATOM 0 HA THR A 29 53.361 46.787 -51.730 1.00 1.09 H new ATOM 0 HB THR A 29 51.911 45.175 -49.580 1.00 1.33 H new ATOM 0 HG1 THR A 29 50.152 45.093 -51.090 1.00 1.93 H new ATOM 0 HG21 THR A 29 50.344 47.089 -49.726 1.00 1.85 H new ATOM 0 HG22 THR A 29 51.999 47.649 -49.384 1.00 1.85 H new ATOM 0 HG23 THR A 29 51.330 47.799 -51.027 1.00 1.85 H new ATOM 478 N PRO A 30 55.447 46.799 -50.321 1.00 0.99 N ATOM 479 CA PRO A 30 56.559 47.104 -49.379 1.00 1.03 C ATOM 480 C PRO A 30 56.187 48.187 -48.358 1.00 0.85 C ATOM 481 O PRO A 30 56.585 48.127 -47.210 1.00 0.90 O ATOM 482 CB PRO A 30 57.655 47.619 -50.321 1.00 1.44 C ATOM 483 CG PRO A 30 57.123 47.592 -51.767 1.00 1.67 C ATOM 484 CD PRO A 30 55.651 47.174 -51.741 1.00 1.36 C ATOM 0 HA PRO A 30 56.843 46.240 -48.779 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.944 48.633 -50.044 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.547 46.999 -50.236 1.00 1.44 H new ATOM 0 HG2 PRO A 30 57.229 48.575 -52.227 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.703 46.894 -52.370 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.993 47.988 -52.044 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.455 46.339 -52.413 1.00 1.36 H new ATOM 492 N LYS A 31 55.453 49.186 -48.763 1.00 0.96 N ATOM 493 CA LYS A 31 55.090 50.280 -47.813 1.00 1.02 C ATOM 494 C LYS A 31 53.923 49.873 -46.901 1.00 0.94 C ATOM 495 O LYS A 31 53.264 50.709 -46.317 1.00 1.09 O ATOM 496 CB LYS A 31 54.706 51.454 -48.714 1.00 1.39 C ATOM 497 CG LYS A 31 55.848 51.716 -49.700 1.00 1.90 C ATOM 498 CD LYS A 31 55.580 53.006 -50.481 1.00 2.38 C ATOM 499 CE LYS A 31 55.608 54.206 -49.528 1.00 2.81 C ATOM 500 NZ LYS A 31 54.232 54.775 -49.583 1.00 3.08 N ATOM 0 H LYS A 31 55.088 49.294 -49.709 1.00 0.96 H new ATOM 0 HA LYS A 31 55.910 50.525 -47.138 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.786 51.230 -49.254 1.00 1.39 H new ATOM 0 HB3 LYS A 31 54.515 52.343 -48.114 1.00 1.39 H new ATOM 0 HG2 LYS A 31 56.793 51.796 -49.162 1.00 1.90 H new ATOM 0 HG3 LYS A 31 55.944 50.877 -50.389 1.00 1.90 H new ATOM 0 HD2 LYS A 31 56.331 53.132 -51.261 1.00 2.38 H new ATOM 0 HD3 LYS A 31 54.611 52.947 -50.977 1.00 2.38 H new ATOM 0 HE2 LYS A 31 55.868 53.899 -48.515 1.00 2.81 H new ATOM 0 HE3 LYS A 31 56.351 54.940 -49.839 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 54.173 55.602 -48.955 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 54.015 55.065 -50.558 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 53.547 54.056 -49.274 1.00 3.08 H new ATOM 514 N VAL A 32 53.682 48.599 -46.751 1.00 0.83 N ATOM 515 CA VAL A 32 52.583 48.146 -45.853 1.00 0.87 C ATOM 516 C VAL A 32 53.012 46.863 -45.140 1.00 0.69 C ATOM 517 O VAL A 32 52.484 45.798 -45.397 1.00 0.70 O ATOM 518 CB VAL A 32 51.380 47.904 -46.756 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.122 47.804 -45.891 1.00 1.65 C ATOM 520 CG2 VAL A 32 51.240 49.081 -47.723 1.00 1.72 C ATOM 0 H VAL A 32 54.200 47.851 -47.213 1.00 0.83 H new ATOM 0 HA VAL A 32 52.342 48.879 -45.083 1.00 0.87 H new ATOM 0 HB VAL A 32 51.513 46.980 -47.319 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.255 47.631 -46.528 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.228 46.977 -45.189 1.00 1.65 H new ATOM 0 HG13 VAL A 32 49.986 48.733 -45.338 1.00 1.65 H new ATOM 0 HG21 VAL A 32 50.381 48.917 -48.374 1.00 1.72 H new ATOM 0 HG22 VAL A 32 51.096 50.002 -47.157 1.00 1.72 H new ATOM 0 HG23 VAL A 32 52.143 49.164 -48.328 1.00 1.72 H new ATOM 530 N PRO A 33 53.974 47.018 -44.268 1.00 0.67 N ATOM 531 CA PRO A 33 54.511 45.875 -43.499 1.00 0.65 C ATOM 532 C PRO A 33 53.408 45.158 -42.722 1.00 0.67 C ATOM 533 O PRO A 33 52.334 45.688 -42.518 1.00 0.79 O ATOM 534 CB PRO A 33 55.523 46.539 -42.575 1.00 0.82 C ATOM 535 CG PRO A 33 55.542 48.051 -42.862 1.00 0.91 C ATOM 536 CD PRO A 33 54.570 48.346 -44.002 1.00 0.84 C ATOM 0 HA PRO A 33 54.952 45.098 -44.124 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.259 46.356 -41.533 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.514 46.113 -42.732 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.258 48.608 -41.970 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.548 48.372 -43.131 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.816 49.078 -43.713 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.082 48.744 -44.878 1.00 0.84 H new ATOM 544 N VAL A 34 53.662 43.948 -42.292 1.00 0.64 N ATOM 545 CA VAL A 34 52.624 43.199 -41.537 1.00 0.72 C ATOM 546 C VAL A 34 53.096 42.879 -40.118 1.00 0.63 C ATOM 547 O VAL A 34 52.320 42.938 -39.193 1.00 0.79 O ATOM 548 CB VAL A 34 52.361 41.906 -42.314 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.362 42.169 -43.441 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.660 41.400 -42.912 1.00 1.19 C ATOM 0 H VAL A 34 54.542 43.451 -42.433 1.00 0.64 H new ATOM 0 HA VAL A 34 51.717 43.796 -41.442 1.00 0.72 H new ATOM 0 HB VAL A 34 51.952 41.160 -41.633 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.180 41.245 -43.989 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.425 42.531 -43.019 1.00 1.32 H new ATOM 0 HG13 VAL A 34 51.768 42.919 -44.120 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.472 40.480 -43.465 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.067 42.152 -43.588 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.376 41.204 -42.114 1.00 1.19 H new ATOM 560 N LYS A 35 54.349 42.533 -39.914 1.00 0.46 N ATOM 561 CA LYS A 35 54.781 42.219 -38.512 1.00 0.45 C ATOM 562 C LYS A 35 55.984 43.063 -38.081 1.00 0.39 C ATOM 563 O LYS A 35 56.805 43.470 -38.888 1.00 0.51 O ATOM 564 CB LYS A 35 55.134 40.734 -38.491 1.00 0.59 C ATOM 565 CG LYS A 35 54.290 40.054 -37.404 1.00 0.90 C ATOM 566 CD LYS A 35 54.866 38.676 -37.063 1.00 1.38 C ATOM 567 CE LYS A 35 53.739 37.637 -37.087 1.00 1.90 C ATOM 568 NZ LYS A 35 52.793 38.060 -36.012 1.00 2.50 N ATOM 0 H LYS A 35 55.069 42.456 -40.632 1.00 0.46 H new ATOM 0 HA LYS A 35 53.981 42.452 -37.810 1.00 0.45 H new ATOM 0 HB2 LYS A 35 54.936 40.283 -39.463 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.196 40.599 -38.287 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.267 40.677 -36.510 1.00 0.90 H new ATOM 0 HG3 LYS A 35 53.260 39.950 -37.746 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.641 38.405 -37.780 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.335 38.698 -36.079 1.00 1.38 H new ATOM 0 HE2 LYS A 35 53.246 37.614 -38.059 1.00 1.90 H new ATOM 0 HE3 LYS A 35 54.124 36.634 -36.901 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 52.306 37.224 -35.630 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 53.321 38.531 -35.250 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 52.092 38.719 -36.406 1.00 2.50 H new ATOM 582 N ARG A 36 56.084 43.321 -36.801 1.00 0.34 N ATOM 583 CA ARG A 36 57.215 44.139 -36.271 1.00 0.33 C ATOM 584 C ARG A 36 57.900 43.426 -35.098 1.00 0.36 C ATOM 585 O ARG A 36 57.269 43.093 -34.114 1.00 0.42 O ATOM 586 CB ARG A 36 56.573 45.428 -35.781 1.00 0.37 C ATOM 587 CG ARG A 36 56.081 46.246 -36.975 1.00 0.54 C ATOM 588 CD ARG A 36 55.788 47.674 -36.512 1.00 0.83 C ATOM 589 NE ARG A 36 55.128 48.339 -37.667 1.00 0.89 N ATOM 590 CZ ARG A 36 54.391 49.403 -37.475 1.00 1.07 C ATOM 591 NH1 ARG A 36 54.317 49.943 -36.288 1.00 1.27 N ATOM 592 NH2 ARG A 36 53.728 49.925 -38.469 1.00 1.76 N ATOM 0 H ARG A 36 55.423 42.996 -36.095 1.00 0.34 H new ATOM 0 HA ARG A 36 57.977 44.311 -37.031 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.740 45.201 -35.116 1.00 0.37 H new ATOM 0 HB3 ARG A 36 57.293 46.007 -35.203 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.834 46.253 -37.763 1.00 0.54 H new ATOM 0 HG3 ARG A 36 55.183 45.795 -37.396 1.00 0.54 H new ATOM 0 HD2 ARG A 36 55.141 47.677 -35.635 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.705 48.192 -36.233 1.00 0.83 H new ATOM 0 HE ARG A 36 55.250 47.966 -38.608 1.00 0.89 H new ATOM 0 HH11 ARG A 36 54.834 49.535 -35.509 1.00 1.27 H new ATOM 0 HH12 ARG A 36 53.742 50.772 -36.140 1.00 1.27 H new ATOM 0 HH21 ARG A 36 53.784 49.504 -39.396 1.00 1.76 H new ATOM 0 HH22 ARG A 36 53.153 50.754 -38.319 1.00 1.76 H new ATOM 606 N GLY A 37 59.182 43.185 -35.186 1.00 0.34 N ATOM 607 CA GLY A 37 59.876 42.492 -34.058 1.00 0.39 C ATOM 608 C GLY A 37 61.342 42.931 -33.957 1.00 0.38 C ATOM 609 O GLY A 37 61.782 43.842 -34.630 1.00 0.44 O ATOM 0 H GLY A 37 59.773 43.434 -35.979 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.362 42.711 -33.122 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.826 41.413 -34.204 1.00 0.39 H new ATOM 613 N CYS A 38 62.098 42.264 -33.122 1.00 0.40 N ATOM 614 CA CYS A 38 63.547 42.593 -32.960 1.00 0.41 C ATOM 615 C CYS A 38 64.385 41.569 -33.724 1.00 0.39 C ATOM 616 O CYS A 38 64.182 40.382 -33.578 1.00 0.42 O ATOM 617 CB CYS A 38 63.833 42.443 -31.457 1.00 0.52 C ATOM 618 SG CYS A 38 63.042 43.762 -30.506 1.00 1.14 S ATOM 0 H CYS A 38 61.768 41.495 -32.538 1.00 0.40 H new ATOM 0 HA CYS A 38 63.784 43.590 -33.333 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.472 41.475 -31.110 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.909 42.462 -31.285 1.00 0.52 H new ATOM 623 N ILE A 39 65.323 41.988 -34.533 1.00 0.38 N ATOM 624 CA ILE A 39 66.144 40.985 -35.270 1.00 0.39 C ATOM 625 C ILE A 39 67.628 41.138 -34.903 1.00 0.43 C ATOM 626 O ILE A 39 68.058 42.175 -34.449 1.00 0.48 O ATOM 627 CB ILE A 39 65.899 41.305 -36.753 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.775 40.404 -37.278 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.176 41.071 -37.571 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.823 40.346 -38.810 1.00 0.42 C ATOM 0 H ILE A 39 65.553 42.965 -34.713 1.00 0.38 H new ATOM 0 HA ILE A 39 65.876 39.957 -35.027 1.00 0.39 H new ATOM 0 HB ILE A 39 65.613 42.352 -36.852 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.878 39.401 -36.864 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.808 40.786 -36.950 1.00 0.39 H new ATOM 0 HG21 ILE A 39 66.984 41.302 -38.619 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.971 41.716 -37.197 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.481 40.028 -37.480 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.021 39.704 -39.175 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.698 41.350 -39.216 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.784 39.943 -39.129 1.00 0.42 H new ATOM 642 N ASP A 40 68.413 40.116 -35.118 1.00 0.48 N ATOM 643 CA ASP A 40 69.873 40.213 -34.818 1.00 0.56 C ATOM 644 C ASP A 40 70.644 40.095 -36.139 1.00 0.58 C ATOM 645 O ASP A 40 71.789 40.488 -36.251 1.00 0.67 O ATOM 646 CB ASP A 40 70.190 39.053 -33.861 1.00 0.67 C ATOM 647 CG ASP A 40 70.537 37.783 -34.644 1.00 1.31 C ATOM 648 OD1 ASP A 40 71.618 37.735 -35.206 1.00 1.94 O ATOM 649 OD2 ASP A 40 69.718 36.879 -34.660 1.00 2.02 O ATOM 0 H ASP A 40 68.107 39.217 -35.489 1.00 0.48 H new ATOM 0 HA ASP A 40 70.156 41.158 -34.355 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.024 39.326 -33.214 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.333 38.864 -33.214 1.00 0.67 H new ATOM 654 N VAL A 41 69.991 39.574 -37.143 1.00 0.56 N ATOM 655 CA VAL A 41 70.613 39.436 -38.487 1.00 0.63 C ATOM 656 C VAL A 41 69.505 39.583 -39.534 1.00 0.58 C ATOM 657 O VAL A 41 68.773 38.654 -39.817 1.00 0.68 O ATOM 658 CB VAL A 41 71.264 38.040 -38.502 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.993 37.315 -39.829 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.773 38.205 -38.326 1.00 1.57 C ATOM 0 H VAL A 41 69.032 39.232 -37.084 1.00 0.56 H new ATOM 0 HA VAL A 41 71.369 40.190 -38.708 1.00 0.63 H new ATOM 0 HB VAL A 41 70.839 37.446 -37.693 1.00 0.76 H new ATOM 0 HG11 VAL A 41 71.465 36.333 -39.810 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.918 37.199 -39.967 1.00 1.54 H new ATOM 0 HG13 VAL A 41 71.404 37.899 -40.653 1.00 1.54 H new ATOM 0 HG21 VAL A 41 73.250 37.225 -38.334 1.00 1.57 H new ATOM 0 HG22 VAL A 41 73.171 38.809 -39.142 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.977 38.699 -37.376 1.00 1.57 H new ATOM 670 N CYS A 42 69.369 40.755 -40.091 1.00 0.72 N ATOM 671 CA CYS A 42 68.298 40.979 -41.098 1.00 0.76 C ATOM 672 C CYS A 42 68.498 40.044 -42.283 1.00 0.76 C ATOM 673 O CYS A 42 69.455 40.176 -43.020 1.00 0.90 O ATOM 674 CB CYS A 42 68.451 42.437 -41.536 1.00 1.00 C ATOM 675 SG CYS A 42 66.884 43.030 -42.227 1.00 1.13 S ATOM 0 H CYS A 42 69.954 41.566 -39.891 1.00 0.72 H new ATOM 0 HA CYS A 42 67.305 40.783 -40.694 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.742 43.054 -40.686 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.244 42.523 -42.279 1.00 1.00 H new ATOM 680 N PRO A 43 67.591 39.114 -42.432 1.00 0.70 N ATOM 681 CA PRO A 43 67.686 38.152 -43.537 1.00 0.80 C ATOM 682 C PRO A 43 67.383 38.843 -44.862 1.00 0.89 C ATOM 683 O PRO A 43 66.929 39.970 -44.898 1.00 0.97 O ATOM 684 CB PRO A 43 66.598 37.139 -43.189 1.00 0.80 C ATOM 685 CG PRO A 43 65.921 37.574 -41.874 1.00 0.72 C ATOM 686 CD PRO A 43 66.433 38.969 -41.516 1.00 0.65 C ATOM 0 HA PRO A 43 68.672 37.702 -43.650 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.863 37.083 -43.992 1.00 0.80 H new ATOM 0 HB3 PRO A 43 67.029 36.144 -43.081 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.837 37.584 -41.989 1.00 0.72 H new ATOM 0 HG3 PRO A 43 66.150 36.868 -41.076 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.679 39.737 -41.686 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.729 39.039 -40.469 1.00 0.65 H new ATOM 694 N LYS A 44 67.626 38.177 -45.949 1.00 1.04 N ATOM 695 CA LYS A 44 67.350 38.793 -47.275 1.00 1.19 C ATOM 696 C LYS A 44 65.931 38.441 -47.739 1.00 1.07 C ATOM 697 O LYS A 44 65.282 37.578 -47.182 1.00 1.52 O ATOM 698 CB LYS A 44 68.415 38.222 -48.219 1.00 1.53 C ATOM 699 CG LYS A 44 68.297 36.697 -48.306 1.00 2.08 C ATOM 700 CD LYS A 44 69.677 36.099 -48.594 1.00 2.77 C ATOM 701 CE LYS A 44 70.287 35.562 -47.296 1.00 3.61 C ATOM 702 NZ LYS A 44 69.954 34.110 -47.293 1.00 4.19 N ATOM 0 H LYS A 44 68.005 37.230 -45.980 1.00 1.04 H new ATOM 0 HA LYS A 44 67.398 39.882 -47.246 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.301 38.658 -49.211 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.408 38.496 -47.863 1.00 1.53 H new ATOM 0 HG2 LYS A 44 67.902 36.297 -47.372 1.00 2.08 H new ATOM 0 HG3 LYS A 44 67.596 36.419 -49.093 1.00 2.08 H new ATOM 0 HD2 LYS A 44 69.591 35.296 -49.326 1.00 2.77 H new ATOM 0 HD3 LYS A 44 70.329 36.857 -49.028 1.00 2.77 H new ATOM 0 HE2 LYS A 44 71.365 35.721 -47.270 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.869 36.066 -46.424 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 70.338 33.668 -46.434 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.921 33.991 -47.312 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 70.370 33.657 -48.131 1.00 4.19 H new ATOM 716 N SER A 45 65.438 39.124 -48.739 1.00 1.01 N ATOM 717 CA SER A 45 64.051 38.857 -49.228 1.00 0.93 C ATOM 718 C SER A 45 63.980 37.545 -50.016 1.00 0.94 C ATOM 719 O SER A 45 64.982 36.918 -50.295 1.00 1.20 O ATOM 720 CB SER A 45 63.726 40.041 -50.136 1.00 1.04 C ATOM 721 OG SER A 45 63.568 41.214 -49.349 1.00 1.64 O ATOM 0 H SER A 45 65.938 39.858 -49.241 1.00 1.01 H new ATOM 0 HA SER A 45 63.346 38.754 -48.403 1.00 0.93 H new ATOM 0 HB2 SER A 45 64.524 40.184 -50.864 1.00 1.04 H new ATOM 0 HB3 SER A 45 62.814 39.842 -50.698 1.00 1.04 H new ATOM 0 HG SER A 45 64.434 41.663 -49.254 1.00 1.64 H new ATOM 727 N SER A 46 62.795 37.128 -50.378 1.00 0.84 N ATOM 728 CA SER A 46 62.650 35.858 -51.148 1.00 1.02 C ATOM 729 C SER A 46 61.499 35.969 -52.157 1.00 1.10 C ATOM 730 O SER A 46 61.303 36.996 -52.777 1.00 1.66 O ATOM 731 CB SER A 46 62.338 34.799 -50.094 1.00 1.08 C ATOM 732 OG SER A 46 62.413 33.507 -50.682 1.00 1.49 O ATOM 0 H SER A 46 61.921 37.613 -50.173 1.00 0.84 H new ATOM 0 HA SER A 46 63.545 35.618 -51.721 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.044 34.875 -49.267 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.343 34.965 -49.680 1.00 1.08 H new ATOM 0 HG SER A 46 62.214 32.827 -50.005 1.00 1.49 H new ATOM 738 N LEU A 47 60.741 34.917 -52.329 1.00 1.13 N ATOM 739 CA LEU A 47 59.609 34.965 -53.301 1.00 1.25 C ATOM 740 C LEU A 47 58.830 36.274 -53.138 1.00 0.98 C ATOM 741 O LEU A 47 59.112 37.261 -53.791 1.00 1.23 O ATOM 742 CB LEU A 47 58.728 33.759 -52.957 1.00 1.60 C ATOM 743 CG LEU A 47 58.869 32.693 -54.047 1.00 2.09 C ATOM 744 CD1 LEU A 47 59.392 31.396 -53.429 1.00 2.75 C ATOM 745 CD2 LEU A 47 57.502 32.435 -54.689 1.00 2.50 C ATOM 0 H LEU A 47 60.857 34.029 -51.840 1.00 1.13 H new ATOM 0 HA LEU A 47 59.951 34.928 -54.335 1.00 1.25 H new ATOM 0 HB2 LEU A 47 59.019 33.347 -51.991 1.00 1.60 H new ATOM 0 HB3 LEU A 47 57.687 34.069 -52.870 1.00 1.60 H new ATOM 0 HG LEU A 47 59.569 33.042 -54.806 1.00 2.09 H new ATOM 0 HD11 LEU A 47 59.492 30.638 -54.205 1.00 2.75 H new ATOM 0 HD12 LEU A 47 60.364 31.577 -52.971 1.00 2.75 H new ATOM 0 HD13 LEU A 47 58.693 31.047 -52.669 1.00 2.75 H new ATOM 0 HD21 LEU A 47 57.602 31.676 -55.465 1.00 2.50 H new ATOM 0 HD22 LEU A 47 56.803 32.087 -53.929 1.00 2.50 H new ATOM 0 HD23 LEU A 47 57.127 33.358 -55.131 1.00 2.50 H new ATOM 757 N LEU A 48 57.855 36.294 -52.270 1.00 0.79 N ATOM 758 CA LEU A 48 57.058 37.540 -52.061 1.00 0.85 C ATOM 759 C LEU A 48 57.145 37.970 -50.591 1.00 0.71 C ATOM 760 O LEU A 48 56.148 38.264 -49.962 1.00 0.92 O ATOM 761 CB LEU A 48 55.621 37.149 -52.420 1.00 1.16 C ATOM 762 CG LEU A 48 55.303 37.573 -53.858 1.00 1.67 C ATOM 763 CD1 LEU A 48 55.278 39.100 -53.957 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.371 37.018 -54.803 1.00 2.47 C ATOM 0 H LEU A 48 57.574 35.500 -51.695 1.00 0.79 H new ATOM 0 HA LEU A 48 57.417 38.375 -52.663 1.00 0.85 H new ATOM 0 HB2 LEU A 48 55.492 36.072 -52.313 1.00 1.16 H new ATOM 0 HB3 LEU A 48 54.924 37.624 -51.730 1.00 1.16 H new ATOM 0 HG LEU A 48 54.326 37.179 -54.139 1.00 1.67 H new ATOM 0 HD11 LEU A 48 55.051 39.395 -54.982 1.00 2.36 H new ATOM 0 HD12 LEU A 48 54.513 39.495 -53.288 1.00 2.36 H new ATOM 0 HD13 LEU A 48 56.251 39.499 -53.672 1.00 2.36 H new ATOM 0 HD21 LEU A 48 56.144 37.320 -55.826 1.00 2.47 H new ATOM 0 HD22 LEU A 48 57.348 37.408 -54.517 1.00 2.47 H new ATOM 0 HD23 LEU A 48 56.383 35.930 -54.740 1.00 2.47 H new ATOM 776 N VAL A 49 58.329 37.995 -50.036 1.00 0.54 N ATOM 777 CA VAL A 49 58.477 38.388 -48.603 1.00 0.49 C ATOM 778 C VAL A 49 59.751 39.226 -48.407 1.00 0.42 C ATOM 779 O VAL A 49 60.822 38.852 -48.844 1.00 0.58 O ATOM 780 CB VAL A 49 58.574 37.055 -47.862 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.925 36.402 -48.162 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.434 37.286 -46.357 1.00 1.13 C ATOM 0 H VAL A 49 59.200 37.760 -50.513 1.00 0.54 H new ATOM 0 HA VAL A 49 57.652 39.002 -48.242 1.00 0.49 H new ATOM 0 HB VAL A 49 57.772 36.397 -48.196 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.995 35.451 -47.634 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.015 36.229 -49.234 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.729 37.060 -47.832 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.504 36.332 -45.834 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.231 37.947 -46.015 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.467 37.744 -46.148 1.00 1.13 H new ATOM 792 N LYS A 50 59.642 40.361 -47.761 1.00 0.40 N ATOM 793 CA LYS A 50 60.845 41.229 -47.550 1.00 0.42 C ATOM 794 C LYS A 50 60.830 41.848 -46.149 1.00 0.44 C ATOM 795 O LYS A 50 59.866 42.471 -45.753 1.00 0.55 O ATOM 796 CB LYS A 50 60.718 42.328 -48.608 1.00 0.57 C ATOM 797 CG LYS A 50 61.700 43.463 -48.308 1.00 1.02 C ATOM 798 CD LYS A 50 61.632 44.505 -49.430 1.00 1.41 C ATOM 799 CE LYS A 50 62.913 44.450 -50.270 1.00 1.74 C ATOM 800 NZ LYS A 50 63.742 45.592 -49.791 1.00 2.40 N ATOM 0 H LYS A 50 58.773 40.725 -47.370 1.00 0.40 H new ATOM 0 HA LYS A 50 61.774 40.666 -47.636 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.918 41.916 -49.597 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.698 42.713 -48.623 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.457 43.926 -47.352 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.713 43.069 -48.223 1.00 1.02 H new ATOM 0 HD2 LYS A 50 60.764 44.316 -50.062 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.507 45.501 -49.006 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.433 43.502 -50.134 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.691 44.543 -51.333 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 64.636 45.618 -50.321 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 63.225 46.482 -49.939 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 63.944 45.474 -48.778 1.00 2.40 H new ATOM 814 N TYR A 51 61.888 41.689 -45.392 1.00 0.44 N ATOM 815 CA TYR A 51 61.903 42.282 -44.021 1.00 0.52 C ATOM 816 C TYR A 51 63.074 43.251 -43.867 1.00 0.45 C ATOM 817 O TYR A 51 64.225 42.875 -43.976 1.00 0.59 O ATOM 818 CB TYR A 51 62.054 41.136 -42.992 1.00 0.73 C ATOM 819 CG TYR A 51 62.185 39.770 -43.642 1.00 0.50 C ATOM 820 CD1 TYR A 51 61.248 39.338 -44.586 1.00 0.69 C ATOM 821 CD2 TYR A 51 63.243 38.929 -43.273 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.371 38.075 -45.169 1.00 0.76 C ATOM 823 CE2 TYR A 51 63.361 37.660 -43.857 1.00 1.19 C ATOM 824 CZ TYR A 51 62.427 37.237 -44.806 1.00 1.05 C ATOM 825 OH TYR A 51 62.544 35.989 -45.382 1.00 1.47 O ATOM 0 H TYR A 51 62.731 41.181 -45.660 1.00 0.44 H new ATOM 0 HA TYR A 51 60.975 42.829 -43.856 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.931 41.324 -42.373 1.00 0.73 H new ATOM 0 HB3 TYR A 51 61.190 41.135 -42.328 1.00 0.73 H new ATOM 0 HD1 TYR A 51 60.427 39.983 -44.865 1.00 0.69 H new ATOM 0 HD2 TYR A 51 63.966 39.257 -42.541 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.649 37.746 -45.901 1.00 0.76 H new ATOM 0 HE2 TYR A 51 64.175 37.009 -43.573 1.00 1.19 H new ATOM 0 HH TYR A 51 63.333 35.535 -45.020 1.00 1.47 H new ATOM 835 N VAL A 52 62.789 44.489 -43.584 1.00 0.44 N ATOM 836 CA VAL A 52 63.883 45.476 -43.385 1.00 0.49 C ATOM 837 C VAL A 52 64.175 45.577 -41.886 1.00 0.43 C ATOM 838 O VAL A 52 63.296 45.376 -41.070 1.00 0.56 O ATOM 839 CB VAL A 52 63.337 46.797 -43.928 1.00 0.69 C ATOM 840 CG1 VAL A 52 64.468 47.822 -43.990 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.769 46.585 -45.336 1.00 0.82 C ATOM 0 H VAL A 52 61.845 44.861 -43.482 1.00 0.44 H new ATOM 0 HA VAL A 52 64.810 45.203 -43.889 1.00 0.49 H new ATOM 0 HB VAL A 52 62.546 47.158 -43.271 1.00 0.69 H new ATOM 0 HG11 VAL A 52 64.083 48.766 -44.377 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.873 47.978 -42.990 1.00 1.02 H new ATOM 0 HG13 VAL A 52 65.256 47.455 -44.648 1.00 1.02 H new ATOM 0 HG21 VAL A 52 62.381 47.529 -45.718 1.00 0.82 H new ATOM 0 HG22 VAL A 52 63.558 46.223 -45.996 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.964 45.852 -45.297 1.00 0.82 H new ATOM 851 N CYS A 53 65.391 45.859 -41.502 1.00 0.44 N ATOM 852 CA CYS A 53 65.692 45.934 -40.038 1.00 0.47 C ATOM 853 C CYS A 53 66.623 47.118 -39.720 1.00 0.46 C ATOM 854 O CYS A 53 67.436 47.515 -40.531 1.00 0.68 O ATOM 855 CB CYS A 53 66.392 44.608 -39.698 1.00 0.73 C ATOM 856 SG CYS A 53 65.666 43.233 -40.629 1.00 1.39 S ATOM 0 H CYS A 53 66.179 46.038 -42.124 1.00 0.44 H new ATOM 0 HA CYS A 53 64.783 46.086 -39.456 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.455 44.685 -39.926 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.309 44.412 -38.629 1.00 0.73 H new ATOM 861 N CYS A 54 66.516 47.670 -38.533 1.00 0.39 N ATOM 862 CA CYS A 54 67.401 48.815 -38.141 1.00 0.51 C ATOM 863 C CYS A 54 68.206 48.430 -36.893 1.00 0.48 C ATOM 864 O CYS A 54 67.699 47.736 -36.041 1.00 0.46 O ATOM 865 CB CYS A 54 66.441 49.983 -37.821 1.00 0.68 C ATOM 866 SG CYS A 54 65.979 49.964 -36.054 1.00 1.08 S ATOM 0 H CYS A 54 65.852 47.376 -37.817 1.00 0.39 H new ATOM 0 HA CYS A 54 68.110 49.082 -38.925 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.918 50.932 -38.068 1.00 0.68 H new ATOM 0 HB3 CYS A 54 65.546 49.905 -38.438 1.00 0.68 H new ATOM 871 N ASN A 55 69.412 48.916 -36.737 1.00 0.52 N ATOM 872 CA ASN A 55 70.193 48.592 -35.504 1.00 0.55 C ATOM 873 C ASN A 55 69.867 49.665 -34.476 1.00 0.54 C ATOM 874 O ASN A 55 70.615 50.585 -34.217 1.00 0.61 O ATOM 875 CB ASN A 55 71.673 48.593 -35.935 1.00 0.67 C ATOM 876 CG ASN A 55 72.250 50.014 -35.930 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.712 50.904 -36.557 1.00 2.23 O ATOM 878 ND2 ASN A 55 73.332 50.262 -35.239 1.00 2.32 N ATOM 0 H ASN A 55 69.888 49.520 -37.407 1.00 0.52 H new ATOM 0 HA ASN A 55 69.959 47.626 -35.056 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.251 47.960 -35.262 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.764 48.164 -36.933 1.00 0.67 H new ATOM 0 HD21 ASN A 55 73.725 51.203 -35.226 1.00 2.32 H new ATOM 0 HD22 ASN A 55 73.783 49.514 -34.713 1.00 2.32 H new ATOM 885 N THR A 56 68.697 49.575 -33.926 1.00 0.49 N ATOM 886 CA THR A 56 68.261 50.618 -32.962 1.00 0.50 C ATOM 887 C THR A 56 67.303 50.062 -31.906 1.00 0.48 C ATOM 888 O THR A 56 66.973 48.893 -31.893 1.00 0.57 O ATOM 889 CB THR A 56 67.536 51.627 -33.852 1.00 0.54 C ATOM 890 OG1 THR A 56 68.124 51.619 -35.146 1.00 1.15 O ATOM 891 CG2 THR A 56 67.649 53.023 -33.249 1.00 1.16 C ATOM 0 H THR A 56 68.024 48.829 -34.099 1.00 0.49 H new ATOM 0 HA THR A 56 69.097 51.038 -32.402 1.00 0.50 H new ATOM 0 HB THR A 56 66.483 51.354 -33.926 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.757 50.875 -35.667 1.00 1.15 H new ATOM 0 HG21 THR A 56 67.130 53.738 -33.888 1.00 1.16 H new ATOM 0 HG22 THR A 56 67.198 53.028 -32.257 1.00 1.16 H new ATOM 0 HG23 THR A 56 68.700 53.302 -33.171 1.00 1.16 H new ATOM 899 N ASP A 57 66.834 50.920 -31.039 1.00 0.58 N ATOM 900 CA ASP A 57 65.868 50.497 -29.988 1.00 0.60 C ATOM 901 C ASP A 57 64.512 51.144 -30.280 1.00 0.59 C ATOM 902 O ASP A 57 64.416 52.340 -30.468 1.00 0.72 O ATOM 903 CB ASP A 57 66.441 51.022 -28.672 1.00 0.71 C ATOM 904 CG ASP A 57 65.417 50.804 -27.556 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.762 49.776 -27.574 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.304 51.672 -26.706 1.00 1.47 O ATOM 0 H ASP A 57 67.084 51.909 -31.016 1.00 0.58 H new ATOM 0 HA ASP A 57 65.726 49.417 -29.951 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.371 50.506 -28.435 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.679 52.082 -28.762 1.00 0.71 H new ATOM 911 N ARG A 58 63.466 50.368 -30.338 1.00 0.56 N ATOM 912 CA ARG A 58 62.131 50.958 -30.640 1.00 0.61 C ATOM 913 C ARG A 58 62.236 51.880 -31.857 1.00 0.60 C ATOM 914 O ARG A 58 62.030 53.074 -31.758 1.00 0.87 O ATOM 915 CB ARG A 58 61.748 51.761 -29.397 1.00 0.73 C ATOM 916 CG ARG A 58 60.380 52.412 -29.623 1.00 0.93 C ATOM 917 CD ARG A 58 59.328 51.727 -28.746 1.00 1.16 C ATOM 918 NE ARG A 58 58.137 52.622 -28.805 1.00 1.10 N ATOM 919 CZ ARG A 58 57.924 53.494 -27.856 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.580 54.622 -27.843 1.00 1.91 N ATOM 921 NH2 ARG A 58 57.053 53.238 -26.919 1.00 1.52 N ATOM 0 H ARG A 58 63.476 49.359 -30.191 1.00 0.56 H new ATOM 0 HA ARG A 58 61.387 50.195 -30.870 1.00 0.61 H new ATOM 0 HB2 ARG A 58 61.715 51.109 -28.524 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.499 52.525 -29.196 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.429 53.475 -29.385 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.099 52.333 -30.673 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.092 50.730 -29.118 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.683 51.609 -27.722 1.00 1.16 H new ATOM 0 HE ARG A 58 57.487 52.553 -29.588 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.261 54.824 -28.575 1.00 1.91 H new ATOM 0 HH12 ARG A 58 58.412 55.301 -27.101 1.00 1.91 H new ATOM 0 HH21 ARG A 58 56.539 52.357 -26.928 1.00 1.52 H new ATOM 0 HH22 ARG A 58 56.886 53.919 -26.178 1.00 1.52 H new ATOM 935 N CYS A 59 62.545 51.341 -33.011 1.00 0.44 N ATOM 936 CA CYS A 59 62.651 52.205 -34.220 1.00 0.47 C ATOM 937 C CYS A 59 61.553 51.835 -35.234 1.00 0.60 C ATOM 938 O CYS A 59 60.929 52.694 -35.824 1.00 1.14 O ATOM 939 CB CYS A 59 64.065 51.943 -34.782 1.00 0.42 C ATOM 940 SG CYS A 59 64.059 50.573 -35.982 1.00 0.84 S ATOM 0 H CYS A 59 62.726 50.349 -33.164 1.00 0.44 H new ATOM 0 HA CYS A 59 62.511 53.262 -33.995 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.441 52.847 -35.261 1.00 0.42 H new ATOM 0 HB3 CYS A 59 64.746 51.709 -33.964 1.00 0.42 H new ATOM 945 N ASN A 60 61.319 50.564 -35.447 1.00 0.52 N ATOM 946 CA ASN A 60 60.274 50.156 -36.430 1.00 0.55 C ATOM 947 C ASN A 60 58.887 50.562 -35.931 1.00 0.71 C ATOM 948 O ASN A 60 58.036 49.699 -35.841 1.00 1.39 O ATOM 949 CB ASN A 60 60.387 48.630 -36.546 1.00 0.41 C ATOM 950 CG ASN A 60 60.176 47.972 -35.179 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.060 48.650 -34.176 1.00 0.43 O ATOM 952 ND2 ASN A 60 60.119 46.667 -35.100 1.00 0.40 N ATOM 953 OXT ASN A 60 58.701 51.737 -35.658 1.00 1.25 O ATOM 0 H ASN A 60 61.805 49.796 -34.984 1.00 0.52 H new ATOM 0 HA ASN A 60 60.415 50.640 -37.397 1.00 0.55 H new ATOM 0 HB2 ASN A 60 59.647 48.257 -37.254 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.368 48.361 -36.939 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.977 46.217 -34.196 1.00 0.40 H new ATOM 0 HD22 ASN A 60 60.217 46.100 -35.942 1.00 0.40 H new TER 960 ASN A 60