USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 412 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 147 CYS SG : rot 74:sc= 1.29 USER MOD Set 1.2: A 156 CYS SG : rot 169:sc= 1.04 USER MOD Set 1.3: A 162 CYS SG : rot -154:sc= 1.54 USER MOD Set 1.4: A 166 HIS : no HE2:sc= -0.449 K(o=3.4,f=-11!) USER MOD Set 2.1: A 104 CYS SG : rot 109:sc= 2.3 USER MOD Set 2.2: A 113 CYS SG : rot 128:sc= 0.886 USER MOD Set 2.3: A 119 CYS SG : rot -98:sc= 1.56 USER MOD Set 2.4: A 123 HIS : no HD1:sc= 0.468 K(o=5.2,f=-6.4!) USER MOD Single : A 100 LYS NZ :NH3+ -107:sc= 0.688 (180deg=-0.188) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00476 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 149:sc= -1.29 (180deg=-2.74!) USER MOD Single : A 110 SER OG : rot -66:sc= 0.383 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 126 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-1.7) USER MOD Single : A 149 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0113) USER MOD Single : A 151 SER OG : rot -82:sc= 0.281 USER MOD Single : A 152 MET CE :methyl -143:sc= -0.493 (180deg=-2.29!) USER MOD Single : A 153 THR OG1 : rot -1:sc= 1.17 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00509) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0.692 K(o=0.69,f=-6.4!) USER MOD Single : A 167 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00969) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.559 8.545 10.479 1.00 14.11 N ATOM 37 CA PHE A 99 -0.281 7.934 9.451 1.00 52.31 C ATOM 38 C PHE A 99 -0.432 8.829 8.213 1.00 53.24 C ATOM 39 O PHE A 99 -0.686 10.036 8.317 1.00 33.02 O ATOM 40 CB PHE A 99 -1.671 7.586 10.038 1.00 5.12 C ATOM 41 CG PHE A 99 -1.631 6.414 11.016 1.00 40.54 C ATOM 42 CD1 PHE A 99 -1.776 5.110 10.549 1.00 53.23 C ATOM 43 CD2 PHE A 99 -1.438 6.609 12.386 1.00 5.42 C ATOM 44 CE1 PHE A 99 -1.733 4.040 11.409 1.00 23.33 C ATOM 45 CE2 PHE A 99 -1.396 5.531 13.252 1.00 30.01 C ATOM 46 CZ PHE A 99 -1.545 4.247 12.763 1.00 14.34 C ATOM 0 HA PHE A 99 0.215 7.020 9.126 1.00 52.31 H new ATOM 0 HB2 PHE A 99 -2.074 8.462 10.546 1.00 5.12 H new ATOM 0 HB3 PHE A 99 -2.354 7.348 9.223 1.00 5.12 H new ATOM 0 HD1 PHE A 99 -1.925 4.937 9.493 1.00 53.23 H new ATOM 0 HD2 PHE A 99 -1.321 7.611 12.772 1.00 5.42 H new ATOM 0 HE1 PHE A 99 -1.846 3.036 11.027 1.00 23.33 H new ATOM 0 HE2 PHE A 99 -1.247 5.693 14.309 1.00 30.01 H new ATOM 0 HZ PHE A 99 -1.515 3.405 13.439 1.00 14.34 H new ATOM 56 N LYS A 100 -0.233 8.178 7.054 1.00 43.44 N ATOM 57 CA LYS A 100 -0.508 8.699 5.698 1.00 63.01 C ATOM 58 C LYS A 100 0.400 9.897 5.336 1.00 60.40 C ATOM 59 O LYS A 100 0.125 10.621 4.382 1.00 44.32 O ATOM 60 CB LYS A 100 -2.029 9.047 5.521 1.00 15.24 C ATOM 61 CG LYS A 100 -3.028 7.958 6.017 1.00 1.12 C ATOM 62 CD LYS A 100 -2.733 6.541 5.464 1.00 43.24 C ATOM 63 CE LYS A 100 -3.751 5.485 5.942 1.00 41.11 C ATOM 64 NZ LYS A 100 -5.132 5.793 5.475 1.00 60.02 N ATOM 0 H LYS A 100 0.141 7.229 7.033 1.00 43.44 H new ATOM 0 HA LYS A 100 -0.267 7.903 4.993 1.00 63.01 H new ATOM 0 HB2 LYS A 100 -2.236 9.975 6.054 1.00 15.24 H new ATOM 0 HB3 LYS A 100 -2.220 9.237 4.465 1.00 15.24 H new ATOM 0 HG2 LYS A 100 -3.004 7.925 7.106 1.00 1.12 H new ATOM 0 HG3 LYS A 100 -4.039 8.247 5.729 1.00 1.12 H new ATOM 0 HD2 LYS A 100 -2.736 6.574 4.375 1.00 43.24 H new ATOM 0 HD3 LYS A 100 -1.732 6.238 5.771 1.00 43.24 H new ATOM 0 HE2 LYS A 100 -3.454 4.503 5.575 1.00 41.11 H new ATOM 0 HE3 LYS A 100 -3.739 5.436 7.031 1.00 41.11 H new ATOM 0 HZ1 LYS A 100 -5.703 6.129 6.277 1.00 60.02 H new ATOM 0 HZ2 LYS A 100 -5.095 6.531 4.744 1.00 60.02 H new ATOM 0 HZ3 LYS A 100 -5.564 4.934 5.078 1.00 60.02 H new ATOM 78 N THR A 101 1.504 10.054 6.078 1.00 41.50 N ATOM 79 CA THR A 101 2.443 11.176 5.919 1.00 23.45 C ATOM 80 C THR A 101 3.253 11.075 4.617 1.00 15.35 C ATOM 81 O THR A 101 3.579 12.092 3.990 1.00 13.52 O ATOM 82 CB THR A 101 3.405 11.232 7.141 1.00 12.22 C ATOM 83 OG1 THR A 101 4.010 9.940 7.343 1.00 42.35 O ATOM 84 CG2 THR A 101 2.659 11.652 8.413 1.00 3.25 C ATOM 0 H THR A 101 1.774 9.400 6.813 1.00 41.50 H new ATOM 0 HA THR A 101 1.856 12.093 5.866 1.00 23.45 H new ATOM 0 HB THR A 101 4.176 11.974 6.933 1.00 12.22 H new ATOM 0 HG1 THR A 101 4.616 9.979 8.112 1.00 42.35 H new ATOM 0 HG21 THR A 101 3.356 11.682 9.250 1.00 3.25 H new ATOM 0 HG22 THR A 101 2.222 12.640 8.269 1.00 3.25 H new ATOM 0 HG23 THR A 101 1.868 10.933 8.625 1.00 3.25 H new ATOM 92 N ALA A 102 3.562 9.837 4.230 1.00 44.12 N ATOM 93 CA ALA A 102 4.323 9.521 3.015 1.00 63.34 C ATOM 94 C ALA A 102 3.559 8.479 2.197 1.00 60.01 C ATOM 95 O ALA A 102 2.682 7.785 2.732 1.00 12.32 O ATOM 96 CB ALA A 102 5.727 9.012 3.382 1.00 41.54 C ATOM 0 H ALA A 102 3.287 9.010 4.759 1.00 44.12 H new ATOM 0 HA ALA A 102 4.442 10.423 2.414 1.00 63.34 H new ATOM 0 HB1 ALA A 102 6.280 8.782 2.471 1.00 41.54 H new ATOM 0 HB2 ALA A 102 6.257 9.781 3.944 1.00 41.54 H new ATOM 0 HB3 ALA A 102 5.640 8.112 3.991 1.00 41.54 H new ATOM 102 N LEU A 103 3.891 8.376 0.902 1.00 24.51 N ATOM 103 CA LEU A 103 3.269 7.404 -0.007 1.00 51.41 C ATOM 104 C LEU A 103 3.746 5.970 0.300 1.00 13.34 C ATOM 105 O LEU A 103 4.857 5.758 0.805 1.00 45.11 O ATOM 106 CB LEU A 103 3.561 7.779 -1.483 1.00 52.13 C ATOM 107 CG LEU A 103 2.895 9.092 -1.996 1.00 33.34 C ATOM 108 CD1 LEU A 103 3.294 9.388 -3.456 1.00 24.43 C ATOM 109 CD2 LEU A 103 1.358 9.031 -1.840 1.00 13.22 C ATOM 0 H LEU A 103 4.597 8.963 0.457 1.00 24.51 H new ATOM 0 HA LEU A 103 2.191 7.435 0.150 1.00 51.41 H new ATOM 0 HB2 LEU A 103 4.640 7.869 -1.608 1.00 52.13 H new ATOM 0 HB3 LEU A 103 3.234 6.956 -2.118 1.00 52.13 H new ATOM 0 HG LEU A 103 3.262 9.913 -1.381 1.00 33.34 H new ATOM 0 HD11 LEU A 103 2.814 10.310 -3.785 1.00 24.43 H new ATOM 0 HD12 LEU A 103 4.376 9.499 -3.522 1.00 24.43 H new ATOM 0 HD13 LEU A 103 2.974 8.565 -4.095 1.00 24.43 H new ATOM 0 HD21 LEU A 103 0.918 9.959 -2.205 1.00 13.22 H new ATOM 0 HD22 LEU A 103 0.967 8.193 -2.416 1.00 13.22 H new ATOM 0 HD23 LEU A 103 1.104 8.898 -0.788 1.00 13.22 H new ATOM 121 N CYS A 104 2.882 5.003 -0.023 1.00 41.02 N ATOM 122 CA CYS A 104 3.090 3.581 0.259 1.00 23.53 C ATOM 123 C CYS A 104 3.897 2.942 -0.879 1.00 0.31 C ATOM 124 O CYS A 104 3.406 2.827 -2.011 1.00 0.22 O ATOM 125 CB CYS A 104 1.700 2.923 0.422 1.00 12.45 C ATOM 126 SG CYS A 104 1.666 1.146 0.824 1.00 61.31 S ATOM 0 H CYS A 104 1.999 5.192 -0.498 1.00 41.02 H new ATOM 0 HA CYS A 104 3.660 3.438 1.177 1.00 23.53 H new ATOM 0 HB2 CYS A 104 1.162 3.457 1.205 1.00 12.45 H new ATOM 0 HB3 CYS A 104 1.145 3.071 -0.504 1.00 12.45 H new ATOM 0 HG CYS A 104 1.268 0.986 2.051 1.00 61.31 H new ATOM 131 N ASP A 105 5.148 2.559 -0.563 1.00 21.35 N ATOM 132 CA ASP A 105 6.065 1.890 -1.502 1.00 71.13 C ATOM 133 C ASP A 105 5.478 0.547 -1.947 1.00 61.31 C ATOM 134 O ASP A 105 5.450 0.239 -3.139 1.00 22.43 O ATOM 135 CB ASP A 105 7.458 1.679 -0.844 1.00 23.34 C ATOM 136 CG ASP A 105 8.440 0.873 -1.726 1.00 5.05 C ATOM 137 OD1 ASP A 105 8.721 -0.309 -1.415 1.00 1.13 O ATOM 138 OD2 ASP A 105 8.920 1.416 -2.743 1.00 73.12 O ATOM 0 H ASP A 105 5.554 2.707 0.361 1.00 21.35 H new ATOM 0 HA ASP A 105 6.190 2.526 -2.379 1.00 71.13 H new ATOM 0 HB2 ASP A 105 7.897 2.651 -0.621 1.00 23.34 H new ATOM 0 HB3 ASP A 105 7.328 1.162 0.107 1.00 23.34 H new ATOM 143 N ALA A 106 4.969 -0.207 -0.957 1.00 64.12 N ATOM 144 CA ALA A 106 4.380 -1.544 -1.163 1.00 64.13 C ATOM 145 C ALA A 106 3.187 -1.498 -2.132 1.00 72.43 C ATOM 146 O ALA A 106 2.991 -2.420 -2.933 1.00 70.33 O ATOM 147 CB ALA A 106 3.964 -2.141 0.184 1.00 72.31 C ATOM 0 H ALA A 106 4.954 0.096 0.017 1.00 64.12 H new ATOM 0 HA ALA A 106 5.138 -2.182 -1.618 1.00 64.13 H new ATOM 0 HB1 ALA A 106 3.530 -3.128 0.026 1.00 72.31 H new ATOM 0 HB2 ALA A 106 4.838 -2.228 0.829 1.00 72.31 H new ATOM 0 HB3 ALA A 106 3.227 -1.492 0.658 1.00 72.31 H new ATOM 153 N TYR A 107 2.414 -0.399 -2.051 1.00 24.43 N ATOM 154 CA TYR A 107 1.296 -0.133 -2.961 1.00 33.20 C ATOM 155 C TYR A 107 1.811 0.054 -4.392 1.00 42.03 C ATOM 156 O TYR A 107 1.516 -0.748 -5.252 1.00 14.31 O ATOM 157 CB TYR A 107 0.516 1.124 -2.502 1.00 63.41 C ATOM 158 CG TYR A 107 -0.647 1.560 -3.416 1.00 54.35 C ATOM 159 CD1 TYR A 107 -1.846 0.842 -3.462 1.00 22.41 C ATOM 160 CD2 TYR A 107 -0.543 2.697 -4.228 1.00 54.11 C ATOM 161 CE1 TYR A 107 -2.887 1.239 -4.282 1.00 64.33 C ATOM 162 CE2 TYR A 107 -1.581 3.094 -5.047 1.00 23.35 C ATOM 163 CZ TYR A 107 -2.751 2.364 -5.071 1.00 33.35 C ATOM 164 OH TYR A 107 -3.789 2.760 -5.891 1.00 61.55 O ATOM 0 H TYR A 107 2.552 0.328 -1.349 1.00 24.43 H new ATOM 0 HA TYR A 107 0.620 -0.988 -2.942 1.00 33.20 H new ATOM 0 HB2 TYR A 107 0.119 0.939 -1.504 1.00 63.41 H new ATOM 0 HB3 TYR A 107 1.218 1.954 -2.417 1.00 63.41 H new ATOM 0 HD1 TYR A 107 -1.961 -0.038 -2.847 1.00 22.41 H new ATOM 0 HD2 TYR A 107 0.369 3.275 -4.213 1.00 54.11 H new ATOM 0 HE1 TYR A 107 -3.805 0.670 -4.305 1.00 64.33 H new ATOM 0 HE2 TYR A 107 -1.477 3.973 -5.666 1.00 23.35 H new ATOM 0 HH TYR A 107 -3.531 3.570 -6.378 1.00 61.55 H new ATOM 174 N LYS A 108 2.637 1.093 -4.591 1.00 4.30 N ATOM 175 CA LYS A 108 3.032 1.578 -5.929 1.00 33.35 C ATOM 176 C LYS A 108 3.855 0.544 -6.727 1.00 32.45 C ATOM 177 O LYS A 108 3.673 0.415 -7.945 1.00 65.04 O ATOM 178 CB LYS A 108 3.816 2.906 -5.785 1.00 12.42 C ATOM 179 CG LYS A 108 2.991 4.059 -5.169 1.00 4.43 C ATOM 180 CD LYS A 108 3.783 5.380 -4.981 1.00 74.13 C ATOM 181 CE LYS A 108 4.869 5.316 -3.879 1.00 0.25 C ATOM 182 NZ LYS A 108 6.084 4.553 -4.273 1.00 51.30 N ATOM 0 H LYS A 108 3.053 1.625 -3.827 1.00 4.30 H new ATOM 0 HA LYS A 108 2.118 1.745 -6.500 1.00 33.35 H new ATOM 0 HB2 LYS A 108 4.696 2.731 -5.166 1.00 12.42 H new ATOM 0 HB3 LYS A 108 4.174 3.213 -6.768 1.00 12.42 H new ATOM 0 HG2 LYS A 108 2.128 4.254 -5.806 1.00 4.43 H new ATOM 0 HG3 LYS A 108 2.607 3.738 -4.201 1.00 4.43 H new ATOM 0 HD2 LYS A 108 4.256 5.645 -5.927 1.00 74.13 H new ATOM 0 HD3 LYS A 108 3.083 6.180 -4.740 1.00 74.13 H new ATOM 0 HE2 LYS A 108 5.161 6.331 -3.611 1.00 0.25 H new ATOM 0 HE3 LYS A 108 4.440 4.861 -2.986 1.00 0.25 H new ATOM 0 HZ1 LYS A 108 6.915 4.952 -3.792 1.00 51.30 H new ATOM 0 HZ2 LYS A 108 5.971 3.556 -4.000 1.00 51.30 H new ATOM 0 HZ3 LYS A 108 6.216 4.617 -5.303 1.00 51.30 H new ATOM 196 N ARG A 109 4.733 -0.204 -6.027 1.00 63.00 N ATOM 197 CA ARG A 109 5.668 -1.161 -6.664 1.00 45.34 C ATOM 198 C ARG A 109 4.919 -2.351 -7.308 1.00 4.24 C ATOM 199 O ARG A 109 5.340 -2.866 -8.349 1.00 20.41 O ATOM 200 CB ARG A 109 6.737 -1.659 -5.641 1.00 42.44 C ATOM 201 CG ARG A 109 6.215 -2.579 -4.514 1.00 61.01 C ATOM 202 CD ARG A 109 7.289 -2.874 -3.450 1.00 0.34 C ATOM 203 NE ARG A 109 6.803 -3.803 -2.408 1.00 10.33 N ATOM 204 CZ ARG A 109 7.305 -3.913 -1.163 1.00 32.34 C ATOM 205 NH1 ARG A 109 8.318 -3.152 -0.767 1.00 41.20 N ATOM 206 NH2 ARG A 109 6.788 -4.791 -0.318 1.00 62.34 N ATOM 0 H ARG A 109 4.816 -0.164 -5.011 1.00 63.00 H new ATOM 0 HA ARG A 109 6.184 -0.631 -7.465 1.00 45.34 H new ATOM 0 HB2 ARG A 109 7.515 -2.192 -6.188 1.00 42.44 H new ATOM 0 HB3 ARG A 109 7.208 -0.789 -5.184 1.00 42.44 H new ATOM 0 HG2 ARG A 109 5.354 -2.111 -4.037 1.00 61.01 H new ATOM 0 HG3 ARG A 109 5.869 -3.518 -4.946 1.00 61.01 H new ATOM 0 HD2 ARG A 109 8.169 -3.300 -3.933 1.00 0.34 H new ATOM 0 HD3 ARG A 109 7.602 -1.940 -2.984 1.00 0.34 H new ATOM 0 HE ARG A 109 6.022 -4.412 -2.652 1.00 10.33 H new ATOM 0 HH11 ARG A 109 8.727 -2.473 -1.409 1.00 41.20 H new ATOM 0 HH12 ARG A 109 8.688 -3.247 0.179 1.00 41.20 H new ATOM 0 HH21 ARG A 109 6.011 -5.383 -0.610 1.00 62.34 H new ATOM 0 HH22 ARG A 109 7.167 -4.875 0.625 1.00 62.34 H new ATOM 220 N SER A 110 3.799 -2.771 -6.688 1.00 65.15 N ATOM 221 CA SER A 110 2.969 -3.897 -7.180 1.00 44.23 C ATOM 222 C SER A 110 1.573 -3.422 -7.653 1.00 31.22 C ATOM 223 O SER A 110 0.760 -4.243 -8.099 1.00 13.11 O ATOM 224 CB SER A 110 2.848 -4.956 -6.064 1.00 63.34 C ATOM 225 OG SER A 110 2.289 -4.403 -4.887 1.00 72.20 O ATOM 0 H SER A 110 3.442 -2.343 -5.834 1.00 65.15 H new ATOM 0 HA SER A 110 3.456 -4.338 -8.050 1.00 44.23 H new ATOM 0 HB2 SER A 110 2.227 -5.782 -6.410 1.00 63.34 H new ATOM 0 HB3 SER A 110 3.833 -5.368 -5.843 1.00 63.34 H new ATOM 0 HG SER A 110 2.911 -3.748 -4.506 1.00 72.20 H new ATOM 231 N GLN A 111 1.312 -2.094 -7.526 1.00 23.22 N ATOM 232 CA GLN A 111 0.036 -1.425 -7.917 1.00 11.15 C ATOM 233 C GLN A 111 -1.151 -1.854 -7.012 1.00 31.14 C ATOM 234 O GLN A 111 -2.322 -1.641 -7.363 1.00 5.42 O ATOM 235 CB GLN A 111 -0.275 -1.611 -9.433 1.00 74.42 C ATOM 236 CG GLN A 111 0.760 -0.950 -10.369 1.00 73.00 C ATOM 237 CD GLN A 111 0.445 -1.141 -11.853 1.00 0.12 C ATOM 238 OE1 GLN A 111 -0.259 -0.334 -12.463 1.00 74.41 O ATOM 239 NE2 GLN A 111 0.961 -2.211 -12.439 1.00 61.23 N ATOM 0 H GLN A 111 1.996 -1.442 -7.141 1.00 23.22 H new ATOM 0 HA GLN A 111 0.174 -0.356 -7.755 1.00 11.15 H new ATOM 0 HB2 GLN A 111 -0.324 -2.677 -9.656 1.00 74.42 H new ATOM 0 HB3 GLN A 111 -1.260 -1.196 -9.646 1.00 74.42 H new ATOM 0 HG2 GLN A 111 0.808 0.117 -10.150 1.00 73.00 H new ATOM 0 HG3 GLN A 111 1.746 -1.364 -10.158 1.00 73.00 H new ATOM 0 HE21 GLN A 111 1.539 -2.857 -11.902 1.00 61.23 H new ATOM 0 HE22 GLN A 111 0.780 -2.389 -13.427 1.00 61.23 H new ATOM 248 N ALA A 112 -0.817 -2.399 -5.824 1.00 21.44 N ATOM 249 CA ALA A 112 -1.785 -2.833 -4.796 1.00 60.40 C ATOM 250 C ALA A 112 -1.049 -3.031 -3.456 1.00 65.52 C ATOM 251 O ALA A 112 0.084 -3.521 -3.438 1.00 52.24 O ATOM 252 CB ALA A 112 -2.500 -4.130 -5.221 1.00 30.32 C ATOM 0 H ALA A 112 0.153 -2.553 -5.547 1.00 21.44 H new ATOM 0 HA ALA A 112 -2.547 -2.062 -4.679 1.00 60.40 H new ATOM 0 HB1 ALA A 112 -3.207 -4.427 -4.446 1.00 30.32 H new ATOM 0 HB2 ALA A 112 -3.036 -3.961 -6.155 1.00 30.32 H new ATOM 0 HB3 ALA A 112 -1.764 -4.921 -5.363 1.00 30.32 H new ATOM 258 N CYS A 113 -1.684 -2.633 -2.340 1.00 33.34 N ATOM 259 CA CYS A 113 -1.113 -2.785 -0.985 1.00 44.20 C ATOM 260 C CYS A 113 -1.818 -3.944 -0.263 1.00 11.43 C ATOM 261 O CYS A 113 -3.053 -3.961 -0.175 1.00 43.41 O ATOM 262 CB CYS A 113 -1.269 -1.464 -0.204 1.00 52.32 C ATOM 263 SG CYS A 113 -0.510 -1.413 1.457 1.00 11.21 S ATOM 0 H CYS A 113 -2.606 -2.197 -2.349 1.00 33.34 H new ATOM 0 HA CYS A 113 -0.050 -3.015 -1.052 1.00 44.20 H new ATOM 0 HB2 CYS A 113 -0.839 -0.660 -0.802 1.00 52.32 H new ATOM 0 HB3 CYS A 113 -2.333 -1.251 -0.101 1.00 52.32 H new ATOM 0 HG CYS A 113 0.256 -0.367 1.552 1.00 11.21 H new ATOM 268 N SER A 114 -1.019 -4.899 0.253 1.00 14.10 N ATOM 269 CA SER A 114 -1.521 -6.124 0.908 1.00 53.45 C ATOM 270 C SER A 114 -2.283 -5.801 2.209 1.00 41.53 C ATOM 271 O SER A 114 -3.281 -6.453 2.537 1.00 71.12 O ATOM 272 CB SER A 114 -0.332 -7.066 1.193 1.00 32.43 C ATOM 273 OG SER A 114 0.647 -6.424 1.996 1.00 74.15 O ATOM 0 H SER A 114 -0.001 -4.842 0.227 1.00 14.10 H new ATOM 0 HA SER A 114 -2.227 -6.615 0.238 1.00 53.45 H new ATOM 0 HB2 SER A 114 -0.688 -7.964 1.697 1.00 32.43 H new ATOM 0 HB3 SER A 114 0.117 -7.385 0.252 1.00 32.43 H new ATOM 0 HG SER A 114 1.389 -7.042 2.164 1.00 74.15 H new ATOM 279 N TYR A 115 -1.789 -4.779 2.933 1.00 63.34 N ATOM 280 CA TYR A 115 -2.391 -4.303 4.186 1.00 73.10 C ATOM 281 C TYR A 115 -3.715 -3.567 3.912 1.00 3.00 C ATOM 282 O TYR A 115 -4.692 -3.725 4.661 1.00 41.43 O ATOM 283 CB TYR A 115 -1.398 -3.377 4.928 1.00 74.33 C ATOM 284 CG TYR A 115 -0.069 -4.051 5.304 1.00 42.24 C ATOM 285 CD1 TYR A 115 1.056 -3.963 4.474 1.00 54.43 C ATOM 286 CD2 TYR A 115 0.055 -4.786 6.485 1.00 73.41 C ATOM 287 CE1 TYR A 115 2.245 -4.580 4.812 1.00 14.12 C ATOM 288 CE2 TYR A 115 1.244 -5.402 6.824 1.00 3.00 C ATOM 289 CZ TYR A 115 2.335 -5.298 5.986 1.00 61.52 C ATOM 290 OH TYR A 115 3.522 -5.913 6.324 1.00 34.52 O ATOM 0 H TYR A 115 -0.955 -4.259 2.660 1.00 63.34 H new ATOM 0 HA TYR A 115 -2.610 -5.164 4.817 1.00 73.10 H new ATOM 0 HB2 TYR A 115 -1.188 -2.511 4.301 1.00 74.33 H new ATOM 0 HB3 TYR A 115 -1.874 -3.006 5.836 1.00 74.33 H new ATOM 0 HD1 TYR A 115 0.993 -3.403 3.553 1.00 54.43 H new ATOM 0 HD2 TYR A 115 -0.795 -4.874 7.146 1.00 73.41 H new ATOM 0 HE1 TYR A 115 3.101 -4.500 4.159 1.00 14.12 H new ATOM 0 HE2 TYR A 115 1.319 -5.964 7.743 1.00 3.00 H new ATOM 0 HH TYR A 115 3.418 -6.376 7.181 1.00 34.52 H new ATOM 300 N GLY A 116 -3.727 -2.770 2.825 1.00 25.54 N ATOM 301 CA GLY A 116 -4.903 -2.001 2.413 1.00 5.20 C ATOM 302 C GLY A 116 -5.328 -0.956 3.448 1.00 64.12 C ATOM 303 O GLY A 116 -4.737 0.123 3.523 1.00 63.11 O ATOM 0 H GLY A 116 -2.920 -2.646 2.214 1.00 25.54 H new ATOM 0 HA2 GLY A 116 -4.691 -1.502 1.467 1.00 5.20 H new ATOM 0 HA3 GLY A 116 -5.733 -2.685 2.234 1.00 5.20 H new ATOM 307 N ASP A 117 -6.344 -1.295 4.264 1.00 53.53 N ATOM 308 CA ASP A 117 -6.868 -0.404 5.328 1.00 55.35 C ATOM 309 C ASP A 117 -5.970 -0.435 6.574 1.00 62.11 C ATOM 310 O ASP A 117 -5.976 0.505 7.375 1.00 41.32 O ATOM 311 CB ASP A 117 -8.322 -0.796 5.699 1.00 12.31 C ATOM 312 CG ASP A 117 -9.301 -0.605 4.528 1.00 61.23 C ATOM 313 OD1 ASP A 117 -9.713 0.549 4.267 1.00 42.23 O ATOM 314 OD2 ASP A 117 -9.649 -1.599 3.850 1.00 0.15 O ATOM 0 H ASP A 117 -6.827 -2.192 4.208 1.00 53.53 H new ATOM 0 HA ASP A 117 -6.868 0.614 4.940 1.00 55.35 H new ATOM 0 HB2 ASP A 117 -8.343 -1.837 6.020 1.00 12.31 H new ATOM 0 HB3 ASP A 117 -8.652 -0.195 6.546 1.00 12.31 H new ATOM 319 N GLN A 118 -5.197 -1.524 6.727 1.00 44.43 N ATOM 320 CA GLN A 118 -4.222 -1.676 7.828 1.00 24.22 C ATOM 321 C GLN A 118 -2.847 -1.081 7.451 1.00 74.41 C ATOM 322 O GLN A 118 -1.861 -1.296 8.165 1.00 73.33 O ATOM 323 CB GLN A 118 -4.077 -3.173 8.213 1.00 51.01 C ATOM 324 CG GLN A 118 -5.364 -3.816 8.770 1.00 15.10 C ATOM 325 CD GLN A 118 -5.158 -5.239 9.300 1.00 52.11 C ATOM 326 OE1 GLN A 118 -4.300 -5.979 8.820 1.00 23.44 O ATOM 327 NE2 GLN A 118 -5.949 -5.634 10.287 1.00 53.11 N ATOM 0 H GLN A 118 -5.228 -2.323 6.094 1.00 44.43 H new ATOM 0 HA GLN A 118 -4.598 -1.123 8.688 1.00 24.22 H new ATOM 0 HB2 GLN A 118 -3.757 -3.732 7.334 1.00 51.01 H new ATOM 0 HB3 GLN A 118 -3.286 -3.269 8.957 1.00 51.01 H new ATOM 0 HG2 GLN A 118 -5.754 -3.191 9.573 1.00 15.10 H new ATOM 0 HG3 GLN A 118 -6.120 -3.835 7.985 1.00 15.10 H new ATOM 0 HE21 GLN A 118 -6.651 -4.997 10.664 1.00 53.11 H new ATOM 0 HE22 GLN A 118 -5.856 -6.575 10.670 1.00 53.11 H new ATOM 336 N CYS A 119 -2.785 -0.339 6.327 1.00 21.34 N ATOM 337 CA CYS A 119 -1.552 0.324 5.868 1.00 74.02 C ATOM 338 C CYS A 119 -1.406 1.696 6.550 1.00 20.33 C ATOM 339 O CYS A 119 -2.377 2.458 6.639 1.00 0.44 O ATOM 340 CB CYS A 119 -1.564 0.474 4.330 1.00 12.02 C ATOM 341 SG CYS A 119 -0.025 1.142 3.619 1.00 75.42 S ATOM 0 H CYS A 119 -3.586 -0.184 5.715 1.00 21.34 H new ATOM 0 HA CYS A 119 -0.695 -0.291 6.143 1.00 74.02 H new ATOM 0 HB2 CYS A 119 -1.761 -0.501 3.885 1.00 12.02 H new ATOM 0 HB3 CYS A 119 -2.391 1.126 4.048 1.00 12.02 H new ATOM 0 HG CYS A 119 -0.162 2.418 3.410 1.00 75.42 H new ATOM 346 N ARG A 120 -0.190 1.987 7.035 1.00 43.32 N ATOM 347 CA ARG A 120 0.124 3.234 7.766 1.00 1.22 C ATOM 348 C ARG A 120 0.623 4.347 6.819 1.00 72.45 C ATOM 349 O ARG A 120 0.891 5.463 7.267 1.00 73.40 O ATOM 350 CB ARG A 120 1.181 2.944 8.867 1.00 24.11 C ATOM 351 CG ARG A 120 2.515 2.370 8.340 1.00 13.13 C ATOM 352 CD ARG A 120 3.546 2.121 9.454 1.00 13.40 C ATOM 353 NE ARG A 120 3.060 1.156 10.464 1.00 12.24 N ATOM 354 CZ ARG A 120 3.822 0.552 11.395 1.00 35.41 C ATOM 355 NH1 ARG A 120 5.130 0.788 11.469 1.00 72.03 N ATOM 356 NH2 ARG A 120 3.263 -0.290 12.252 1.00 53.44 N ATOM 0 H ARG A 120 0.611 1.364 6.933 1.00 43.32 H new ATOM 0 HA ARG A 120 -0.795 3.593 8.229 1.00 1.22 H new ATOM 0 HB2 ARG A 120 1.386 3.868 9.408 1.00 24.11 H new ATOM 0 HB3 ARG A 120 0.756 2.242 9.585 1.00 24.11 H new ATOM 0 HG2 ARG A 120 2.320 1.433 7.818 1.00 13.13 H new ATOM 0 HG3 ARG A 120 2.937 3.060 7.610 1.00 13.13 H new ATOM 0 HD2 ARG A 120 4.470 1.748 9.013 1.00 13.40 H new ATOM 0 HD3 ARG A 120 3.785 3.066 9.943 1.00 13.40 H new ATOM 0 HE ARG A 120 2.066 0.929 10.454 1.00 12.24 H new ATOM 0 HH11 ARG A 120 5.569 1.435 10.814 1.00 72.03 H new ATOM 0 HH12 ARG A 120 5.693 0.322 12.181 1.00 72.03 H new ATOM 0 HH21 ARG A 120 2.261 -0.477 12.204 1.00 53.44 H new ATOM 0 HH22 ARG A 120 3.834 -0.751 12.960 1.00 53.44 H new ATOM 370 N PHE A 121 0.758 4.032 5.517 1.00 73.31 N ATOM 371 CA PHE A 121 1.185 5.000 4.482 1.00 53.32 C ATOM 372 C PHE A 121 0.048 5.240 3.471 1.00 4.03 C ATOM 373 O PHE A 121 -0.800 4.360 3.257 1.00 11.01 O ATOM 374 CB PHE A 121 2.462 4.503 3.758 1.00 43.21 C ATOM 375 CG PHE A 121 3.718 4.477 4.630 1.00 31.13 C ATOM 376 CD1 PHE A 121 4.417 5.654 4.902 1.00 43.14 C ATOM 377 CD2 PHE A 121 4.201 3.283 5.172 1.00 32.02 C ATOM 378 CE1 PHE A 121 5.556 5.638 5.683 1.00 41.45 C ATOM 379 CE2 PHE A 121 5.341 3.269 5.956 1.00 53.13 C ATOM 380 CZ PHE A 121 6.017 4.446 6.210 1.00 5.11 C ATOM 0 H PHE A 121 0.574 3.098 5.150 1.00 73.31 H new ATOM 0 HA PHE A 121 1.419 5.945 4.972 1.00 53.32 H new ATOM 0 HB2 PHE A 121 2.280 3.498 3.376 1.00 43.21 H new ATOM 0 HB3 PHE A 121 2.647 5.143 2.896 1.00 43.21 H new ATOM 0 HD1 PHE A 121 4.062 6.590 4.496 1.00 43.14 H new ATOM 0 HD2 PHE A 121 3.678 2.359 4.976 1.00 32.02 H new ATOM 0 HE1 PHE A 121 6.087 6.557 5.882 1.00 41.45 H new ATOM 0 HE2 PHE A 121 5.702 2.339 6.369 1.00 53.13 H new ATOM 0 HZ PHE A 121 6.907 4.435 6.821 1.00 5.11 H new ATOM 390 N ALA A 122 0.059 6.437 2.854 1.00 40.02 N ATOM 391 CA ALA A 122 -0.998 6.901 1.939 1.00 41.35 C ATOM 392 C ALA A 122 -0.940 6.194 0.579 1.00 72.42 C ATOM 393 O ALA A 122 0.137 5.964 0.035 1.00 4.15 O ATOM 394 CB ALA A 122 -0.896 8.413 1.750 1.00 1.22 C ATOM 0 H ALA A 122 0.811 7.115 2.979 1.00 40.02 H new ATOM 0 HA ALA A 122 -1.957 6.651 2.393 1.00 41.35 H new ATOM 0 HB1 ALA A 122 -1.681 8.749 1.072 1.00 1.22 H new ATOM 0 HB2 ALA A 122 -1.012 8.909 2.714 1.00 1.22 H new ATOM 0 HB3 ALA A 122 0.078 8.662 1.329 1.00 1.22 H new ATOM 400 N HIS A 123 -2.122 5.882 0.030 1.00 31.33 N ATOM 401 CA HIS A 123 -2.273 5.186 -1.267 1.00 45.44 C ATOM 402 C HIS A 123 -2.643 6.176 -2.390 1.00 72.41 C ATOM 403 O HIS A 123 -3.279 5.804 -3.384 1.00 54.22 O ATOM 404 CB HIS A 123 -3.344 4.073 -1.111 1.00 45.13 C ATOM 405 CG HIS A 123 -2.938 2.956 -0.188 1.00 61.22 C ATOM 406 ND1 HIS A 123 -3.797 1.984 0.261 1.00 3.35 N ATOM 407 CD2 HIS A 123 -1.718 2.635 0.316 1.00 30.05 C ATOM 408 CE1 HIS A 123 -3.097 1.130 1.004 1.00 13.22 C ATOM 409 NE2 HIS A 123 -1.813 1.475 1.069 1.00 54.22 N ATOM 0 H HIS A 123 -3.013 6.106 0.474 1.00 31.33 H new ATOM 0 HA HIS A 123 -1.324 4.733 -1.552 1.00 45.44 H new ATOM 0 HB2 HIS A 123 -4.266 4.520 -0.739 1.00 45.13 H new ATOM 0 HB3 HIS A 123 -3.565 3.656 -2.093 1.00 45.13 H new ATOM 0 HD2 HIS A 123 -0.811 3.199 0.154 1.00 30.05 H new ATOM 0 HE1 HIS A 123 -3.518 0.264 1.493 1.00 13.22 H new ATOM 0 HE2 HIS A 123 -1.063 0.992 1.564 1.00 54.22 H new ATOM 417 N GLY A 124 -2.187 7.425 -2.234 1.00 62.14 N ATOM 418 CA GLY A 124 -2.429 8.484 -3.209 1.00 34.42 C ATOM 419 C GLY A 124 -2.111 9.853 -2.634 1.00 11.11 C ATOM 420 O GLY A 124 -1.968 9.996 -1.411 1.00 12.21 O ATOM 0 H GLY A 124 -1.640 7.725 -1.427 1.00 62.14 H new ATOM 0 HA2 GLY A 124 -1.819 8.310 -4.096 1.00 34.42 H new ATOM 0 HA3 GLY A 124 -3.471 8.455 -3.528 1.00 34.42 H new ATOM 424 N VAL A 125 -2.007 10.862 -3.515 1.00 71.22 N ATOM 425 CA VAL A 125 -1.750 12.266 -3.117 1.00 11.42 C ATOM 426 C VAL A 125 -2.958 12.818 -2.343 1.00 74.43 C ATOM 427 O VAL A 125 -2.812 13.561 -1.366 1.00 52.41 O ATOM 428 CB VAL A 125 -1.455 13.178 -4.367 1.00 4.15 C ATOM 429 CG1 VAL A 125 -1.066 14.621 -3.956 1.00 40.34 C ATOM 430 CG2 VAL A 125 -0.371 12.542 -5.264 1.00 61.33 C ATOM 0 H VAL A 125 -2.098 10.733 -4.523 1.00 71.22 H new ATOM 0 HA VAL A 125 -0.867 12.277 -2.478 1.00 11.42 H new ATOM 0 HB VAL A 125 -2.378 13.250 -4.943 1.00 4.15 H new ATOM 0 HG11 VAL A 125 -0.872 15.214 -4.850 1.00 40.34 H new ATOM 0 HG12 VAL A 125 -1.883 15.071 -3.392 1.00 40.34 H new ATOM 0 HG13 VAL A 125 -0.170 14.594 -3.337 1.00 40.34 H new ATOM 0 HG21 VAL A 125 -0.183 13.188 -6.121 1.00 61.33 H new ATOM 0 HG22 VAL A 125 0.549 12.420 -4.692 1.00 61.33 H new ATOM 0 HG23 VAL A 125 -0.713 11.567 -5.613 1.00 61.33 H new ATOM 440 N HIS A 126 -4.152 12.402 -2.790 1.00 24.12 N ATOM 441 CA HIS A 126 -5.426 12.757 -2.153 1.00 5.04 C ATOM 442 C HIS A 126 -5.542 12.113 -0.748 1.00 50.42 C ATOM 443 O HIS A 126 -6.204 12.644 0.138 1.00 51.14 O ATOM 444 CB HIS A 126 -6.607 12.291 -3.053 1.00 72.45 C ATOM 445 CG HIS A 126 -6.755 10.784 -3.164 1.00 24.30 C ATOM 446 ND1 HIS A 126 -5.747 9.996 -3.671 1.00 20.14 N ATOM 447 CD2 HIS A 126 -7.781 9.982 -2.775 1.00 70.43 C ATOM 448 CE1 HIS A 126 -6.176 8.750 -3.576 1.00 11.21 C ATOM 449 NE2 HIS A 126 -7.399 8.693 -3.041 1.00 73.01 N ATOM 0 H HIS A 126 -4.260 11.805 -3.610 1.00 24.12 H new ATOM 0 HA HIS A 126 -5.465 13.840 -2.033 1.00 5.04 H new ATOM 0 HB2 HIS A 126 -7.534 12.707 -2.659 1.00 72.45 H new ATOM 0 HB3 HIS A 126 -6.472 12.705 -4.052 1.00 72.45 H new ATOM 0 HD2 HIS A 126 -8.717 10.299 -2.340 1.00 70.43 H new ATOM 0 HE1 HIS A 126 -5.609 7.886 -3.891 1.00 11.21 H new ATOM 0 HE2 HIS A 126 -7.945 7.850 -2.864 1.00 73.01 H new ATOM 457 N GLU A 127 -4.866 10.960 -0.588 1.00 52.15 N ATOM 458 CA GLU A 127 -4.925 10.106 0.618 1.00 1.32 C ATOM 459 C GLU A 127 -3.896 10.592 1.681 1.00 23.31 C ATOM 460 O GLU A 127 -3.961 10.188 2.851 1.00 41.44 O ATOM 461 CB GLU A 127 -4.667 8.616 0.165 1.00 30.02 C ATOM 462 CG GLU A 127 -5.542 7.529 0.839 1.00 73.02 C ATOM 463 CD GLU A 127 -5.086 7.108 2.246 1.00 15.54 C ATOM 464 OE1 GLU A 127 -5.586 7.655 3.249 1.00 34.04 O ATOM 465 OE2 GLU A 127 -4.232 6.203 2.351 1.00 65.41 O ATOM 0 H GLU A 127 -4.249 10.586 -1.309 1.00 52.15 H new ATOM 0 HA GLU A 127 -5.904 10.168 1.094 1.00 1.32 H new ATOM 0 HB2 GLU A 127 -4.818 8.556 -0.913 1.00 30.02 H new ATOM 0 HB3 GLU A 127 -3.620 8.378 0.354 1.00 30.02 H new ATOM 0 HG2 GLU A 127 -6.567 7.895 0.900 1.00 73.02 H new ATOM 0 HG3 GLU A 127 -5.556 6.647 0.199 1.00 73.02 H new ATOM 472 N LEU A 128 -2.958 11.473 1.249 1.00 12.20 N ATOM 473 CA LEU A 128 -1.885 12.023 2.109 1.00 72.25 C ATOM 474 C LEU A 128 -2.436 12.868 3.278 1.00 25.42 C ATOM 475 O LEU A 128 -3.193 13.822 3.073 1.00 41.13 O ATOM 476 CB LEU A 128 -0.876 12.885 1.276 1.00 41.34 C ATOM 477 CG LEU A 128 0.194 12.111 0.437 1.00 51.13 C ATOM 478 CD1 LEU A 128 0.970 13.062 -0.500 1.00 62.30 C ATOM 479 CD2 LEU A 128 1.175 11.350 1.356 1.00 52.12 C ATOM 0 H LEU A 128 -2.927 11.821 0.291 1.00 12.20 H new ATOM 0 HA LEU A 128 -1.366 11.162 2.530 1.00 72.25 H new ATOM 0 HB2 LEU A 128 -1.449 13.515 0.596 1.00 41.34 H new ATOM 0 HB3 LEU A 128 -0.352 13.551 1.962 1.00 41.34 H new ATOM 0 HG LEU A 128 -0.338 11.386 -0.178 1.00 51.13 H new ATOM 0 HD11 LEU A 128 1.705 12.493 -1.068 1.00 62.30 H new ATOM 0 HD12 LEU A 128 0.274 13.544 -1.187 1.00 62.30 H new ATOM 0 HD13 LEU A 128 1.479 13.822 0.093 1.00 62.30 H new ATOM 0 HD21 LEU A 128 1.908 10.821 0.747 1.00 52.12 H new ATOM 0 HD22 LEU A 128 1.688 12.058 2.007 1.00 52.12 H new ATOM 0 HD23 LEU A 128 0.623 10.633 1.964 1.00 52.12 H new ATOM 491 N ARG A 129 -2.049 12.475 4.498 1.00 51.53 N ATOM 492 CA ARG A 129 -2.112 13.310 5.704 1.00 32.02 C ATOM 493 C ARG A 129 -0.663 13.618 6.100 1.00 21.44 C ATOM 494 O ARG A 129 -0.112 13.008 7.018 1.00 13.03 O ATOM 495 CB ARG A 129 -2.907 12.594 6.860 1.00 54.54 C ATOM 496 CG ARG A 129 -4.373 13.048 7.029 1.00 63.52 C ATOM 497 CD ARG A 129 -5.216 12.892 5.755 1.00 54.41 C ATOM 498 NE ARG A 129 -5.363 11.489 5.331 1.00 4.03 N ATOM 499 CZ ARG A 129 -6.308 10.644 5.782 1.00 25.41 C ATOM 500 NH1 ARG A 129 -7.209 11.030 6.683 1.00 2.42 N ATOM 501 NH2 ARG A 129 -6.369 9.421 5.303 1.00 53.54 N ATOM 0 H ARG A 129 -1.674 11.544 4.678 1.00 51.53 H new ATOM 0 HA ARG A 129 -2.655 14.235 5.512 1.00 32.02 H new ATOM 0 HB2 ARG A 129 -2.895 11.520 6.676 1.00 54.54 H new ATOM 0 HB3 ARG A 129 -2.381 12.762 7.800 1.00 54.54 H new ATOM 0 HG2 ARG A 129 -4.833 12.471 7.832 1.00 63.52 H new ATOM 0 HG3 ARG A 129 -4.388 14.093 7.338 1.00 63.52 H new ATOM 0 HD2 ARG A 129 -6.204 13.320 5.925 1.00 54.41 H new ATOM 0 HD3 ARG A 129 -4.756 13.463 4.949 1.00 54.41 H new ATOM 0 HE ARG A 129 -4.699 11.131 4.644 1.00 4.03 H new ATOM 0 HH11 ARG A 129 -7.192 11.983 7.045 1.00 2.42 H new ATOM 0 HH12 ARG A 129 -7.917 10.372 7.011 1.00 2.42 H new ATOM 0 HH21 ARG A 129 -5.702 9.117 4.593 1.00 53.54 H new ATOM 0 HH22 ARG A 129 -7.083 8.776 5.641 1.00 53.54 H new ATOM 772 N VAL A 145 27.926 30.322 11.467 1.00 5.43 N ATOM 773 CA VAL A 145 28.954 30.027 12.479 1.00 63.22 C ATOM 774 C VAL A 145 29.592 31.354 12.945 1.00 52.12 C ATOM 775 O VAL A 145 29.799 32.260 12.128 1.00 23.32 O ATOM 776 CB VAL A 145 30.057 29.058 11.889 1.00 62.43 C ATOM 777 CG1 VAL A 145 31.196 28.784 12.900 1.00 21.41 C ATOM 778 CG2 VAL A 145 29.433 27.724 11.389 1.00 4.20 C ATOM 0 HA VAL A 145 28.492 29.526 13.329 1.00 63.22 H new ATOM 0 HB VAL A 145 30.497 29.571 11.034 1.00 62.43 H new ATOM 0 HG11 VAL A 145 31.929 28.114 12.450 1.00 21.41 H new ATOM 0 HG12 VAL A 145 31.679 29.724 13.167 1.00 21.41 H new ATOM 0 HG13 VAL A 145 30.783 28.321 13.796 1.00 21.41 H new ATOM 0 HG21 VAL A 145 30.218 27.082 10.990 1.00 4.20 H new ATOM 0 HG22 VAL A 145 28.939 27.220 12.219 1.00 4.20 H new ATOM 0 HG23 VAL A 145 28.704 27.934 10.607 1.00 4.20 H new ATOM 788 N LEU A 146 29.896 31.452 14.258 1.00 25.41 N ATOM 789 CA LEU A 146 30.500 32.656 14.873 1.00 72.41 C ATOM 790 C LEU A 146 31.976 32.810 14.460 1.00 5.33 C ATOM 791 O LEU A 146 32.617 31.847 14.021 1.00 34.33 O ATOM 792 CB LEU A 146 30.378 32.599 16.423 1.00 53.31 C ATOM 793 CG LEU A 146 28.930 32.505 16.995 1.00 74.42 C ATOM 794 CD1 LEU A 146 28.937 32.491 18.541 1.00 45.32 C ATOM 795 CD2 LEU A 146 28.036 33.637 16.439 1.00 12.34 C ATOM 0 H LEU A 146 29.729 30.697 14.923 1.00 25.41 H new ATOM 0 HA LEU A 146 29.953 33.526 14.510 1.00 72.41 H new ATOM 0 HB2 LEU A 146 30.944 31.739 16.780 1.00 53.31 H new ATOM 0 HB3 LEU A 146 30.853 33.488 16.837 1.00 53.31 H new ATOM 0 HG LEU A 146 28.502 31.559 16.665 1.00 74.42 H new ATOM 0 HD11 LEU A 146 27.913 32.425 18.909 1.00 45.32 H new ATOM 0 HD12 LEU A 146 29.506 31.631 18.894 1.00 45.32 H new ATOM 0 HD13 LEU A 146 29.397 33.407 18.911 1.00 45.32 H new ATOM 0 HD21 LEU A 146 27.033 33.546 16.855 1.00 12.34 H new ATOM 0 HD22 LEU A 146 28.458 34.603 16.716 1.00 12.34 H new ATOM 0 HD23 LEU A 146 27.986 33.561 15.353 1.00 12.34 H new ATOM 807 N CYS A 147 32.497 34.039 14.613 1.00 50.44 N ATOM 808 CA CYS A 147 33.869 34.396 14.224 1.00 43.20 C ATOM 809 C CYS A 147 34.892 33.779 15.193 1.00 25.51 C ATOM 810 O CYS A 147 34.934 34.140 16.379 1.00 50.23 O ATOM 811 CB CYS A 147 33.989 35.933 14.168 1.00 60.33 C ATOM 812 SG CYS A 147 35.473 36.582 13.322 1.00 42.14 S ATOM 0 H CYS A 147 31.973 34.817 15.013 1.00 50.44 H new ATOM 0 HA CYS A 147 34.088 33.990 13.236 1.00 43.20 H new ATOM 0 HB2 CYS A 147 33.106 36.330 13.668 1.00 60.33 H new ATOM 0 HB3 CYS A 147 33.978 36.317 15.188 1.00 60.33 H new ATOM 0 HG CYS A 147 35.347 36.419 12.038 1.00 42.14 H new ATOM 817 N ASP A 148 35.716 32.858 14.659 1.00 74.33 N ATOM 818 CA ASP A 148 36.726 32.108 15.431 1.00 20.12 C ATOM 819 C ASP A 148 37.817 33.051 15.965 1.00 35.25 C ATOM 820 O ASP A 148 38.372 32.833 17.037 1.00 63.21 O ATOM 821 CB ASP A 148 37.351 30.988 14.549 1.00 33.02 C ATOM 822 CG ASP A 148 38.191 31.522 13.367 1.00 33.00 C ATOM 823 OD1 ASP A 148 39.442 31.424 13.405 1.00 70.35 O ATOM 824 OD2 ASP A 148 37.601 32.054 12.399 1.00 63.55 O ATOM 0 H ASP A 148 35.699 32.611 13.670 1.00 74.33 H new ATOM 0 HA ASP A 148 36.234 31.645 16.287 1.00 20.12 H new ATOM 0 HB2 ASP A 148 37.981 30.355 15.174 1.00 33.02 H new ATOM 0 HB3 ASP A 148 36.552 30.357 14.159 1.00 33.02 H new ATOM 829 N LYS A 149 38.100 34.105 15.191 1.00 22.24 N ATOM 830 CA LYS A 149 39.083 35.133 15.551 1.00 20.43 C ATOM 831 C LYS A 149 38.558 36.022 16.694 1.00 72.24 C ATOM 832 O LYS A 149 39.293 36.368 17.618 1.00 30.02 O ATOM 833 CB LYS A 149 39.417 35.980 14.295 1.00 71.43 C ATOM 834 CG LYS A 149 40.031 35.184 13.100 1.00 35.44 C ATOM 835 CD LYS A 149 41.585 35.089 13.114 1.00 73.24 C ATOM 836 CE LYS A 149 42.170 34.233 14.250 1.00 35.25 C ATOM 837 NZ LYS A 149 43.657 34.208 14.218 1.00 52.12 N ATOM 0 H LYS A 149 37.650 34.270 14.291 1.00 22.24 H new ATOM 0 HA LYS A 149 39.992 34.650 15.909 1.00 20.43 H new ATOM 0 HB2 LYS A 149 38.505 36.470 13.954 1.00 71.43 H new ATOM 0 HB3 LYS A 149 40.114 36.768 14.582 1.00 71.43 H new ATOM 0 HG2 LYS A 149 39.619 34.175 13.103 1.00 35.44 H new ATOM 0 HG3 LYS A 149 39.717 35.654 12.168 1.00 35.44 H new ATOM 0 HD2 LYS A 149 41.918 34.679 12.161 1.00 73.24 H new ATOM 0 HD3 LYS A 149 41.996 36.096 13.189 1.00 73.24 H new ATOM 0 HE2 LYS A 149 41.834 34.626 15.210 1.00 35.25 H new ATOM 0 HE3 LYS A 149 41.788 33.215 14.171 1.00 35.25 H new ATOM 0 HZ1 LYS A 149 44.010 33.580 14.968 1.00 52.12 H new ATOM 0 HZ2 LYS A 149 43.978 33.857 13.293 1.00 52.12 H new ATOM 0 HZ3 LYS A 149 44.024 35.169 14.370 1.00 52.12 H new ATOM 851 N PHE A 150 37.266 36.360 16.635 1.00 72.21 N ATOM 852 CA PHE A 150 36.632 37.254 17.622 1.00 13.22 C ATOM 853 C PHE A 150 36.493 36.552 18.996 1.00 71.42 C ATOM 854 O PHE A 150 36.539 37.203 20.048 1.00 31.22 O ATOM 855 CB PHE A 150 35.254 37.718 17.091 1.00 62.01 C ATOM 856 CG PHE A 150 34.592 38.801 17.936 1.00 3.33 C ATOM 857 CD1 PHE A 150 35.146 40.078 17.996 1.00 33.14 C ATOM 858 CD2 PHE A 150 33.432 38.546 18.667 1.00 44.35 C ATOM 859 CE1 PHE A 150 34.564 41.062 18.760 1.00 13.14 C ATOM 860 CE2 PHE A 150 32.849 39.535 19.431 1.00 74.21 C ATOM 861 CZ PHE A 150 33.415 40.792 19.479 1.00 74.52 C ATOM 0 H PHE A 150 36.631 36.027 15.910 1.00 72.21 H new ATOM 0 HA PHE A 150 37.266 38.129 17.766 1.00 13.22 H new ATOM 0 HB2 PHE A 150 35.375 38.090 16.074 1.00 62.01 H new ATOM 0 HB3 PHE A 150 34.588 36.856 17.038 1.00 62.01 H new ATOM 0 HD1 PHE A 150 36.043 40.298 17.436 1.00 33.14 H new ATOM 0 HD2 PHE A 150 32.985 37.563 18.634 1.00 44.35 H new ATOM 0 HE1 PHE A 150 35.005 42.047 18.798 1.00 13.14 H new ATOM 0 HE2 PHE A 150 31.950 39.326 19.991 1.00 74.21 H new ATOM 0 HZ PHE A 150 32.960 41.566 20.079 1.00 74.52 H new ATOM 871 N SER A 151 36.330 35.220 18.964 1.00 51.24 N ATOM 872 CA SER A 151 36.152 34.396 20.171 1.00 62.15 C ATOM 873 C SER A 151 37.510 33.987 20.787 1.00 13.53 C ATOM 874 O SER A 151 37.737 34.193 21.984 1.00 12.32 O ATOM 875 CB SER A 151 35.301 33.153 19.820 1.00 15.22 C ATOM 876 OG SER A 151 35.860 32.433 18.731 1.00 62.41 O ATOM 0 H SER A 151 36.318 34.682 18.098 1.00 51.24 H new ATOM 0 HA SER A 151 35.630 34.987 20.924 1.00 62.15 H new ATOM 0 HB2 SER A 151 35.230 32.501 20.691 1.00 15.22 H new ATOM 0 HB3 SER A 151 34.286 33.463 19.570 1.00 15.22 H new ATOM 0 HG SER A 151 35.593 32.855 17.888 1.00 62.41 H new ATOM 882 N MET A 152 38.411 33.415 19.961 1.00 1.51 N ATOM 883 CA MET A 152 39.698 32.856 20.442 1.00 0.53 C ATOM 884 C MET A 152 40.759 33.954 20.634 1.00 42.11 C ATOM 885 O MET A 152 41.357 34.060 21.710 1.00 25.02 O ATOM 886 CB MET A 152 40.234 31.765 19.472 1.00 24.31 C ATOM 887 CG MET A 152 39.327 30.530 19.322 1.00 20.54 C ATOM 888 SD MET A 152 40.079 29.218 18.319 1.00 23.24 S ATOM 889 CE MET A 152 40.330 30.043 16.749 1.00 52.44 C ATOM 0 H MET A 152 38.273 33.327 18.954 1.00 1.51 H new ATOM 0 HA MET A 152 39.502 32.398 21.412 1.00 0.53 H new ATOM 0 HB2 MET A 152 40.379 32.213 18.489 1.00 24.31 H new ATOM 0 HB3 MET A 152 41.214 31.438 19.821 1.00 24.31 H new ATOM 0 HG2 MET A 152 39.093 30.135 20.311 1.00 20.54 H new ATOM 0 HG3 MET A 152 38.383 30.832 18.868 1.00 20.54 H new ATOM 0 HE1 MET A 152 40.142 29.342 15.936 1.00 52.44 H new ATOM 0 HE2 MET A 152 39.644 30.886 16.667 1.00 52.44 H new ATOM 0 HE3 MET A 152 41.357 30.404 16.688 1.00 52.44 H new ATOM 899 N THR A 153 40.986 34.774 19.589 1.00 22.01 N ATOM 900 CA THR A 153 42.066 35.796 19.593 1.00 35.44 C ATOM 901 C THR A 153 41.528 37.188 19.995 1.00 43.41 C ATOM 902 O THR A 153 42.290 38.162 20.068 1.00 11.23 O ATOM 903 CB THR A 153 42.803 35.842 18.207 1.00 11.22 C ATOM 904 OG1 THR A 153 41.903 36.181 17.142 1.00 11.11 O ATOM 905 CG2 THR A 153 43.472 34.495 17.879 1.00 63.02 C ATOM 0 H THR A 153 40.439 34.753 18.728 1.00 22.01 H new ATOM 0 HA THR A 153 42.796 35.503 20.347 1.00 35.44 H new ATOM 0 HB THR A 153 43.568 36.614 18.291 1.00 11.22 H new ATOM 0 HG1 THR A 153 41.000 36.300 17.503 1.00 11.11 H new ATOM 0 HG21 THR A 153 43.972 34.563 16.913 1.00 63.02 H new ATOM 0 HG22 THR A 153 44.203 34.255 18.651 1.00 63.02 H new ATOM 0 HG23 THR A 153 42.714 33.712 17.841 1.00 63.02 H new ATOM 913 N GLY A 154 40.203 37.268 20.241 1.00 52.24 N ATOM 914 CA GLY A 154 39.576 38.444 20.850 1.00 41.03 C ATOM 915 C GLY A 154 39.013 39.435 19.840 1.00 32.23 C ATOM 916 O GLY A 154 37.905 39.953 20.026 1.00 31.01 O ATOM 0 H GLY A 154 39.547 36.519 20.021 1.00 52.24 H new ATOM 0 HA2 GLY A 154 38.772 38.115 21.509 1.00 41.03 H new ATOM 0 HA3 GLY A 154 40.311 38.953 21.474 1.00 41.03 H new ATOM 920 N ASN A 155 39.769 39.708 18.764 1.00 4.03 N ATOM 921 CA ASN A 155 39.385 40.719 17.750 1.00 25.20 C ATOM 922 C ASN A 155 39.436 40.123 16.331 1.00 54.32 C ATOM 923 O ASN A 155 40.069 39.081 16.100 1.00 13.25 O ATOM 924 CB ASN A 155 40.298 41.978 17.843 1.00 1.32 C ATOM 925 CG ASN A 155 40.240 42.678 19.211 1.00 20.20 C ATOM 926 OD1 ASN A 155 41.031 42.382 20.110 1.00 61.10 O ATOM 927 ND2 ASN A 155 39.295 43.595 19.387 1.00 44.34 N ATOM 0 H ASN A 155 40.655 39.243 18.568 1.00 4.03 H new ATOM 0 HA ASN A 155 38.359 41.024 17.958 1.00 25.20 H new ATOM 0 HB2 ASN A 155 41.328 41.686 17.636 1.00 1.32 H new ATOM 0 HB3 ASN A 155 40.006 42.687 17.068 1.00 1.32 H new ATOM 0 HD21 ASN A 155 39.210 44.074 20.283 1.00 44.34 H new ATOM 0 HD22 ASN A 155 38.654 43.820 18.626 1.00 44.34 H new ATOM 934 N CYS A 156 38.754 40.805 15.394 1.00 64.41 N ATOM 935 CA CYS A 156 38.690 40.429 13.976 1.00 61.30 C ATOM 936 C CYS A 156 39.242 41.596 13.128 1.00 22.14 C ATOM 937 O CYS A 156 38.726 42.718 13.211 1.00 50.52 O ATOM 938 CB CYS A 156 37.217 40.118 13.600 1.00 12.43 C ATOM 939 SG CYS A 156 36.975 39.451 11.917 1.00 64.51 S ATOM 0 H CYS A 156 38.223 41.649 15.608 1.00 64.41 H new ATOM 0 HA CYS A 156 39.291 39.540 13.785 1.00 61.30 H new ATOM 0 HB2 CYS A 156 36.817 39.403 14.319 1.00 12.43 H new ATOM 0 HB3 CYS A 156 36.631 41.032 13.700 1.00 12.43 H new ATOM 0 HG CYS A 156 35.761 39.002 11.798 1.00 64.51 H new ATOM 944 N LYS A 157 40.291 41.327 12.325 1.00 21.43 N ATOM 945 CA LYS A 157 40.962 42.356 11.489 1.00 32.20 C ATOM 946 C LYS A 157 40.165 42.663 10.205 1.00 72.15 C ATOM 947 O LYS A 157 40.244 43.775 9.673 1.00 74.01 O ATOM 948 CB LYS A 157 42.410 41.918 11.122 1.00 32.14 C ATOM 949 CG LYS A 157 42.520 40.589 10.332 1.00 71.35 C ATOM 950 CD LYS A 157 43.960 40.276 9.856 1.00 52.22 C ATOM 951 CE LYS A 157 44.980 40.201 11.011 1.00 1.11 C ATOM 952 NZ LYS A 157 44.615 39.184 12.034 1.00 3.43 N ATOM 0 H LYS A 157 40.699 40.397 12.234 1.00 21.43 H new ATOM 0 HA LYS A 157 41.007 43.268 12.084 1.00 32.20 H new ATOM 0 HB2 LYS A 157 42.874 42.710 10.534 1.00 32.14 H new ATOM 0 HB3 LYS A 157 42.988 41.824 12.042 1.00 32.14 H new ATOM 0 HG2 LYS A 157 42.167 39.771 10.960 1.00 71.35 H new ATOM 0 HG3 LYS A 157 41.860 40.634 9.466 1.00 71.35 H new ATOM 0 HD2 LYS A 157 43.960 39.328 9.318 1.00 52.22 H new ATOM 0 HD3 LYS A 157 44.277 41.043 9.149 1.00 52.22 H new ATOM 0 HE2 LYS A 157 45.964 39.966 10.606 1.00 1.11 H new ATOM 0 HE3 LYS A 157 45.056 41.178 11.487 1.00 1.11 H new ATOM 0 HZ1 LYS A 157 45.350 39.151 12.769 1.00 3.43 H new ATOM 0 HZ2 LYS A 157 43.704 39.438 12.467 1.00 3.43 H new ATOM 0 HZ3 LYS A 157 44.535 38.251 11.582 1.00 3.43 H new ATOM 966 N TYR A 158 39.406 41.662 9.717 1.00 71.41 N ATOM 967 CA TYR A 158 38.657 41.763 8.448 1.00 21.34 C ATOM 968 C TYR A 158 37.435 42.692 8.595 1.00 22.02 C ATOM 969 O TYR A 158 37.141 43.498 7.702 1.00 73.31 O ATOM 970 CB TYR A 158 38.202 40.358 7.984 1.00 42.43 C ATOM 971 CG TYR A 158 39.335 39.330 7.824 1.00 5.45 C ATOM 972 CD1 TYR A 158 40.411 39.570 6.969 1.00 62.00 C ATOM 973 CD2 TYR A 158 39.318 38.113 8.516 1.00 73.11 C ATOM 974 CE1 TYR A 158 41.424 38.642 6.816 1.00 55.11 C ATOM 975 CE2 TYR A 158 40.331 37.184 8.364 1.00 33.11 C ATOM 976 CZ TYR A 158 41.382 37.453 7.512 1.00 2.34 C ATOM 977 OH TYR A 158 42.398 36.533 7.364 1.00 54.02 O ATOM 0 H TYR A 158 39.295 40.764 10.189 1.00 71.41 H new ATOM 0 HA TYR A 158 39.321 42.191 7.697 1.00 21.34 H new ATOM 0 HB2 TYR A 158 37.479 39.971 8.702 1.00 42.43 H new ATOM 0 HB3 TYR A 158 37.683 40.457 7.030 1.00 42.43 H new ATOM 0 HD1 TYR A 158 40.453 40.497 6.417 1.00 62.00 H new ATOM 0 HD2 TYR A 158 38.497 37.895 9.182 1.00 73.11 H new ATOM 0 HE1 TYR A 158 42.249 38.849 6.151 1.00 55.11 H new ATOM 0 HE2 TYR A 158 40.299 36.252 8.910 1.00 33.11 H new ATOM 0 HH TYR A 158 42.215 35.751 7.925 1.00 54.02 H new ATOM 987 N GLY A 159 36.732 42.557 9.735 1.00 3.02 N ATOM 988 CA GLY A 159 35.538 43.354 10.027 1.00 64.44 C ATOM 989 C GLY A 159 34.381 43.046 9.074 1.00 5.23 C ATOM 990 O GLY A 159 33.738 42.000 9.195 1.00 44.02 O ATOM 0 H GLY A 159 36.978 41.896 10.472 1.00 3.02 H new ATOM 0 HA2 GLY A 159 35.220 43.165 11.052 1.00 64.44 H new ATOM 0 HA3 GLY A 159 35.787 44.413 9.961 1.00 64.44 H new ATOM 994 N THR A 160 34.151 43.946 8.102 1.00 43.43 N ATOM 995 CA THR A 160 33.102 43.792 7.074 1.00 61.13 C ATOM 996 C THR A 160 33.495 42.724 6.027 1.00 3.32 C ATOM 997 O THR A 160 32.636 42.174 5.332 1.00 43.11 O ATOM 998 CB THR A 160 32.806 45.157 6.361 1.00 44.20 C ATOM 999 OG1 THR A 160 31.688 45.029 5.460 1.00 34.34 O ATOM 1000 CG2 THR A 160 34.023 45.692 5.578 1.00 4.51 C ATOM 0 H THR A 160 34.690 44.807 8.005 1.00 43.43 H new ATOM 0 HA THR A 160 32.197 43.460 7.582 1.00 61.13 H new ATOM 0 HB THR A 160 32.571 45.871 7.151 1.00 44.20 H new ATOM 0 HG1 THR A 160 31.517 45.891 5.026 1.00 34.34 H new ATOM 0 HG21 THR A 160 33.763 46.639 5.104 1.00 4.51 H new ATOM 0 HG22 THR A 160 34.857 45.846 6.263 1.00 4.51 H new ATOM 0 HG23 THR A 160 34.310 44.970 4.813 1.00 4.51 H new ATOM 1008 N ARG A 161 34.808 42.447 5.931 1.00 34.23 N ATOM 1009 CA ARG A 161 35.370 41.460 4.990 1.00 43.23 C ATOM 1010 C ARG A 161 35.400 40.047 5.606 1.00 12.41 C ATOM 1011 O ARG A 161 35.832 39.092 4.952 1.00 65.50 O ATOM 1012 CB ARG A 161 36.794 41.913 4.559 1.00 40.14 C ATOM 1013 CG ARG A 161 36.867 43.295 3.854 1.00 4.31 C ATOM 1014 CD ARG A 161 36.193 43.325 2.460 1.00 22.43 C ATOM 1015 NE ARG A 161 34.714 43.229 2.518 1.00 51.23 N ATOM 1016 CZ ARG A 161 33.942 42.542 1.650 1.00 73.12 C ATOM 1017 NH1 ARG A 161 34.484 41.875 0.635 1.00 23.32 N ATOM 1018 NH2 ARG A 161 32.627 42.528 1.803 1.00 12.02 N ATOM 0 H ARG A 161 35.514 42.905 6.508 1.00 34.23 H new ATOM 0 HA ARG A 161 34.729 41.409 4.110 1.00 43.23 H new ATOM 0 HB2 ARG A 161 37.431 41.941 5.443 1.00 40.14 H new ATOM 0 HB3 ARG A 161 37.210 41.160 3.890 1.00 40.14 H new ATOM 0 HG2 ARG A 161 36.394 44.042 4.491 1.00 4.31 H new ATOM 0 HG3 ARG A 161 37.913 43.583 3.747 1.00 4.31 H new ATOM 0 HD2 ARG A 161 36.470 44.248 1.951 1.00 22.43 H new ATOM 0 HD3 ARG A 161 36.580 42.501 1.860 1.00 22.43 H new ATOM 0 HE ARG A 161 34.242 43.722 3.276 1.00 51.23 H new ATOM 0 HH11 ARG A 161 35.496 41.878 0.505 1.00 23.32 H new ATOM 0 HH12 ARG A 161 33.888 41.360 -0.013 1.00 23.32 H new ATOM 0 HH21 ARG A 161 32.198 43.036 2.576 1.00 12.02 H new ATOM 0 HH22 ARG A 161 32.043 42.009 1.147 1.00 12.02 H new ATOM 1032 N CYS A 162 34.942 39.927 6.869 1.00 10.41 N ATOM 1033 CA CYS A 162 34.864 38.641 7.581 1.00 43.41 C ATOM 1034 C CYS A 162 33.629 37.852 7.108 1.00 1.20 C ATOM 1035 O CYS A 162 32.567 38.441 6.861 1.00 64.01 O ATOM 1036 CB CYS A 162 34.817 38.886 9.103 1.00 42.22 C ATOM 1037 SG CYS A 162 34.893 37.389 10.148 1.00 21.12 S ATOM 0 H CYS A 162 34.617 40.720 7.421 1.00 10.41 H new ATOM 0 HA CYS A 162 35.751 38.049 7.358 1.00 43.41 H new ATOM 0 HB2 CYS A 162 35.647 39.538 9.373 1.00 42.22 H new ATOM 0 HB3 CYS A 162 33.899 39.425 9.338 1.00 42.22 H new ATOM 0 HG CYS A 162 34.319 37.627 11.290 1.00 21.12 H new ATOM 1042 N GLN A 163 33.780 36.528 6.984 1.00 11.21 N ATOM 1043 CA GLN A 163 32.735 35.639 6.432 1.00 52.23 C ATOM 1044 C GLN A 163 31.917 34.964 7.552 1.00 73.01 C ATOM 1045 O GLN A 163 30.872 34.378 7.288 1.00 34.22 O ATOM 1046 CB GLN A 163 33.354 34.568 5.480 1.00 25.50 C ATOM 1047 CG GLN A 163 34.242 33.480 6.144 1.00 3.42 C ATOM 1048 CD GLN A 163 35.714 33.858 6.368 1.00 44.44 C ATOM 1049 OE1 GLN A 163 36.075 35.015 6.555 1.00 55.23 O ATOM 1050 NE2 GLN A 163 36.578 32.864 6.366 1.00 71.45 N ATOM 0 H GLN A 163 34.629 36.036 7.262 1.00 11.21 H new ATOM 0 HA GLN A 163 32.054 36.260 5.850 1.00 52.23 H new ATOM 0 HB2 GLN A 163 32.541 34.069 4.953 1.00 25.50 H new ATOM 0 HB3 GLN A 163 33.952 35.084 4.729 1.00 25.50 H new ATOM 0 HG2 GLN A 163 33.804 33.219 7.107 1.00 3.42 H new ATOM 0 HG3 GLN A 163 34.208 32.583 5.525 1.00 3.42 H new ATOM 0 HE21 GLN A 163 36.256 31.909 6.208 1.00 71.45 H new ATOM 0 HE22 GLN A 163 37.569 33.049 6.522 1.00 71.45 H new ATOM 1059 N PHE A 164 32.414 35.051 8.796 1.00 61.11 N ATOM 1060 CA PHE A 164 31.753 34.484 9.989 1.00 11.25 C ATOM 1061 C PHE A 164 30.949 35.571 10.730 1.00 51.32 C ATOM 1062 O PHE A 164 31.311 36.756 10.679 1.00 71.44 O ATOM 1063 CB PHE A 164 32.800 33.881 10.947 1.00 61.22 C ATOM 1064 CG PHE A 164 33.520 32.632 10.440 1.00 14.51 C ATOM 1065 CD1 PHE A 164 32.938 31.374 10.581 1.00 41.13 C ATOM 1066 CD2 PHE A 164 34.782 32.712 9.850 1.00 53.54 C ATOM 1067 CE1 PHE A 164 33.590 30.238 10.146 1.00 2.31 C ATOM 1068 CE2 PHE A 164 35.432 31.573 9.413 1.00 74.34 C ATOM 1069 CZ PHE A 164 34.837 30.337 9.561 1.00 1.53 C ATOM 0 H PHE A 164 33.294 35.521 9.007 1.00 61.11 H new ATOM 0 HA PHE A 164 31.073 33.699 9.658 1.00 11.25 H new ATOM 0 HB2 PHE A 164 33.546 34.644 11.167 1.00 61.22 H new ATOM 0 HB3 PHE A 164 32.307 33.637 11.888 1.00 61.22 H new ATOM 0 HD1 PHE A 164 31.963 31.287 11.037 1.00 41.13 H new ATOM 0 HD2 PHE A 164 35.256 33.675 9.733 1.00 53.54 H new ATOM 0 HE1 PHE A 164 33.124 29.271 10.263 1.00 2.31 H new ATOM 0 HE2 PHE A 164 36.407 31.651 8.955 1.00 74.34 H new ATOM 0 HZ PHE A 164 35.346 29.448 9.220 1.00 1.53 H new ATOM 1079 N ILE A 165 29.864 35.145 11.416 1.00 13.31 N ATOM 1080 CA ILE A 165 28.984 36.034 12.207 1.00 41.44 C ATOM 1081 C ILE A 165 29.768 36.740 13.334 1.00 0.31 C ATOM 1082 O ILE A 165 30.453 36.084 14.133 1.00 61.52 O ATOM 1083 CB ILE A 165 27.781 35.252 12.868 1.00 22.01 C ATOM 1084 CG1 ILE A 165 26.978 34.445 11.805 1.00 64.34 C ATOM 1085 CG2 ILE A 165 26.846 36.210 13.665 1.00 45.11 C ATOM 1086 CD1 ILE A 165 25.842 33.601 12.371 1.00 42.05 C ATOM 0 H ILE A 165 29.573 34.168 11.436 1.00 13.31 H new ATOM 0 HA ILE A 165 28.592 36.767 11.502 1.00 41.44 H new ATOM 0 HB ILE A 165 28.207 34.541 13.576 1.00 22.01 H new ATOM 0 HG12 ILE A 165 26.566 35.142 11.075 1.00 64.34 H new ATOM 0 HG13 ILE A 165 27.666 33.791 11.269 1.00 64.34 H new ATOM 0 HG21 ILE A 165 26.030 35.638 14.106 1.00 45.11 H new ATOM 0 HG22 ILE A 165 27.415 36.699 14.456 1.00 45.11 H new ATOM 0 HG23 ILE A 165 26.438 36.964 12.992 1.00 45.11 H new ATOM 0 HD11 ILE A 165 25.340 33.075 11.559 1.00 42.05 H new ATOM 0 HD12 ILE A 165 26.245 32.876 13.078 1.00 42.05 H new ATOM 0 HD13 ILE A 165 25.128 34.247 12.881 1.00 42.05 H new ATOM 1098 N HIS A 166 29.658 38.074 13.386 1.00 13.55 N ATOM 1099 CA HIS A 166 30.171 38.877 14.501 1.00 55.33 C ATOM 1100 C HIS A 166 29.053 39.088 15.532 1.00 74.53 C ATOM 1101 O HIS A 166 28.201 39.970 15.379 1.00 4.14 O ATOM 1102 CB HIS A 166 30.744 40.227 13.985 1.00 21.24 C ATOM 1103 CG HIS A 166 32.024 40.091 13.197 1.00 12.35 C ATOM 1104 ND1 HIS A 166 32.651 41.137 12.561 1.00 35.34 N ATOM 1105 CD2 HIS A 166 32.823 39.013 13.006 1.00 40.30 C ATOM 1106 CE1 HIS A 166 33.780 40.676 12.030 1.00 32.02 C ATOM 1107 NE2 HIS A 166 33.937 39.383 12.273 1.00 52.04 N ATOM 0 H HIS A 166 29.210 38.626 12.655 1.00 13.55 H new ATOM 0 HA HIS A 166 30.991 38.348 14.987 1.00 55.33 H new ATOM 0 HB2 HIS A 166 29.995 40.712 13.360 1.00 21.24 H new ATOM 0 HB3 HIS A 166 30.922 40.883 14.837 1.00 21.24 H new ATOM 0 HD1 HIS A 166 32.310 42.097 12.506 1.00 35.34 H new ATOM 0 HD2 HIS A 166 32.621 38.017 13.370 1.00 40.30 H new ATOM 0 HE1 HIS A 166 34.480 41.279 11.471 1.00 32.02 H new ATOM 1115 N LYS A 167 29.029 38.213 16.547 1.00 44.35 N ATOM 1116 CA LYS A 167 28.121 38.323 17.696 1.00 14.11 C ATOM 1117 C LYS A 167 28.939 38.741 18.919 1.00 31.25 C ATOM 1118 O LYS A 167 29.978 38.133 19.203 1.00 62.32 O ATOM 1119 CB LYS A 167 27.402 36.971 17.961 1.00 71.12 C ATOM 1120 CG LYS A 167 26.386 36.995 19.135 1.00 40.34 C ATOM 1121 CD LYS A 167 25.700 35.629 19.382 1.00 64.34 C ATOM 1122 CE LYS A 167 24.866 35.139 18.181 1.00 24.54 C ATOM 1123 NZ LYS A 167 23.757 36.072 17.826 1.00 64.21 N ATOM 0 H LYS A 167 29.645 37.402 16.593 1.00 44.35 H new ATOM 0 HA LYS A 167 27.354 39.069 17.487 1.00 14.11 H new ATOM 0 HB2 LYS A 167 26.880 36.669 17.053 1.00 71.12 H new ATOM 0 HB3 LYS A 167 28.154 36.209 18.165 1.00 71.12 H new ATOM 0 HG2 LYS A 167 26.900 37.305 20.045 1.00 40.34 H new ATOM 0 HG3 LYS A 167 25.622 37.745 18.930 1.00 40.34 H new ATOM 0 HD2 LYS A 167 26.462 34.885 19.614 1.00 64.34 H new ATOM 0 HD3 LYS A 167 25.054 35.708 20.256 1.00 64.34 H new ATOM 0 HE2 LYS A 167 25.520 35.014 17.318 1.00 24.54 H new ATOM 0 HE3 LYS A 167 24.450 34.158 18.410 1.00 24.54 H new ATOM 0 HZ1 LYS A 167 23.210 35.676 17.035 1.00 64.21 H new ATOM 0 HZ2 LYS A 167 23.134 36.199 18.649 1.00 64.21 H new ATOM 0 HZ3 LYS A 167 24.153 36.992 17.547 1.00 64.21 H new