USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 KDH O02 : rot 180:sc= 0 USER MOD Single : A 1 KDH O03 : rot -61:sc= 0.0189 USER MOD Single : A 1 KDH O1 : rot 5:sc= 0.0418 USER MOD Single : A 1 KDH O10 : rot -171:sc= 0.00369 USER MOD Single : A 1 KDH O44 : rot -159:sc= -0.19 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.014 USER MOD Single : A 1 KDH O50 : rot -179:sc= 0.0409 USER MOD Single : A 1 KDH O7 : rot -85:sc= 0.954 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.615! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -117:sc= -4.18! (180deg=-7.87!) USER MOD Single : A 107 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.37) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 152:sc= -2.52 (180deg=-4.77!) USER MOD Single : A 122 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.6!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 137 MET CE :methyl -122:sc= -4.69! (180deg=-11.4!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.35! K(o=-2.4!,f=-1.7) USER MOD Single : A 144 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.4!) USER MOD Single : A 150 TYR OH : rot 180:sc=-0.00974 USER MOD Single : A 157 MET CE :methyl -143:sc= -0.355 (180deg=-1.5) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.704 8.978 3.917 1.00 2.87 N ATOM 2 CA MET A 90 13.496 7.840 2.975 1.00 2.20 C ATOM 3 C MET A 90 12.170 7.138 3.277 1.00 1.76 C ATOM 4 O MET A 90 12.140 6.067 3.851 1.00 2.23 O ATOM 5 CB MET A 90 14.672 6.897 3.228 1.00 2.68 C ATOM 6 CG MET A 90 15.353 6.565 1.900 1.00 3.11 C ATOM 7 SD MET A 90 16.027 4.887 1.970 1.00 4.08 S ATOM 8 CE MET A 90 17.608 5.246 1.165 1.00 4.71 C ATOM 0 HA MET A 90 13.452 8.167 1.936 1.00 2.20 H new ATOM 0 HB2 MET A 90 15.385 7.362 3.909 1.00 2.68 H new ATOM 0 HB3 MET A 90 14.323 5.983 3.708 1.00 2.68 H new ATOM 0 HG2 MET A 90 14.638 6.647 1.082 1.00 3.11 H new ATOM 0 HG3 MET A 90 16.150 7.281 1.699 1.00 3.11 H new ATOM 0 HE1 MET A 90 18.199 4.332 1.100 1.00 4.71 H new ATOM 0 HE2 MET A 90 17.426 5.632 0.162 1.00 4.71 H new ATOM 0 HE3 MET A 90 18.152 5.990 1.747 1.00 4.71 H new ATOM 20 N GLY A 91 11.073 7.734 2.897 1.00 1.61 N ATOM 21 CA GLY A 91 9.751 7.102 3.164 1.00 1.31 C ATOM 22 C GLY A 91 9.477 6.021 2.118 1.00 1.37 C ATOM 23 O GLY A 91 10.365 5.585 1.413 1.00 1.61 O ATOM 0 H GLY A 91 11.036 8.631 2.413 1.00 1.61 H new ATOM 0 HA2 GLY A 91 9.740 6.666 4.163 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.964 7.856 3.137 1.00 1.31 H new ATOM 27 N LYS A 92 8.253 5.584 2.012 1.00 1.27 N ATOM 28 CA LYS A 92 7.919 4.529 1.011 1.00 1.47 C ATOM 29 C LYS A 92 6.404 4.322 0.952 1.00 1.40 C ATOM 30 O LYS A 92 5.795 4.408 -0.096 1.00 1.56 O ATOM 31 CB LYS A 92 8.612 3.265 1.520 1.00 1.61 C ATOM 32 CG LYS A 92 8.427 2.136 0.503 1.00 1.94 C ATOM 33 CD LYS A 92 7.379 1.148 1.020 1.00 2.31 C ATOM 34 CE LYS A 92 8.014 -0.236 1.175 1.00 2.59 C ATOM 35 NZ LYS A 92 7.098 -1.165 0.456 1.00 3.20 N ATOM 0 H LYS A 92 7.468 5.911 2.575 1.00 1.27 H new ATOM 0 HA LYS A 92 8.245 4.795 0.005 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.673 3.457 1.676 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.196 2.972 2.484 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.113 2.545 -0.457 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.374 1.623 0.337 1.00 1.94 H new ATOM 0 HD2 LYS A 92 6.985 1.488 1.978 1.00 2.31 H new ATOM 0 HD3 LYS A 92 6.538 1.098 0.328 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.016 -0.260 0.747 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.109 -0.511 2.225 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 7.468 -2.135 0.519 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 6.154 -1.126 0.890 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 7.032 -0.883 -0.543 1.00 3.20 H new ATOM 49 N SER A 93 5.792 4.051 2.071 1.00 1.38 N ATOM 50 CA SER A 93 4.317 3.840 2.084 1.00 1.40 C ATOM 51 C SER A 93 3.643 4.904 2.955 1.00 1.20 C ATOM 52 O SER A 93 4.298 5.704 3.591 1.00 1.08 O ATOM 53 CB SER A 93 4.121 2.450 2.688 1.00 1.60 C ATOM 54 OG SER A 93 4.200 1.475 1.657 1.00 2.20 O ATOM 0 H SER A 93 6.250 3.966 2.978 1.00 1.38 H new ATOM 0 HA SER A 93 3.878 3.916 1.089 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.882 2.259 3.444 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.154 2.391 3.187 1.00 1.60 H new ATOM 0 HG SER A 93 4.076 0.582 2.041 1.00 2.20 H new ATOM 60 N GLU A 94 2.339 4.918 2.988 1.00 1.26 N ATOM 61 CA GLU A 94 1.627 5.930 3.820 1.00 1.17 C ATOM 62 C GLU A 94 2.282 6.038 5.198 1.00 1.12 C ATOM 63 O GLU A 94 2.200 7.054 5.859 1.00 1.09 O ATOM 64 CB GLU A 94 0.200 5.400 3.944 1.00 1.33 C ATOM 65 CG GLU A 94 -0.530 5.603 2.617 1.00 1.28 C ATOM 66 CD GLU A 94 -2.030 5.752 2.880 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.655 4.758 3.209 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.527 6.858 2.748 1.00 1.94 O ATOM 0 H GLU A 94 1.736 4.274 2.476 1.00 1.26 H new ATOM 0 HA GLU A 94 1.657 6.926 3.378 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.214 4.342 4.207 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.325 5.920 4.745 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.148 6.490 2.111 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.348 4.756 1.956 1.00 1.28 H new ATOM 75 N GLU A 95 2.933 4.996 5.637 1.00 1.19 N ATOM 76 CA GLU A 95 3.593 5.036 6.972 1.00 1.23 C ATOM 77 C GLU A 95 4.595 6.192 7.036 1.00 1.03 C ATOM 78 O GLU A 95 4.528 7.036 7.908 1.00 1.01 O ATOM 79 CB GLU A 95 4.317 3.695 7.094 1.00 1.45 C ATOM 80 CG GLU A 95 4.760 3.484 8.543 1.00 1.90 C ATOM 81 CD GLU A 95 3.949 2.345 9.163 1.00 2.12 C ATOM 82 OE1 GLU A 95 2.850 2.609 9.623 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.440 1.228 9.167 1.00 2.49 O ATOM 0 H GLU A 95 3.036 4.118 5.128 1.00 1.19 H new ATOM 0 HA GLU A 95 2.878 5.191 7.780 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.658 2.884 6.782 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.182 3.675 6.431 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.824 3.249 8.579 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.617 4.400 9.116 1.00 1.90 H new ATOM 90 N GLU A 96 5.526 6.236 6.123 1.00 1.02 N ATOM 91 CA GLU A 96 6.533 7.336 6.137 1.00 0.94 C ATOM 92 C GLU A 96 6.093 8.480 5.218 1.00 0.79 C ATOM 93 O GLU A 96 6.540 9.602 5.352 1.00 0.82 O ATOM 94 CB GLU A 96 7.822 6.697 5.619 1.00 1.15 C ATOM 95 CG GLU A 96 8.476 5.881 6.736 1.00 1.62 C ATOM 96 CD GLU A 96 8.656 4.434 6.274 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.402 4.223 5.332 1.00 2.78 O ATOM 98 OE2 GLU A 96 8.044 3.562 6.869 1.00 2.18 O ATOM 0 H GLU A 96 5.633 5.559 5.368 1.00 1.02 H new ATOM 0 HA GLU A 96 6.658 7.765 7.131 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.604 6.055 4.766 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.508 7.469 5.270 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.442 6.313 6.998 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.858 5.913 7.633 1.00 1.62 H new ATOM 105 N LEU A 97 5.222 8.207 4.285 1.00 0.77 N ATOM 106 CA LEU A 97 4.761 9.285 3.361 1.00 0.71 C ATOM 107 C LEU A 97 4.318 10.512 4.164 1.00 0.67 C ATOM 108 O LEU A 97 4.773 11.614 3.932 1.00 0.75 O ATOM 109 CB LEU A 97 3.571 8.684 2.609 1.00 0.80 C ATOM 110 CG LEU A 97 3.997 8.265 1.199 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.724 9.423 0.510 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.928 7.056 1.289 1.00 1.22 C ATOM 0 H LEU A 97 4.810 7.288 4.122 1.00 0.77 H new ATOM 0 HA LEU A 97 5.549 9.611 2.683 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.186 7.821 3.152 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.762 9.412 2.552 1.00 0.80 H new ATOM 0 HG LEU A 97 3.113 8.003 0.618 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.025 9.119 -0.493 1.00 1.40 H new ATOM 0 HD12 LEU A 97 4.058 10.283 0.444 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.608 9.693 1.088 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.233 6.756 0.286 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.810 7.319 1.873 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.406 6.230 1.772 1.00 1.22 H new ATOM 124 N SER A 98 3.432 10.327 5.105 1.00 0.69 N ATOM 125 CA SER A 98 2.958 11.482 5.922 1.00 0.76 C ATOM 126 C SER A 98 4.152 12.263 6.478 1.00 0.72 C ATOM 127 O SER A 98 4.295 13.446 6.245 1.00 0.77 O ATOM 128 CB SER A 98 2.150 10.856 7.059 1.00 0.92 C ATOM 129 OG SER A 98 3.038 10.244 7.985 1.00 1.57 O ATOM 0 H SER A 98 3.016 9.427 5.344 1.00 0.69 H new ATOM 0 HA SER A 98 2.364 12.185 5.338 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.553 11.619 7.559 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.454 10.117 6.662 1.00 0.92 H new ATOM 0 HG SER A 98 2.523 9.843 8.716 1.00 1.57 H new ATOM 135 N ASP A 99 5.009 11.609 7.212 1.00 0.80 N ATOM 136 CA ASP A 99 6.192 12.314 7.782 1.00 0.86 C ATOM 137 C ASP A 99 7.080 12.854 6.658 1.00 0.81 C ATOM 138 O ASP A 99 7.965 13.656 6.883 1.00 0.91 O ATOM 139 CB ASP A 99 6.936 11.248 8.588 1.00 1.02 C ATOM 140 CG ASP A 99 7.028 11.685 10.050 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.079 12.283 10.530 1.00 1.83 O ATOM 142 OD2 ASP A 99 8.046 11.415 10.666 1.00 1.79 O ATOM 0 H ASP A 99 4.942 10.618 7.442 1.00 0.80 H new ATOM 0 HA ASP A 99 5.907 13.167 8.398 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.416 10.293 8.515 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.935 11.099 8.179 1.00 1.02 H new ATOM 147 N LEU A 100 6.852 12.420 5.450 1.00 0.75 N ATOM 148 CA LEU A 100 7.684 12.908 4.312 1.00 0.76 C ATOM 149 C LEU A 100 6.957 14.029 3.562 1.00 0.68 C ATOM 150 O LEU A 100 7.566 14.961 3.075 1.00 0.79 O ATOM 151 CB LEU A 100 7.866 11.688 3.408 1.00 0.86 C ATOM 152 CG LEU A 100 8.925 11.989 2.347 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.315 11.707 2.920 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.686 11.098 1.125 1.00 1.41 C ATOM 0 H LEU A 100 6.126 11.749 5.200 1.00 0.75 H new ATOM 0 HA LEU A 100 8.638 13.319 4.644 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.167 10.825 4.002 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.920 11.433 2.930 1.00 0.86 H new ATOM 0 HG LEU A 100 8.860 13.037 2.053 1.00 0.79 H new ATOM 0 HD11 LEU A 100 11.070 11.921 2.164 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.484 12.339 3.792 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.382 10.659 3.213 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.440 11.311 0.367 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.753 10.051 1.420 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.695 11.298 0.717 1.00 1.41 H new ATOM 166 N PHE A 101 5.658 13.942 3.463 1.00 0.60 N ATOM 167 CA PHE A 101 4.891 14.999 2.740 1.00 0.59 C ATOM 168 C PHE A 101 4.994 16.337 3.479 1.00 0.60 C ATOM 169 O PHE A 101 5.286 17.360 2.893 1.00 0.72 O ATOM 170 CB PHE A 101 3.444 14.500 2.733 1.00 0.61 C ATOM 171 CG PHE A 101 2.517 15.636 2.367 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.062 16.514 3.358 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.112 15.809 1.038 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.202 17.566 3.019 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.252 16.862 0.700 1.00 0.73 C ATOM 176 CZ PHE A 101 0.797 17.740 1.691 1.00 0.69 C ATOM 0 H PHE A 101 5.094 13.186 3.851 1.00 0.60 H new ATOM 0 HA PHE A 101 5.272 15.167 1.733 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.334 13.683 2.020 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.181 14.104 3.714 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.374 16.380 4.383 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.462 15.131 0.274 1.00 0.68 H new ATOM 0 HE1 PHE A 101 0.851 18.244 3.783 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.940 16.996 -0.325 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.134 18.551 1.431 1.00 0.69 H new ATOM 186 N ARG A 102 4.748 16.337 4.759 1.00 0.67 N ATOM 187 CA ARG A 102 4.822 17.609 5.535 1.00 0.76 C ATOM 188 C ARG A 102 6.265 18.120 5.597 1.00 0.68 C ATOM 189 O ARG A 102 6.526 19.211 6.065 1.00 0.78 O ATOM 190 CB ARG A 102 4.324 17.243 6.933 1.00 0.99 C ATOM 191 CG ARG A 102 5.391 16.414 7.652 1.00 1.30 C ATOM 192 CD ARG A 102 4.815 15.847 8.951 1.00 1.45 C ATOM 193 NE ARG A 102 5.766 16.285 10.012 1.00 2.12 N ATOM 194 CZ ARG A 102 5.819 15.649 11.152 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.027 14.636 11.378 1.00 3.07 N ATOM 196 NH2 ARG A 102 6.665 16.030 12.069 1.00 3.37 N ATOM 0 H ARG A 102 4.499 15.511 5.303 1.00 0.67 H new ATOM 0 HA ARG A 102 4.229 18.403 5.080 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.106 18.147 7.502 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.394 16.678 6.864 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.730 15.602 7.008 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.262 17.033 7.869 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.811 16.228 9.138 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.741 14.760 8.910 1.00 1.45 H new ATOM 0 HE ARG A 102 6.378 17.084 9.847 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.363 14.338 10.663 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.072 14.142 12.270 1.00 3.07 H new ATOM 0 HH21 ARG A 102 7.283 16.823 11.895 1.00 3.37 H new ATOM 0 HH22 ARG A 102 6.708 15.535 12.960 1.00 3.37 H new ATOM 210 N MET A 103 7.205 17.342 5.136 1.00 0.71 N ATOM 211 CA MET A 103 8.629 17.788 5.178 1.00 0.75 C ATOM 212 C MET A 103 8.976 18.606 3.930 1.00 0.68 C ATOM 213 O MET A 103 9.532 19.683 4.018 1.00 0.83 O ATOM 214 CB MET A 103 9.446 16.497 5.215 1.00 0.93 C ATOM 215 CG MET A 103 10.750 16.738 5.978 1.00 1.27 C ATOM 216 SD MET A 103 12.156 16.354 4.904 1.00 1.82 S ATOM 217 CE MET A 103 13.200 15.575 6.161 1.00 2.43 C ATOM 0 H MET A 103 7.051 16.418 4.732 1.00 0.71 H new ATOM 0 HA MET A 103 8.831 18.428 6.037 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.872 15.705 5.696 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.663 16.162 4.201 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.804 17.775 6.309 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.781 16.116 6.872 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.138 15.255 5.708 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.407 16.291 6.957 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.684 14.709 6.577 1.00 2.43 H new ATOM 227 N PHE A 104 8.661 18.102 2.768 1.00 0.68 N ATOM 228 CA PHE A 104 8.983 18.851 1.519 1.00 0.79 C ATOM 229 C PHE A 104 8.287 20.216 1.512 1.00 0.71 C ATOM 230 O PHE A 104 8.658 21.107 0.775 1.00 0.88 O ATOM 231 CB PHE A 104 8.460 17.972 0.383 1.00 0.94 C ATOM 232 CG PHE A 104 9.256 16.690 0.335 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.646 16.723 0.497 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.604 15.469 0.127 1.00 1.26 C ATOM 235 CE1 PHE A 104 11.384 15.534 0.451 1.00 2.65 C ATOM 236 CE2 PHE A 104 9.342 14.281 0.082 1.00 1.86 C ATOM 237 CZ PHE A 104 10.732 14.313 0.244 1.00 2.56 C ATOM 0 H PHE A 104 8.195 17.205 2.629 1.00 0.68 H new ATOM 0 HA PHE A 104 10.051 19.048 1.424 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.403 17.752 0.536 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.542 18.500 -0.567 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.149 17.665 0.657 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.532 15.444 0.001 1.00 1.26 H new ATOM 0 HE1 PHE A 104 12.457 15.559 0.575 1.00 2.65 H new ATOM 0 HE2 PHE A 104 8.839 13.339 -0.078 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.301 13.396 0.209 1.00 2.56 H new ATOM 247 N ASP A 105 7.283 20.389 2.328 1.00 0.61 N ATOM 248 CA ASP A 105 6.573 21.701 2.362 1.00 0.60 C ATOM 249 C ASP A 105 7.513 22.793 2.885 1.00 0.56 C ATOM 250 O ASP A 105 7.374 23.266 3.995 1.00 0.63 O ATOM 251 CB ASP A 105 5.401 21.493 3.322 1.00 0.68 C ATOM 252 CG ASP A 105 4.420 22.660 3.190 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.706 23.565 2.424 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.399 22.628 3.858 1.00 1.45 O ATOM 0 H ASP A 105 6.924 19.682 2.970 1.00 0.61 H new ATOM 0 HA ASP A 105 6.236 22.017 1.375 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.897 20.553 3.099 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.765 21.424 4.347 1.00 0.68 H new ATOM 259 N LYS A 106 8.471 23.195 2.092 1.00 0.59 N ATOM 260 CA LYS A 106 9.420 24.255 2.544 1.00 0.66 C ATOM 261 C LYS A 106 8.657 25.545 2.857 1.00 0.55 C ATOM 262 O LYS A 106 9.162 26.432 3.515 1.00 0.63 O ATOM 263 CB LYS A 106 10.371 24.470 1.365 1.00 0.87 C ATOM 264 CG LYS A 106 11.820 24.375 1.849 1.00 1.21 C ATOM 265 CD LYS A 106 12.770 24.583 0.666 1.00 1.61 C ATOM 266 CE LYS A 106 12.559 25.983 0.081 1.00 1.77 C ATOM 267 NZ LYS A 106 13.896 26.395 -0.435 1.00 2.14 N ATOM 0 H LYS A 106 8.637 22.836 1.152 1.00 0.59 H new ATOM 0 HA LYS A 106 9.954 23.970 3.450 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.185 23.722 0.594 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.191 25.446 0.913 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.008 25.126 2.616 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.999 23.401 2.305 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.804 24.465 0.991 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.588 23.827 -0.098 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.816 25.969 -0.716 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.199 26.677 0.840 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.227 27.232 0.086 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.573 25.616 -0.305 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.822 26.624 -1.447 1.00 2.14 H new ATOM 281 N ASN A 107 7.445 25.654 2.387 1.00 0.48 N ATOM 282 CA ASN A 107 6.647 26.885 2.653 1.00 0.50 C ATOM 283 C ASN A 107 6.047 26.831 4.061 1.00 0.58 C ATOM 284 O ASN A 107 5.656 27.837 4.618 1.00 0.70 O ATOM 285 CB ASN A 107 5.542 26.873 1.597 1.00 0.54 C ATOM 286 CG ASN A 107 4.893 28.256 1.519 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.576 29.258 1.454 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.591 28.352 1.520 1.00 0.78 N ATOM 0 H ASN A 107 6.972 24.943 1.829 1.00 0.48 H new ATOM 0 HA ASN A 107 7.251 27.791 2.601 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.955 26.599 0.626 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.793 26.122 1.848 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.147 29.269 1.466 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.018 27.510 1.575 1.00 0.78 H new ATOM 295 N ALA A 108 5.971 25.663 4.638 1.00 0.65 N ATOM 296 CA ALA A 108 5.395 25.542 6.008 1.00 0.84 C ATOM 297 C ALA A 108 3.919 25.947 6.002 1.00 0.78 C ATOM 298 O ALA A 108 3.586 27.114 5.942 1.00 0.96 O ATOM 299 CB ALA A 108 6.211 26.507 6.869 1.00 1.03 C ATOM 0 H ALA A 108 6.283 24.787 4.220 1.00 0.65 H new ATOM 0 HA ALA A 108 5.441 24.520 6.384 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.846 26.476 7.896 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.261 26.215 6.848 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.108 27.519 6.478 1.00 1.03 H new ATOM 305 N ASP A 109 3.031 24.992 6.065 1.00 0.73 N ATOM 306 CA ASP A 109 1.576 25.321 6.066 1.00 0.74 C ATOM 307 C ASP A 109 0.744 24.036 6.060 1.00 0.78 C ATOM 308 O ASP A 109 -0.355 23.994 6.577 1.00 0.96 O ATOM 309 CB ASP A 109 1.342 26.111 4.778 1.00 0.72 C ATOM 310 CG ASP A 109 1.976 25.368 3.601 1.00 1.15 C ATOM 311 OD1 ASP A 109 3.145 25.600 3.340 1.00 1.95 O ATOM 312 OD2 ASP A 109 1.282 24.580 2.981 1.00 1.66 O ATOM 0 H ASP A 109 3.250 23.997 6.116 1.00 0.73 H new ATOM 0 HA ASP A 109 1.285 25.888 6.950 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.273 26.240 4.607 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.773 27.108 4.867 1.00 0.72 H new ATOM 317 N GLY A 110 1.258 22.990 5.477 1.00 0.76 N ATOM 318 CA GLY A 110 0.497 21.710 5.434 1.00 0.85 C ATOM 319 C GLY A 110 0.143 21.380 3.983 1.00 0.70 C ATOM 320 O GLY A 110 -0.654 20.504 3.711 1.00 0.73 O ATOM 0 H GLY A 110 2.173 22.966 5.028 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.091 20.906 5.867 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.411 21.793 6.032 1.00 0.85 H new ATOM 324 N TYR A 111 0.730 22.077 3.047 1.00 0.68 N ATOM 325 CA TYR A 111 0.428 21.805 1.612 1.00 0.60 C ATOM 326 C TYR A 111 1.696 21.955 0.765 1.00 0.58 C ATOM 327 O TYR A 111 2.704 22.457 1.221 1.00 0.83 O ATOM 328 CB TYR A 111 -0.602 22.863 1.217 1.00 0.68 C ATOM 329 CG TYR A 111 -1.858 22.682 2.037 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.794 21.706 1.677 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.086 23.491 3.157 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.959 21.539 2.435 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.251 23.324 3.916 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.188 22.348 3.555 1.00 0.80 C ATOM 335 OH TYR A 111 -5.336 22.183 4.302 1.00 0.90 O ATOM 0 H TYR A 111 1.405 22.823 3.214 1.00 0.68 H new ATOM 0 HA TYR A 111 0.057 20.792 1.455 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.193 23.860 1.377 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.834 22.780 0.155 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.617 21.081 0.814 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -1.363 24.244 3.435 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.681 20.786 2.156 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -3.427 23.948 4.780 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.338 22.823 5.044 1.00 0.90 H new ATOM 345 N ILE A 112 1.649 21.529 -0.468 1.00 0.50 N ATOM 346 CA ILE A 112 2.846 21.653 -1.349 1.00 0.50 C ATOM 347 C ILE A 112 2.479 22.426 -2.618 1.00 0.49 C ATOM 348 O ILE A 112 1.489 22.143 -3.264 1.00 0.66 O ATOM 349 CB ILE A 112 3.243 20.215 -1.687 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.398 19.412 -0.392 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.572 20.219 -2.443 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.992 18.038 -0.708 1.00 0.66 C ATOM 0 H ILE A 112 0.833 21.100 -0.904 1.00 0.50 H new ATOM 0 HA ILE A 112 3.662 22.193 -0.870 1.00 0.50 H new ATOM 0 HB ILE A 112 2.471 19.761 -2.308 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.044 19.947 0.304 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.430 19.297 0.095 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.856 19.195 -2.685 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.465 20.793 -3.364 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.343 20.672 -1.820 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.102 17.468 0.215 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.330 17.503 -1.389 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.969 18.163 -1.176 1.00 0.66 H new ATOM 364 N ASP A 113 3.263 23.406 -2.979 1.00 0.47 N ATOM 365 CA ASP A 113 2.948 24.199 -4.203 1.00 0.50 C ATOM 366 C ASP A 113 3.828 23.752 -5.372 1.00 0.50 C ATOM 367 O ASP A 113 4.638 22.855 -5.247 1.00 0.57 O ATOM 368 CB ASP A 113 3.257 25.648 -3.828 1.00 0.60 C ATOM 369 CG ASP A 113 2.004 26.305 -3.248 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.201 25.595 -2.665 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.868 27.509 -3.396 1.00 1.77 O ATOM 0 H ASP A 113 4.106 23.692 -2.481 1.00 0.47 H new ATOM 0 HA ASP A 113 1.913 24.069 -4.519 1.00 0.50 H new ATOM 0 HB2 ASP A 113 4.068 25.681 -3.100 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.595 26.198 -4.707 1.00 0.60 H new ATOM 376 N LEU A 114 3.673 24.373 -6.509 1.00 0.52 N ATOM 377 CA LEU A 114 4.497 23.989 -7.690 1.00 0.57 C ATOM 378 C LEU A 114 5.968 24.340 -7.447 1.00 0.63 C ATOM 379 O LEU A 114 6.861 23.636 -7.873 1.00 0.80 O ATOM 380 CB LEU A 114 3.936 24.814 -8.849 1.00 0.62 C ATOM 381 CG LEU A 114 2.746 24.081 -9.470 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.753 25.099 -10.033 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.242 23.174 -10.600 1.00 0.81 C ATOM 0 H LEU A 114 3.010 25.131 -6.671 1.00 0.52 H new ATOM 0 HA LEU A 114 4.455 22.919 -7.891 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.626 25.796 -8.493 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.709 24.977 -9.601 1.00 0.62 H new ATOM 0 HG LEU A 114 2.253 23.479 -8.707 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.906 24.575 -10.475 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.400 25.746 -9.230 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.244 25.703 -10.796 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.396 22.650 -11.044 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.735 23.778 -11.361 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.949 22.447 -10.200 1.00 0.81 H new ATOM 395 N ASP A 115 6.224 25.425 -6.769 1.00 0.61 N ATOM 396 CA ASP A 115 7.637 25.823 -6.503 1.00 0.71 C ATOM 397 C ASP A 115 8.225 24.975 -5.371 1.00 0.65 C ATOM 398 O ASP A 115 9.370 24.573 -5.417 1.00 0.89 O ATOM 399 CB ASP A 115 7.565 27.294 -6.091 1.00 0.80 C ATOM 400 CG ASP A 115 7.290 28.155 -7.325 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.546 27.708 -8.181 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.830 29.248 -7.392 1.00 1.76 O ATOM 0 H ASP A 115 5.517 26.053 -6.388 1.00 0.61 H new ATOM 0 HA ASP A 115 8.277 25.675 -7.373 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.778 27.438 -5.351 1.00 0.80 H new ATOM 0 HB3 ASP A 115 8.501 27.598 -5.623 1.00 0.80 H new ATOM 407 N GLU A 116 7.451 24.699 -4.357 1.00 0.51 N ATOM 408 CA GLU A 116 7.974 23.875 -3.230 1.00 0.48 C ATOM 409 C GLU A 116 8.416 22.506 -3.750 1.00 0.49 C ATOM 410 O GLU A 116 9.354 21.915 -3.253 1.00 0.63 O ATOM 411 CB GLU A 116 6.802 23.731 -2.256 1.00 0.48 C ATOM 412 CG GLU A 116 6.305 25.117 -1.840 1.00 0.57 C ATOM 413 CD GLU A 116 5.181 24.967 -0.814 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.284 24.087 0.024 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.236 25.735 -0.885 1.00 1.19 O ATOM 0 H GLU A 116 6.483 25.007 -4.260 1.00 0.51 H new ATOM 0 HA GLU A 116 8.839 24.331 -2.749 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.994 23.170 -2.725 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.114 23.167 -1.377 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.125 25.697 -1.416 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.946 25.663 -2.712 1.00 0.57 H new ATOM 422 N LEU A 117 7.752 22.000 -4.754 1.00 0.48 N ATOM 423 CA LEU A 117 8.141 20.673 -5.311 1.00 0.52 C ATOM 424 C LEU A 117 9.440 20.806 -6.109 1.00 0.58 C ATOM 425 O LEU A 117 10.137 19.840 -6.347 1.00 0.69 O ATOM 426 CB LEU A 117 6.986 20.268 -6.230 1.00 0.55 C ATOM 427 CG LEU A 117 5.746 19.956 -5.389 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.490 20.149 -6.240 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.810 18.506 -4.901 1.00 0.53 C ATOM 0 H LEU A 117 6.958 22.448 -5.212 1.00 0.48 H new ATOM 0 HA LEU A 117 8.315 19.931 -4.532 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.768 21.072 -6.933 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.266 19.396 -6.820 1.00 0.55 H new ATOM 0 HG LEU A 117 5.712 20.628 -4.531 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.607 19.927 -5.641 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.442 21.181 -6.589 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.525 19.477 -7.098 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.927 18.284 -4.302 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.845 17.835 -5.759 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.704 18.366 -4.294 1.00 0.53 H new ATOM 441 N LYS A 118 9.770 21.999 -6.523 1.00 0.59 N ATOM 442 CA LYS A 118 11.023 22.199 -7.306 1.00 0.69 C ATOM 443 C LYS A 118 12.242 22.138 -6.382 1.00 0.64 C ATOM 444 O LYS A 118 13.049 21.233 -6.464 1.00 0.73 O ATOM 445 CB LYS A 118 10.885 23.592 -7.921 1.00 0.83 C ATOM 446 CG LYS A 118 12.131 23.909 -8.749 1.00 0.99 C ATOM 447 CD LYS A 118 11.971 25.281 -9.406 1.00 1.35 C ATOM 448 CE LYS A 118 12.568 26.356 -8.496 1.00 1.51 C ATOM 449 NZ LYS A 118 12.941 27.470 -9.412 1.00 1.99 N ATOM 0 H LYS A 118 9.226 22.845 -6.353 1.00 0.59 H new ATOM 0 HA LYS A 118 11.163 21.429 -8.065 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.996 23.637 -8.550 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.758 24.337 -7.136 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.016 23.900 -8.112 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.279 23.144 -9.511 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.470 25.292 -10.375 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.916 25.488 -9.588 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.847 26.685 -7.747 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.438 25.979 -7.957 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 13.358 28.247 -8.861 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 13.633 27.129 -10.109 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.092 27.813 -9.906 1.00 1.99 H new ATOM 463 N ILE A 119 12.383 23.093 -5.504 1.00 0.68 N ATOM 464 CA ILE A 119 13.551 23.088 -4.577 1.00 0.74 C ATOM 465 C ILE A 119 13.547 21.813 -3.729 1.00 0.75 C ATOM 466 O ILE A 119 14.550 21.431 -3.160 1.00 0.85 O ATOM 467 CB ILE A 119 13.361 24.320 -3.693 1.00 0.98 C ATOM 468 CG1 ILE A 119 13.406 25.579 -4.561 1.00 1.22 C ATOM 469 CG2 ILE A 119 14.480 24.379 -2.653 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.004 26.181 -4.658 1.00 1.06 C ATOM 0 H ILE A 119 11.740 23.877 -5.388 1.00 0.68 H new ATOM 0 HA ILE A 119 14.501 23.112 -5.110 1.00 0.74 H new ATOM 0 HB ILE A 119 12.398 24.260 -3.187 1.00 0.98 H new ATOM 0 HG12 ILE A 119 14.096 26.305 -4.132 1.00 1.22 H new ATOM 0 HG13 ILE A 119 13.778 25.335 -5.556 1.00 1.22 H new ATOM 0 HG21 ILE A 119 14.345 25.258 -2.022 1.00 1.08 H new ATOM 0 HG22 ILE A 119 14.451 23.481 -2.036 1.00 1.08 H new ATOM 0 HG23 ILE A 119 15.444 24.440 -3.159 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.035 27.078 -5.276 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.326 25.455 -5.107 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.649 26.440 -3.660 1.00 1.06 H new ATOM 482 N MET A 120 12.427 21.151 -3.643 1.00 0.85 N ATOM 483 CA MET A 120 12.364 19.901 -2.835 1.00 1.01 C ATOM 484 C MET A 120 13.311 18.852 -3.423 1.00 0.95 C ATOM 485 O MET A 120 13.956 18.112 -2.708 1.00 1.11 O ATOM 486 CB MET A 120 10.911 19.436 -2.939 1.00 1.17 C ATOM 487 CG MET A 120 10.801 17.987 -2.459 1.00 1.52 C ATOM 488 SD MET A 120 10.213 16.943 -3.817 1.00 1.88 S ATOM 489 CE MET A 120 8.808 16.205 -2.947 1.00 1.43 C ATOM 0 H MET A 120 11.554 21.421 -4.096 1.00 0.85 H new ATOM 0 HA MET A 120 12.665 20.058 -1.799 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.269 20.079 -2.337 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.566 19.516 -3.970 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.771 17.634 -2.109 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.115 17.924 -1.614 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.035 15.936 -3.667 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.137 15.311 -2.417 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.404 16.923 -2.233 1.00 1.43 H new ATOM 499 N LEU A 121 13.400 18.786 -4.722 1.00 0.87 N ATOM 500 CA LEU A 121 14.305 17.789 -5.360 1.00 0.95 C ATOM 501 C LEU A 121 15.704 18.382 -5.543 1.00 0.87 C ATOM 502 O LEU A 121 16.674 17.668 -5.703 1.00 0.97 O ATOM 503 CB LEU A 121 13.672 17.491 -6.718 1.00 1.09 C ATOM 504 CG LEU A 121 12.572 16.444 -6.551 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.563 16.581 -7.691 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.192 15.045 -6.585 1.00 1.80 C ATOM 0 H LEU A 121 12.884 19.380 -5.371 1.00 0.87 H new ATOM 0 HA LEU A 121 14.417 16.890 -4.754 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.257 18.404 -7.146 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.430 17.129 -7.413 1.00 1.09 H new ATOM 0 HG LEU A 121 12.067 16.595 -5.597 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.777 15.835 -7.573 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.123 17.578 -7.669 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.068 16.428 -8.645 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.408 14.297 -6.466 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.696 14.894 -7.539 1.00 1.80 H new ATOM 0 HD23 LEU A 121 13.913 14.947 -5.774 1.00 1.80 H new ATOM 518 N GLN A 122 15.813 19.684 -5.529 1.00 0.82 N ATOM 519 CA GLN A 122 17.148 20.327 -5.708 1.00 0.95 C ATOM 520 C GLN A 122 18.220 19.556 -4.931 1.00 1.04 C ATOM 521 O GLN A 122 19.194 19.095 -5.491 1.00 1.19 O ATOM 522 CB GLN A 122 16.987 21.739 -5.145 1.00 1.14 C ATOM 523 CG GLN A 122 16.839 22.735 -6.297 1.00 1.42 C ATOM 524 CD GLN A 122 17.590 24.023 -5.955 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.173 24.135 -4.894 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.600 25.007 -6.811 1.00 2.28 N ATOM 0 H GLN A 122 15.035 20.331 -5.401 1.00 0.82 H new ATOM 0 HA GLN A 122 17.463 20.338 -6.752 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.113 21.785 -4.496 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.852 21.999 -4.534 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.233 22.304 -7.217 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.785 22.951 -6.472 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.111 24.913 -7.701 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.097 25.870 -6.590 1.00 2.28 H new ATOM 535 N ALA A 123 18.046 19.411 -3.646 1.00 1.09 N ATOM 536 CA ALA A 123 19.055 18.668 -2.836 1.00 1.33 C ATOM 537 C ALA A 123 19.478 17.389 -3.564 1.00 1.38 C ATOM 538 O ALA A 123 20.563 16.879 -3.365 1.00 1.62 O ATOM 539 CB ALA A 123 18.340 18.329 -1.528 1.00 1.45 C ATOM 0 H ALA A 123 17.250 19.774 -3.122 1.00 1.09 H new ATOM 0 HA ALA A 123 19.960 19.251 -2.666 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.018 17.780 -0.875 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.027 19.250 -1.035 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.464 17.716 -1.740 1.00 1.45 H new ATOM 545 N THR A 124 18.630 16.867 -4.408 1.00 1.29 N ATOM 546 CA THR A 124 18.982 15.623 -5.149 1.00 1.47 C ATOM 547 C THR A 124 19.661 15.974 -6.476 1.00 1.44 C ATOM 548 O THR A 124 19.714 15.174 -7.389 1.00 1.72 O ATOM 549 CB THR A 124 17.647 14.922 -5.400 1.00 1.56 C ATOM 550 OG1 THR A 124 16.953 14.774 -4.170 1.00 2.16 O ATOM 551 CG2 THR A 124 17.896 13.545 -6.018 1.00 1.92 C ATOM 0 H THR A 124 17.708 17.249 -4.616 1.00 1.29 H new ATOM 0 HA THR A 124 19.676 14.992 -4.593 1.00 1.47 H new ATOM 0 HB THR A 124 17.047 15.520 -6.086 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.096 14.326 -4.330 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.942 13.048 -6.196 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.426 13.661 -6.963 1.00 1.92 H new ATOM 0 HG23 THR A 124 18.497 12.943 -5.336 1.00 1.92 H new ATOM 559 N GLY A 125 20.178 17.167 -6.590 1.00 1.26 N ATOM 560 CA GLY A 125 20.850 17.572 -7.857 1.00 1.32 C ATOM 561 C GLY A 125 19.794 17.925 -8.906 1.00 1.26 C ATOM 562 O GLY A 125 20.018 17.799 -10.093 1.00 1.63 O ATOM 0 H GLY A 125 20.164 17.879 -5.860 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.500 18.428 -7.678 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.482 16.762 -8.221 1.00 1.32 H new ATOM 566 N GLU A 126 18.643 18.365 -8.476 1.00 1.02 N ATOM 567 CA GLU A 126 17.571 18.724 -9.448 1.00 1.08 C ATOM 568 C GLU A 126 17.757 20.162 -9.942 1.00 0.89 C ATOM 569 O GLU A 126 17.138 21.081 -9.444 1.00 0.87 O ATOM 570 CB GLU A 126 16.267 18.596 -8.658 1.00 1.34 C ATOM 571 CG GLU A 126 15.147 19.343 -9.387 1.00 1.45 C ATOM 572 CD GLU A 126 13.948 18.411 -9.574 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.167 17.222 -9.734 1.00 2.16 O ATOM 574 OE2 GLU A 126 12.832 18.903 -9.552 1.00 2.09 O ATOM 0 H GLU A 126 18.398 18.491 -7.494 1.00 1.02 H new ATOM 0 HA GLU A 126 17.583 18.083 -10.330 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.002 17.545 -8.543 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.396 19.003 -7.655 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.851 20.223 -8.816 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.501 19.696 -10.356 1.00 1.45 H new ATOM 581 N THR A 127 18.593 20.365 -10.923 1.00 1.09 N ATOM 582 CA THR A 127 18.795 21.746 -11.445 1.00 1.21 C ATOM 583 C THR A 127 18.220 21.853 -12.861 1.00 1.29 C ATOM 584 O THR A 127 18.885 21.567 -13.837 1.00 1.60 O ATOM 585 CB THR A 127 20.312 21.948 -11.458 1.00 1.57 C ATOM 586 OG1 THR A 127 20.955 20.684 -11.551 1.00 1.91 O ATOM 587 CG2 THR A 127 20.747 22.650 -10.169 1.00 2.18 C ATOM 0 H THR A 127 19.142 19.639 -11.383 1.00 1.09 H new ATOM 0 HA THR A 127 18.295 22.501 -10.838 1.00 1.21 H new ATOM 0 HB THR A 127 20.590 22.562 -12.315 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.927 20.811 -11.561 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.827 22.793 -10.180 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.253 23.619 -10.098 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.470 22.038 -9.310 1.00 2.18 H new ATOM 595 N ILE A 128 16.987 22.264 -12.976 1.00 1.08 N ATOM 596 CA ILE A 128 16.359 22.393 -14.323 1.00 1.20 C ATOM 597 C ILE A 128 15.548 23.689 -14.407 1.00 1.18 C ATOM 598 O ILE A 128 15.350 24.372 -13.422 1.00 1.15 O ATOM 599 CB ILE A 128 15.441 21.178 -14.450 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.859 21.123 -15.865 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.304 21.292 -13.435 1.00 1.62 C ATOM 602 CD1 ILE A 128 14.661 19.664 -16.280 1.00 2.03 C ATOM 0 H ILE A 128 16.385 22.517 -12.193 1.00 1.08 H new ATOM 0 HA ILE A 128 17.100 22.430 -15.122 1.00 1.20 H new ATOM 0 HB ILE A 128 16.011 20.269 -14.257 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.908 21.654 -15.899 1.00 1.32 H new ATOM 0 HG13 ILE A 128 15.529 21.623 -16.565 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.648 20.426 -13.524 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.718 21.331 -12.428 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.734 22.200 -13.628 1.00 1.62 H new ATOM 0 HD11 ILE A 128 14.247 19.625 -17.287 1.00 2.03 H new ATOM 0 HD12 ILE A 128 15.621 19.147 -16.262 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.975 19.178 -15.586 1.00 2.03 H new ATOM 614 N THR A 129 15.074 24.033 -15.574 1.00 1.34 N ATOM 615 CA THR A 129 14.273 25.283 -15.709 1.00 1.42 C ATOM 616 C THR A 129 13.023 25.206 -14.826 1.00 1.16 C ATOM 617 O THR A 129 12.808 24.240 -14.121 1.00 0.97 O ATOM 618 CB THR A 129 13.887 25.354 -17.188 1.00 1.64 C ATOM 619 OG1 THR A 129 13.097 26.514 -17.413 1.00 2.23 O ATOM 620 CG2 THR A 129 13.088 24.109 -17.572 1.00 2.28 C ATOM 0 H THR A 129 15.206 23.505 -16.436 1.00 1.34 H new ATOM 0 HA THR A 129 14.829 26.166 -15.395 1.00 1.42 H new ATOM 0 HB THR A 129 14.790 25.403 -17.797 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.850 26.563 -18.360 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.815 24.163 -18.626 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.694 23.220 -17.399 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.184 24.055 -16.965 1.00 2.28 H new ATOM 628 N GLU A 130 12.203 26.220 -14.854 1.00 1.31 N ATOM 629 CA GLU A 130 10.972 26.212 -14.011 1.00 1.28 C ATOM 630 C GLU A 130 9.808 25.553 -14.760 1.00 1.16 C ATOM 631 O GLU A 130 8.964 24.908 -14.170 1.00 1.21 O ATOM 632 CB GLU A 130 10.673 27.689 -13.745 1.00 1.69 C ATOM 633 CG GLU A 130 9.230 27.847 -13.263 1.00 2.05 C ATOM 634 CD GLU A 130 8.926 29.330 -13.046 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.636 30.148 -13.608 1.00 3.03 O ATOM 636 OE2 GLU A 130 7.989 29.623 -12.322 1.00 2.70 O ATOM 0 H GLU A 130 12.332 27.056 -15.425 1.00 1.31 H new ATOM 0 HA GLU A 130 11.108 25.646 -13.090 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.361 28.080 -12.995 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.828 28.270 -14.654 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.542 27.427 -13.997 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.082 27.295 -12.335 1.00 2.05 H new ATOM 643 N ASP A 131 9.751 25.719 -16.052 1.00 1.18 N ATOM 644 CA ASP A 131 8.636 25.111 -16.834 1.00 1.19 C ATOM 645 C ASP A 131 8.747 23.582 -16.836 1.00 1.07 C ATOM 646 O ASP A 131 7.844 22.888 -17.258 1.00 1.14 O ATOM 647 CB ASP A 131 8.801 25.664 -18.250 1.00 1.44 C ATOM 648 CG ASP A 131 7.640 26.607 -18.569 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.224 27.327 -17.676 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.186 26.593 -19.701 1.00 1.91 O ATOM 0 H ASP A 131 10.428 26.249 -16.601 1.00 1.18 H new ATOM 0 HA ASP A 131 7.661 25.351 -16.410 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.749 26.195 -18.336 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.827 24.846 -18.970 1.00 1.44 H new ATOM 655 N ASP A 132 9.847 23.051 -16.375 1.00 1.00 N ATOM 656 CA ASP A 132 10.008 21.567 -16.362 1.00 1.03 C ATOM 657 C ASP A 132 9.578 20.986 -15.011 1.00 0.88 C ATOM 658 O ASP A 132 9.361 19.798 -14.879 1.00 1.03 O ATOM 659 CB ASP A 132 11.501 21.330 -16.592 1.00 1.13 C ATOM 660 CG ASP A 132 11.740 20.946 -18.053 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.327 19.864 -18.436 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.333 21.741 -18.764 1.00 1.79 O ATOM 0 H ASP A 132 10.639 23.578 -16.008 1.00 1.00 H new ATOM 0 HA ASP A 132 9.391 21.084 -17.120 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.065 22.230 -16.345 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.860 20.538 -15.934 1.00 1.13 H new ATOM 667 N ILE A 133 9.458 21.810 -14.006 1.00 0.75 N ATOM 668 CA ILE A 133 9.050 21.295 -12.666 1.00 0.77 C ATOM 669 C ILE A 133 7.568 20.906 -12.665 1.00 0.70 C ATOM 670 O ILE A 133 7.216 19.771 -12.413 1.00 0.82 O ATOM 671 CB ILE A 133 9.303 22.455 -11.704 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.762 22.902 -11.822 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.026 21.999 -10.271 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.679 21.681 -11.725 1.00 1.00 C ATOM 0 H ILE A 133 9.624 22.815 -14.053 1.00 0.75 H new ATOM 0 HA ILE A 133 9.606 20.401 -12.384 1.00 0.77 H new ATOM 0 HB ILE A 133 8.644 23.286 -11.954 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.921 23.415 -12.771 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.001 23.613 -11.031 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.206 22.826 -9.585 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.988 21.677 -10.186 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.686 21.168 -10.020 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.718 21.999 -11.809 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.527 21.187 -10.765 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.446 20.986 -12.532 1.00 1.00 H new ATOM 686 N GLU A 134 6.697 21.839 -12.937 1.00 0.61 N ATOM 687 CA GLU A 134 5.239 21.520 -12.943 1.00 0.64 C ATOM 688 C GLU A 134 4.986 20.174 -13.629 1.00 0.64 C ATOM 689 O GLU A 134 4.047 19.472 -13.310 1.00 0.76 O ATOM 690 CB GLU A 134 4.579 22.656 -13.729 1.00 0.73 C ATOM 691 CG GLU A 134 5.430 22.999 -14.954 1.00 0.89 C ATOM 692 CD GLU A 134 4.519 23.229 -16.161 1.00 1.21 C ATOM 693 OE1 GLU A 134 3.821 24.229 -16.169 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.536 22.402 -17.057 1.00 1.87 O ATOM 0 H GLU A 134 6.930 22.808 -13.155 1.00 0.61 H new ATOM 0 HA GLU A 134 4.837 21.439 -11.933 1.00 0.64 H new ATOM 0 HB2 GLU A 134 3.577 22.361 -14.041 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.469 23.535 -13.093 1.00 0.73 H new ATOM 0 HG2 GLU A 134 6.024 23.891 -14.759 1.00 0.89 H new ATOM 0 HG3 GLU A 134 6.130 22.189 -15.162 1.00 0.89 H new ATOM 701 N GLU A 135 5.813 19.806 -14.569 1.00 0.59 N ATOM 702 CA GLU A 135 5.610 18.503 -15.268 1.00 0.67 C ATOM 703 C GLU A 135 5.277 17.405 -14.255 1.00 0.74 C ATOM 704 O GLU A 135 4.566 16.466 -14.554 1.00 0.91 O ATOM 705 CB GLU A 135 6.941 18.210 -15.961 1.00 0.72 C ATOM 706 CG GLU A 135 6.812 16.932 -16.794 1.00 1.16 C ATOM 707 CD GLU A 135 8.121 16.675 -17.541 1.00 1.56 C ATOM 708 OE1 GLU A 135 9.165 16.758 -16.915 1.00 2.03 O ATOM 709 OE2 GLU A 135 8.058 16.398 -18.728 1.00 2.29 O ATOM 0 H GLU A 135 6.618 20.348 -14.883 1.00 0.59 H new ATOM 0 HA GLU A 135 4.783 18.541 -15.977 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.222 19.047 -16.600 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.732 18.095 -15.220 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.578 16.086 -16.148 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.990 17.029 -17.503 1.00 1.16 H new ATOM 716 N LEU A 136 5.783 17.514 -13.057 1.00 0.73 N ATOM 717 CA LEU A 136 5.493 16.476 -12.027 1.00 0.87 C ATOM 718 C LEU A 136 4.244 16.857 -11.227 1.00 0.81 C ATOM 719 O LEU A 136 3.438 16.017 -10.878 1.00 1.00 O ATOM 720 CB LEU A 136 6.725 16.463 -11.122 1.00 0.99 C ATOM 721 CG LEU A 136 7.948 16.034 -11.932 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.189 16.757 -11.406 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.143 14.522 -11.793 1.00 1.75 C ATOM 0 H LEU A 136 6.385 18.277 -12.747 1.00 0.73 H new ATOM 0 HA LEU A 136 5.300 15.498 -12.469 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.887 17.453 -10.696 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.570 15.779 -10.288 1.00 0.99 H new ATOM 0 HG LEU A 136 7.797 16.289 -12.981 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.061 16.451 -11.984 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.050 17.834 -11.501 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.341 16.502 -10.357 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.015 14.213 -12.370 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.294 14.270 -10.743 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.259 14.005 -12.167 1.00 1.75 H new ATOM 735 N MET A 137 4.078 18.118 -10.935 1.00 0.67 N ATOM 736 CA MET A 137 2.881 18.551 -10.158 1.00 0.71 C ATOM 737 C MET A 137 1.622 17.863 -10.695 1.00 0.68 C ATOM 738 O MET A 137 0.699 17.576 -9.960 1.00 0.70 O ATOM 739 CB MET A 137 2.796 20.062 -10.371 1.00 0.82 C ATOM 740 CG MET A 137 2.507 20.751 -9.036 1.00 0.99 C ATOM 741 SD MET A 137 0.815 21.393 -9.041 1.00 0.94 S ATOM 742 CE MET A 137 0.779 21.952 -7.320 1.00 0.53 C ATOM 0 H MET A 137 4.718 18.867 -11.200 1.00 0.67 H new ATOM 0 HA MET A 137 2.959 18.291 -9.102 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.731 20.434 -10.789 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.010 20.295 -11.090 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.637 20.046 -8.215 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.215 21.564 -8.873 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.037 21.457 -6.794 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.725 21.705 -6.837 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.628 23.031 -7.291 1.00 0.53 H new ATOM 752 N LYS A 138 1.578 17.599 -11.973 1.00 0.76 N ATOM 753 CA LYS A 138 0.377 16.932 -12.556 1.00 0.82 C ATOM 754 C LYS A 138 0.004 15.695 -11.734 1.00 0.72 C ATOM 755 O LYS A 138 -1.064 15.620 -11.159 1.00 0.84 O ATOM 756 CB LYS A 138 0.793 16.531 -13.972 1.00 0.99 C ATOM 757 CG LYS A 138 0.593 17.717 -14.918 1.00 1.57 C ATOM 758 CD LYS A 138 -0.378 17.323 -16.032 1.00 2.09 C ATOM 759 CE LYS A 138 -1.814 17.579 -15.570 1.00 2.74 C ATOM 760 NZ LYS A 138 -2.663 16.780 -16.498 1.00 3.43 N ATOM 0 H LYS A 138 2.320 17.816 -12.638 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.496 17.585 -12.558 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.837 16.217 -13.981 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.202 15.680 -14.309 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.203 18.573 -14.367 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.549 18.021 -15.345 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -0.167 17.898 -16.934 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.249 16.271 -16.287 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -1.958 17.267 -14.535 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -2.062 18.639 -15.621 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -3.664 16.903 -16.246 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -2.510 17.104 -17.474 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -2.408 15.774 -16.423 1.00 3.43 H new ATOM 774 N ASP A 139 0.873 14.723 -11.674 1.00 0.75 N ATOM 775 CA ASP A 139 0.562 13.494 -10.889 1.00 0.78 C ATOM 776 C ASP A 139 0.225 13.859 -9.441 1.00 0.70 C ATOM 777 O ASP A 139 -0.451 13.126 -8.747 1.00 0.81 O ATOM 778 CB ASP A 139 1.838 12.654 -10.945 1.00 0.97 C ATOM 779 CG ASP A 139 1.718 11.613 -12.060 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.004 11.876 -13.014 1.00 1.66 O ATOM 781 OD2 ASP A 139 2.343 10.572 -11.941 1.00 1.69 O ATOM 0 H ASP A 139 1.784 14.726 -12.134 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.298 12.958 -11.289 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.701 13.296 -11.124 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.002 12.159 -9.988 1.00 0.97 H new ATOM 786 N GLY A 140 0.694 14.986 -8.979 1.00 0.64 N ATOM 787 CA GLY A 140 0.403 15.394 -7.575 1.00 0.62 C ATOM 788 C GLY A 140 -1.007 15.983 -7.490 1.00 0.57 C ATOM 789 O GLY A 140 -1.848 15.498 -6.759 1.00 0.65 O ATOM 0 H GLY A 140 1.265 15.641 -9.512 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.489 14.534 -6.911 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.135 16.129 -7.241 1.00 0.62 H new ATOM 793 N ASP A 141 -1.271 17.026 -8.226 1.00 0.56 N ATOM 794 CA ASP A 141 -2.626 17.646 -8.180 1.00 0.56 C ATOM 795 C ASP A 141 -3.471 17.177 -9.367 1.00 0.58 C ATOM 796 O ASP A 141 -4.071 17.972 -10.064 1.00 0.64 O ATOM 797 CB ASP A 141 -2.376 19.151 -8.266 1.00 0.60 C ATOM 798 CG ASP A 141 -3.288 19.876 -7.276 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.327 19.329 -6.948 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.931 20.967 -6.862 1.00 1.23 O ATOM 0 H ASP A 141 -0.608 17.476 -8.857 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.171 17.371 -7.277 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.332 19.370 -8.043 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.567 19.505 -9.279 1.00 0.60 H new ATOM 805 N LYS A 142 -3.529 15.895 -9.603 1.00 0.62 N ATOM 806 CA LYS A 142 -4.342 15.391 -10.745 1.00 0.70 C ATOM 807 C LYS A 142 -5.751 15.984 -10.679 1.00 0.79 C ATOM 808 O LYS A 142 -6.408 16.164 -11.686 1.00 0.92 O ATOM 809 CB LYS A 142 -4.384 13.873 -10.567 1.00 0.79 C ATOM 810 CG LYS A 142 -3.575 13.207 -11.683 1.00 0.88 C ATOM 811 CD LYS A 142 -4.519 12.752 -12.799 1.00 1.37 C ATOM 812 CE LYS A 142 -4.214 11.299 -13.168 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.424 11.380 -14.429 1.00 2.44 N ATOM 0 H LYS A 142 -3.051 15.178 -9.057 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.922 15.670 -11.711 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -3.976 13.599 -9.594 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.415 13.521 -10.591 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.838 13.906 -12.079 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.025 12.353 -11.287 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.555 12.845 -12.473 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.401 13.392 -13.673 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.649 10.802 -12.380 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.131 10.727 -13.312 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -3.177 10.421 -14.746 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.989 11.852 -15.163 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.554 11.924 -14.259 1.00 2.44 H new ATOM 827 N ASN A 143 -6.218 16.296 -9.501 1.00 0.80 N ATOM 828 CA ASN A 143 -7.581 16.886 -9.371 1.00 0.95 C ATOM 829 C ASN A 143 -7.574 18.327 -9.885 1.00 0.92 C ATOM 830 O ASN A 143 -8.585 18.852 -10.308 1.00 1.08 O ATOM 831 CB ASN A 143 -7.886 16.852 -7.872 1.00 1.07 C ATOM 832 CG ASN A 143 -9.060 17.785 -7.567 1.00 1.36 C ATOM 833 OD1 ASN A 143 -10.056 17.775 -8.262 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.984 18.598 -6.548 1.00 1.70 N ATOM 0 H ASN A 143 -5.715 16.168 -8.623 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.328 16.342 -9.949 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.126 15.835 -7.562 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.007 17.159 -7.305 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.761 19.224 -6.336 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -8.148 18.607 -5.964 1.00 1.70 H new ATOM 841 N ASN A 144 -6.438 18.970 -9.851 1.00 0.86 N ATOM 842 CA ASN A 144 -6.359 20.379 -10.336 1.00 0.93 C ATOM 843 C ASN A 144 -7.131 21.306 -9.394 1.00 1.03 C ATOM 844 O ASN A 144 -8.162 21.845 -9.744 1.00 1.71 O ATOM 845 CB ASN A 144 -7.004 20.361 -11.723 1.00 1.08 C ATOM 846 CG ASN A 144 -6.196 21.245 -12.675 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.094 21.647 -12.361 1.00 2.18 O ATOM 848 ND2 ASN A 144 -6.702 21.566 -13.834 1.00 1.97 N ATOM 0 H ASN A 144 -5.560 18.580 -9.508 1.00 0.86 H new ATOM 0 HA ASN A 144 -5.333 20.746 -10.371 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -7.044 19.340 -12.104 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -8.032 20.719 -11.662 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -6.172 22.155 -14.477 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -7.628 21.228 -14.098 1.00 1.97 H new ATOM 855 N ASP A 145 -6.639 21.494 -8.200 1.00 0.88 N ATOM 856 CA ASP A 145 -7.343 22.386 -7.233 1.00 0.92 C ATOM 857 C ASP A 145 -6.454 23.580 -6.877 1.00 0.91 C ATOM 858 O ASP A 145 -6.912 24.572 -6.346 1.00 1.07 O ATOM 859 CB ASP A 145 -7.592 21.515 -6.001 1.00 0.93 C ATOM 860 CG ASP A 145 -6.280 21.312 -5.239 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.253 21.201 -5.887 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.326 21.272 -4.021 1.00 1.89 O ATOM 0 H ASP A 145 -5.780 21.069 -7.851 1.00 0.88 H new ATOM 0 HA ASP A 145 -8.270 22.790 -7.640 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.331 21.987 -5.353 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -8.002 20.551 -6.302 1.00 0.93 H new ATOM 867 N GLY A 146 -5.185 23.490 -7.165 1.00 0.84 N ATOM 868 CA GLY A 146 -4.265 24.616 -6.844 1.00 0.92 C ATOM 869 C GLY A 146 -3.435 24.263 -5.607 1.00 0.66 C ATOM 870 O GLY A 146 -2.653 25.059 -5.126 1.00 0.74 O ATOM 0 H GLY A 146 -4.745 22.684 -7.609 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.608 24.815 -7.691 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.837 25.526 -6.663 1.00 0.92 H new ATOM 874 N ARG A 147 -3.599 23.077 -5.087 1.00 0.56 N ATOM 875 CA ARG A 147 -2.819 22.678 -3.880 1.00 0.54 C ATOM 876 C ARG A 147 -2.663 21.156 -3.829 1.00 0.46 C ATOM 877 O ARG A 147 -3.497 20.420 -4.320 1.00 0.45 O ATOM 878 CB ARG A 147 -3.644 23.179 -2.694 1.00 0.77 C ATOM 879 CG ARG A 147 -3.519 24.702 -2.600 1.00 1.39 C ATOM 880 CD ARG A 147 -4.087 25.186 -1.265 1.00 1.79 C ATOM 881 NE ARG A 147 -2.906 25.685 -0.507 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.055 26.571 0.441 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.244 27.016 0.748 1.00 3.10 N ATOM 884 NH2 ARG A 147 -2.012 27.011 1.088 1.00 3.37 N ATOM 0 H ARG A 147 -4.239 22.368 -5.445 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.812 23.096 -3.880 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.689 22.895 -2.817 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.294 22.716 -1.771 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.473 24.997 -2.689 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.054 25.172 -3.425 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.825 25.975 -1.412 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.587 24.377 -0.731 1.00 1.79 H new ATOM 0 HE ARG A 147 -1.975 25.333 -0.730 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.063 26.672 0.246 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -4.354 27.708 1.489 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -1.082 26.663 0.853 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -2.126 27.703 1.829 1.00 3.37 H new ATOM 898 N ILE A 148 -1.599 20.678 -3.244 1.00 0.49 N ATOM 899 CA ILE A 148 -1.386 19.203 -3.167 1.00 0.44 C ATOM 900 C ILE A 148 -1.518 18.720 -1.718 1.00 0.46 C ATOM 901 O ILE A 148 -0.659 18.958 -0.893 1.00 0.63 O ATOM 902 CB ILE A 148 0.038 18.988 -3.682 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.208 19.719 -5.018 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.290 17.492 -3.882 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.481 19.233 -5.717 1.00 0.63 C ATOM 0 H ILE A 148 -0.867 21.245 -2.816 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.120 18.646 -3.749 1.00 0.44 H new ATOM 0 HB ILE A 148 0.752 19.380 -2.957 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.659 19.539 -5.654 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.262 20.795 -4.850 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.305 17.340 -4.249 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.166 16.972 -2.932 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.421 17.097 -4.608 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.597 19.756 -6.666 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.344 19.436 -5.083 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.409 18.161 -5.900 1.00 0.63 H new ATOM 917 N ASP A 149 -2.590 18.042 -1.405 1.00 0.48 N ATOM 918 CA ASP A 149 -2.778 17.543 -0.010 1.00 0.53 C ATOM 919 C ASP A 149 -2.140 16.159 0.147 1.00 0.53 C ATOM 920 O ASP A 149 -1.612 15.599 -0.794 1.00 0.63 O ATOM 921 CB ASP A 149 -4.294 17.463 0.179 1.00 0.58 C ATOM 922 CG ASP A 149 -4.645 17.776 1.635 1.00 1.05 C ATOM 923 OD1 ASP A 149 -3.934 18.561 2.240 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.620 17.226 2.120 1.00 1.84 O ATOM 0 H ASP A 149 -3.343 17.812 -2.053 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.309 18.192 0.730 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.792 18.169 -0.486 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.652 16.468 -0.087 1.00 0.58 H new ATOM 929 N TYR A 150 -2.182 15.603 1.328 1.00 0.58 N ATOM 930 CA TYR A 150 -1.575 14.257 1.540 1.00 0.60 C ATOM 931 C TYR A 150 -2.375 13.189 0.790 1.00 0.59 C ATOM 932 O TYR A 150 -1.836 12.438 0.001 1.00 0.63 O ATOM 933 CB TYR A 150 -1.648 14.016 3.049 1.00 0.73 C ATOM 934 CG TYR A 150 -1.206 12.604 3.351 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.227 11.994 2.557 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.775 11.905 4.422 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.182 10.684 2.835 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.365 10.595 4.699 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.386 9.985 3.906 1.00 1.48 C ATOM 940 OH TYR A 150 0.017 8.694 4.178 1.00 1.96 O ATOM 0 H TYR A 150 -2.610 16.022 2.154 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.551 14.208 1.169 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.012 14.729 3.574 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.666 14.175 3.405 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.212 12.533 1.731 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -2.530 12.376 5.034 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.936 10.213 2.222 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -1.804 10.055 5.525 1.00 1.43 H new ATOM 0 HH TYR A 150 -0.475 8.354 4.954 1.00 1.96 H new ATOM 950 N ASP A 151 -3.655 13.112 1.031 1.00 0.64 N ATOM 951 CA ASP A 151 -4.485 12.088 0.332 1.00 0.70 C ATOM 952 C ASP A 151 -4.226 12.135 -1.177 1.00 0.63 C ATOM 953 O ASP A 151 -4.461 11.177 -1.886 1.00 0.77 O ATOM 954 CB ASP A 151 -5.933 12.471 0.640 1.00 0.79 C ATOM 955 CG ASP A 151 -6.831 11.243 0.481 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.723 10.345 1.301 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.611 11.220 -0.457 1.00 1.90 O ATOM 0 H ASP A 151 -4.162 13.713 1.681 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.253 11.075 0.662 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.009 12.861 1.655 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.261 13.264 -0.032 1.00 0.79 H new ATOM 962 N GLU A 152 -3.745 13.242 -1.673 1.00 0.54 N ATOM 963 CA GLU A 152 -3.474 13.346 -3.137 1.00 0.56 C ATOM 964 C GLU A 152 -2.002 13.038 -3.427 1.00 0.52 C ATOM 965 O GLU A 152 -1.671 12.424 -4.421 1.00 0.65 O ATOM 966 CB GLU A 152 -3.799 14.796 -3.498 1.00 0.60 C ATOM 967 CG GLU A 152 -5.311 15.015 -3.430 1.00 0.77 C ATOM 968 CD GLU A 152 -5.740 15.970 -4.546 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.898 16.316 -5.358 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.903 16.338 -4.570 1.00 1.40 O ATOM 0 H GLU A 152 -3.528 14.078 -1.130 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.066 12.638 -3.717 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.292 15.475 -2.812 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.433 15.023 -4.499 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.832 14.063 -3.532 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.586 15.427 -2.459 1.00 0.77 H new ATOM 977 N PHE A 153 -1.117 13.461 -2.566 1.00 0.46 N ATOM 978 CA PHE A 153 0.333 13.193 -2.795 1.00 0.46 C ATOM 979 C PHE A 153 0.563 11.702 -3.058 1.00 0.50 C ATOM 980 O PHE A 153 1.441 11.323 -3.809 1.00 0.64 O ATOM 981 CB PHE A 153 1.025 13.619 -1.500 1.00 0.49 C ATOM 982 CG PHE A 153 2.518 13.444 -1.647 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.228 14.229 -2.563 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.192 12.496 -0.868 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.612 14.065 -2.700 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.575 12.332 -1.005 1.00 0.61 C ATOM 987 CZ PHE A 153 5.286 13.117 -1.921 1.00 0.68 C ATOM 0 H PHE A 153 -1.334 13.980 -1.715 1.00 0.46 H new ATOM 0 HA PHE A 153 0.718 13.731 -3.661 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.790 14.659 -1.275 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.658 13.022 -0.665 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.709 14.961 -3.164 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.644 11.891 -0.161 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.160 14.670 -3.407 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.094 11.600 -0.404 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.353 12.991 -2.026 1.00 0.68 H new ATOM 997 N LEU A 154 -0.214 10.853 -2.444 1.00 0.53 N ATOM 998 CA LEU A 154 -0.035 9.388 -2.658 1.00 0.62 C ATOM 999 C LEU A 154 -0.258 9.034 -4.131 1.00 0.65 C ATOM 1000 O LEU A 154 0.392 8.162 -4.674 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.097 8.726 -1.779 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.841 9.080 -0.313 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.706 8.194 0.585 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.636 8.848 0.017 1.00 1.20 C ATOM 0 H LEU A 154 -0.965 11.110 -1.803 1.00 0.53 H new ATOM 0 HA LEU A 154 0.971 9.055 -2.403 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.091 9.061 -2.077 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.072 7.644 -1.912 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.093 10.127 -0.144 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.523 8.446 1.630 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -2.758 8.356 0.351 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.454 7.147 0.415 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.819 9.100 1.061 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.887 7.801 -0.153 1.00 1.20 H new ATOM 0 HD23 LEU A 154 1.255 9.478 -0.622 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.171 9.701 -4.782 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.433 9.398 -6.219 1.00 0.81 C ATOM 1018 C GLU A 155 -0.220 9.785 -7.070 1.00 0.76 C ATOM 1019 O GLU A 155 -0.121 9.423 -8.226 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.645 10.254 -6.589 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.888 9.365 -6.680 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.401 9.058 -5.272 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.050 9.791 -4.363 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -5.136 8.096 -5.128 1.00 2.77 O ATOM 0 H GLU A 155 -1.747 10.442 -4.382 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.616 8.337 -6.392 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.796 11.033 -5.841 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.473 10.755 -7.541 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.664 9.865 -7.260 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.648 8.438 -7.201 1.00 1.41 H new ATOM 1031 N PHE A 156 0.702 10.515 -6.507 1.00 0.66 N ATOM 1032 CA PHE A 156 1.908 10.925 -7.283 1.00 0.77 C ATOM 1033 C PHE A 156 3.030 9.898 -7.097 1.00 0.71 C ATOM 1034 O PHE A 156 3.726 9.549 -8.029 1.00 0.88 O ATOM 1035 CB PHE A 156 2.311 12.281 -6.698 1.00 0.84 C ATOM 1036 CG PHE A 156 3.730 12.604 -7.099 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.800 12.059 -6.381 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.975 13.447 -8.189 1.00 1.09 C ATOM 1039 CE1 PHE A 156 6.116 12.357 -6.753 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.291 13.746 -8.561 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.362 13.200 -7.843 1.00 1.53 C ATOM 0 H PHE A 156 0.673 10.846 -5.543 1.00 0.66 H new ATOM 0 HA PHE A 156 1.713 10.987 -8.354 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.635 13.058 -7.056 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.225 12.260 -5.612 1.00 0.84 H new ATOM 0 HD1 PHE A 156 4.611 11.409 -5.540 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.149 13.867 -8.743 1.00 1.09 H new ATOM 0 HE1 PHE A 156 6.942 11.936 -6.199 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.480 14.397 -9.401 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.378 13.429 -8.130 1.00 1.53 H new ATOM 1051 N MET A 157 3.211 9.414 -5.898 1.00 0.61 N ATOM 1052 CA MET A 157 4.288 8.412 -5.652 1.00 0.69 C ATOM 1053 C MET A 157 3.867 7.038 -6.183 1.00 0.83 C ATOM 1054 O MET A 157 4.625 6.089 -6.146 1.00 1.17 O ATOM 1055 CB MET A 157 4.451 8.371 -4.132 1.00 0.84 C ATOM 1056 CG MET A 157 4.960 9.725 -3.635 1.00 0.92 C ATOM 1057 SD MET A 157 6.511 10.133 -4.471 1.00 1.56 S ATOM 1058 CE MET A 157 7.485 10.476 -2.985 1.00 0.90 C ATOM 0 H MET A 157 2.660 9.669 -5.078 1.00 0.61 H new ATOM 0 HA MET A 157 5.218 8.675 -6.156 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.498 8.134 -3.660 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.150 7.583 -3.852 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.216 10.498 -3.829 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.114 9.694 -2.556 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.164 11.306 -3.179 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.817 10.738 -2.165 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.061 9.591 -2.715 1.00 0.90 H new ATOM 1068 N LYS A 158 2.663 6.924 -6.674 1.00 0.86 N ATOM 1069 CA LYS A 158 2.194 5.610 -7.202 1.00 1.07 C ATOM 1070 C LYS A 158 2.861 5.306 -8.547 1.00 1.36 C ATOM 1071 O LYS A 158 2.771 4.208 -9.060 1.00 1.73 O ATOM 1072 CB LYS A 158 0.683 5.772 -7.378 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.007 4.433 -7.114 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.259 3.717 -8.442 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.457 2.221 -8.187 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.830 1.925 -8.681 1.00 3.52 N ATOM 0 H LYS A 158 1.984 7.683 -6.733 1.00 0.86 H new ATOM 0 HA LYS A 158 2.443 4.786 -6.534 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.305 6.530 -6.691 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.458 6.116 -8.388 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.614 3.813 -6.467 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.950 4.595 -6.591 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.140 4.133 -8.930 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.583 3.873 -9.117 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.289 1.628 -8.716 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.359 1.985 -7.127 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.040 0.916 -8.540 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.520 2.499 -8.155 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.891 2.153 -9.694 1.00 3.52 H new ATOM 1090 N GLY A 159 3.530 6.268 -9.122 1.00 1.73 N ATOM 1091 CA GLY A 159 4.201 6.031 -10.433 1.00 2.35 C ATOM 1092 C GLY A 159 5.683 5.725 -10.205 1.00 2.13 C ATOM 1093 O GLY A 159 6.429 5.496 -11.137 1.00 2.59 O ATOM 0 H GLY A 159 3.641 7.208 -8.741 1.00 1.73 H new ATOM 0 HA2 GLY A 159 3.724 5.200 -10.952 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.095 6.908 -11.071 1.00 2.35 H new ATOM 1097 N VAL A 160 6.117 5.718 -8.974 1.00 1.87 N ATOM 1098 CA VAL A 160 7.551 5.426 -8.690 1.00 1.87 C ATOM 1099 C VAL A 160 7.760 3.918 -8.534 1.00 2.39 C ATOM 1100 O VAL A 160 8.756 3.471 -8.000 1.00 3.11 O ATOM 1101 CB VAL A 160 7.849 6.149 -7.378 1.00 1.68 C ATOM 1102 CG1 VAL A 160 9.335 6.008 -7.042 1.00 1.89 C ATOM 1103 CG2 VAL A 160 7.500 7.632 -7.523 1.00 1.76 C ATOM 0 H VAL A 160 5.541 5.902 -8.153 1.00 1.87 H new ATOM 0 HA VAL A 160 8.209 5.756 -9.494 1.00 1.87 H new ATOM 0 HB VAL A 160 7.252 5.710 -6.579 1.00 1.68 H new ATOM 0 HG11 VAL A 160 9.547 6.524 -6.106 1.00 1.89 H new ATOM 0 HG12 VAL A 160 9.586 4.952 -6.939 1.00 1.89 H new ATOM 0 HG13 VAL A 160 9.932 6.447 -7.841 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.712 8.149 -6.587 1.00 1.76 H new ATOM 0 HG22 VAL A 160 8.097 8.070 -8.323 1.00 1.76 H new ATOM 0 HG23 VAL A 160 6.442 7.735 -7.762 1.00 1.76 H new ATOM 1113 N GLU A 161 6.828 3.130 -8.996 1.00 2.52 N ATOM 1114 CA GLU A 161 6.972 1.651 -8.875 1.00 3.28 C ATOM 1115 C GLU A 161 6.502 0.968 -10.162 1.00 3.90 C ATOM 1116 O GLU A 161 5.332 0.632 -10.238 1.00 4.34 O ATOM 1117 CB GLU A 161 6.074 1.259 -7.701 1.00 3.49 C ATOM 1118 CG GLU A 161 6.854 1.399 -6.392 1.00 4.11 C ATOM 1119 CD GLU A 161 5.948 1.033 -5.215 1.00 4.29 C ATOM 1120 OE1 GLU A 161 5.486 -0.096 -5.178 1.00 4.60 O ATOM 1121 OE2 GLU A 161 5.732 1.887 -4.371 1.00 4.56 O ATOM 1122 OXT GLU A 161 7.321 0.794 -11.050 1.00 4.37 O ATOM 0 H GLU A 161 5.972 3.446 -9.452 1.00 2.52 H new ATOM 0 HA GLU A 161 8.007 1.349 -8.714 1.00 3.28 H new ATOM 0 HB2 GLU A 161 5.189 1.894 -7.679 1.00 3.49 H new ATOM 0 HB3 GLU A 161 5.727 0.233 -7.822 1.00 3.49 H new ATOM 0 HG2 GLU A 161 7.729 0.749 -6.407 1.00 4.11 H new ATOM 0 HG3 GLU A 161 7.218 2.421 -6.281 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 2.801 24.934 0.969 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.649 18.706 -4.808 1.00 0.75 CA HETATM 1132 O1 KDH A 1 10.608 7.952 -10.452 1.00 2.83 O HETATM 1133 C3 KDH A 1 9.827 8.861 -9.804 1.00 2.40 C HETATM 1134 C6 KDH A 1 8.625 9.330 -10.441 1.00 3.09 C HETATM 1135 O7 KDH A 1 8.292 8.863 -11.682 1.00 4.04 O HETATM 1136 C9 KDH A 1 7.763 10.290 -9.785 1.00 2.99 C HETATM 1137 O10 KDH A 1 6.634 10.712 -10.423 1.00 3.91 O HETATM 1138 C12 KDH A 1 8.111 10.784 -8.473 1.00 2.07 C HETATM 1139 C14 KDH A 1 9.316 10.312 -7.826 1.00 1.26 C HETATM 1140 C15 KDH A 1 9.598 10.808 -6.546 1.00 0.94 C HETATM 1141 C20 KDH A 1 11.079 10.380 -4.567 1.00 2.17 C HETATM 1142 C21 KDH A 1 11.639 9.431 -3.637 1.00 3.11 C HETATM 1143 C24 KDH A 1 12.396 9.906 -2.511 1.00 3.89 C HETATM 1144 C26 KDH A 1 12.549 11.314 -2.264 1.00 3.84 C HETATM 1145 C29 KDH A 1 11.953 12.270 -3.176 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.147 11.813 -4.283 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.116 12.276 -6.560 1.00 0.94 C HETATM 1148 C36 KDH A 1 11.113 13.165 -8.528 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.490 12.535 -9.710 1.00 1.49 C HETATM 1150 C39 KDH A 1 12.885 12.547 -10.109 1.00 1.87 C HETATM 1151 C41 KDH A 1 10.498 11.885 -10.528 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.403 12.735 -5.094 1.00 1.46 C HETATM 1153 O01 KDH A 1 10.484 9.925 -5.738 1.00 1.58 O HETATM 1154 O02 KDH A 1 12.980 9.009 -1.663 1.00 4.80 O HETATM 1155 O03 KDH A 1 12.157 13.603 -2.983 1.00 3.24 O HETATM 1156 C4 KDH A 1 10.186 9.355 -8.496 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.291 12.425 -7.392 1.00 1.29 O HETATM 1158 O37 KDH A 1 10.653 14.311 -8.546 1.00 2.52 O HETATM 1159 C43 KDH A 1 10.869 11.362 -11.818 1.00 2.26 C HETATM 1160 O44 KDH A 1 9.939 10.817 -12.665 1.00 3.22 O HETATM 1161 C46 KDH A 1 12.248 11.407 -12.241 1.00 2.00 C HETATM 1162 O47 KDH A 1 12.609 10.881 -13.445 1.00 2.49 O HETATM 1163 C49 KDH A 1 13.260 12.013 -11.394 1.00 2.11 C HETATM 1164 O50 KDH A 1 14.550 12.062 -11.843 1.00 3.03 O HETATM 0 HO50 KDH A 1 14.599 11.671 -12.740 1.00 3.03 H new HETATM 0 HO47 KDH A 1 13.266 10.167 -13.306 1.00 2.49 H new HETATM 0 HO44 KDH A 1 10.388 10.233 -13.312 1.00 3.22 H new HETATM 0 HO10 KDH A 1 6.238 11.459 -9.928 1.00 3.91 H new HETATM 0 HO03 KDH A 1 11.803 13.865 -2.108 1.00 3.24 H new HETATM 0 HO02 KDH A 1 13.456 9.491 -0.955 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.450 12.934 -4.603 1.00 1.46 H new HETATM 0 HO7 KDH A 1 8.754 9.392 -12.365 1.00 4.04 H new HETATM 0 HO1 KDH A 1 10.251 7.796 -11.351 1.00 2.83 H new HETATM 0 H41 KDH A 1 9.472 11.789 -10.173 1.00 2.05 H new HETATM 0 H4 KDH A 1 11.102 9.014 -8.013 1.00 1.50 H new HETATM 0 H39 KDH A 1 13.643 12.957 -9.442 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.344 12.912 -6.993 1.00 0.94 H new HETATM 0 H26 KDH A 1 13.110 11.661 -1.396 1.00 3.84 H new HETATM 0 H21 KDH A 1 11.489 8.362 -3.787 1.00 3.11 H new HETATM 0 H15 KDH A 1 8.632 10.813 -6.041 1.00 0.94 H new HETATM 0 H12 KDH A 1 7.469 11.509 -7.973 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.947 13.679 -5.129 1.00 1.46 H new