USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 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 83:sc= 0.348! USER MOD Set 1.2: A 156 CYS SG : rot 121:sc= -0.497 USER MOD Set 1.3: A 162 CYS SG : rot -108:sc= 2.11 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.0886 K(o=2.1,f=-11!) USER MOD Set 2.1: A 104 CYS SG : rot 92:sc= 1.37 USER MOD Set 2.2: A 113 CYS SG : rot 163:sc= 0.551 USER MOD Set 2.3: A 119 CYS SG : rot -154:sc= 2.3 USER MOD Set 2.4: A 123 HIS : no HE2:sc= -0.158 K(o=4.1,f=-3.7!) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= 0.32 (180deg=0.159) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00022 USER MOD Single : A 107 TYR OH : rot 180:sc=-0.00669 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.35) 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= -0.0043 X(o=-0.0043,f=-0.12) USER MOD Single : A 126 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 MET CE :methyl -137:sc= -0.162 (180deg=-1.28) USER MOD Single : A 153 THR OG1 : rot -0:sc= 1.07 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ -139:sc= -1.41 (180deg=-3.59!) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot -30:sc= 0.271 USER MOD Single : A 163 GLN : amide:sc= 0.0976 K(o=0.098,f=-2.2!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.031 10.266 9.834 1.00 53.02 N ATOM 37 CA PHE A 99 -0.553 9.017 9.342 1.00 63.02 C ATOM 38 C PHE A 99 -0.844 9.230 7.850 1.00 15.40 C ATOM 39 O PHE A 99 -1.477 10.236 7.499 1.00 32.41 O ATOM 40 CB PHE A 99 -1.862 8.707 10.132 1.00 3.50 C ATOM 41 CG PHE A 99 -2.421 7.290 9.960 1.00 61.12 C ATOM 42 CD1 PHE A 99 -3.235 6.960 8.877 1.00 4.42 C ATOM 43 CD2 PHE A 99 -2.146 6.291 10.899 1.00 0.25 C ATOM 44 CE1 PHE A 99 -3.752 5.689 8.735 1.00 73.35 C ATOM 45 CE2 PHE A 99 -2.664 5.019 10.754 1.00 23.11 C ATOM 46 CZ PHE A 99 -3.466 4.717 9.672 1.00 72.50 C ATOM 0 HA PHE A 99 0.119 8.170 9.480 1.00 63.02 H new ATOM 0 HB2 PHE A 99 -1.674 8.878 11.192 1.00 3.50 H new ATOM 0 HB3 PHE A 99 -2.627 9.420 9.825 1.00 3.50 H new ATOM 0 HD1 PHE A 99 -3.465 7.712 8.137 1.00 4.42 H new ATOM 0 HD2 PHE A 99 -1.520 6.517 11.749 1.00 0.25 H new ATOM 0 HE1 PHE A 99 -4.381 5.454 7.889 1.00 73.35 H new ATOM 0 HE2 PHE A 99 -2.441 4.259 11.489 1.00 23.11 H new ATOM 0 HZ PHE A 99 -3.869 3.721 9.559 1.00 72.50 H new ATOM 56 N LYS A 100 -0.367 8.295 6.995 1.00 21.12 N ATOM 57 CA LYS A 100 -0.447 8.356 5.502 1.00 24.43 C ATOM 58 C LYS A 100 -0.036 9.742 4.943 1.00 5.51 C ATOM 59 O LYS A 100 -0.572 10.238 3.944 1.00 20.14 O ATOM 60 CB LYS A 100 -1.819 7.811 4.952 1.00 41.35 C ATOM 61 CG LYS A 100 -3.101 8.514 5.439 1.00 30.51 C ATOM 62 CD LYS A 100 -4.389 7.717 5.127 1.00 42.11 C ATOM 63 CE LYS A 100 -5.621 8.301 5.839 1.00 35.12 C ATOM 64 NZ LYS A 100 -5.995 9.646 5.323 1.00 72.31 N ATOM 0 H LYS A 100 0.099 7.450 7.326 1.00 21.12 H new ATOM 0 HA LYS A 100 0.302 7.667 5.111 1.00 24.43 H new ATOM 0 HB2 LYS A 100 -1.794 7.869 3.864 1.00 41.35 H new ATOM 0 HB3 LYS A 100 -1.892 6.755 5.213 1.00 41.35 H new ATOM 0 HG2 LYS A 100 -3.033 8.675 6.515 1.00 30.51 H new ATOM 0 HG3 LYS A 100 -3.168 9.497 4.973 1.00 30.51 H new ATOM 0 HD2 LYS A 100 -4.561 7.715 4.051 1.00 42.11 H new ATOM 0 HD3 LYS A 100 -4.254 6.679 5.431 1.00 42.11 H new ATOM 0 HE2 LYS A 100 -6.464 7.621 5.715 1.00 35.12 H new ATOM 0 HE3 LYS A 100 -5.420 8.369 6.908 1.00 35.12 H new ATOM 0 HZ1 LYS A 100 -6.613 10.122 6.011 1.00 72.31 H new ATOM 0 HZ2 LYS A 100 -5.136 10.214 5.179 1.00 72.31 H new ATOM 0 HZ3 LYS A 100 -6.498 9.543 4.419 1.00 72.31 H new ATOM 78 N THR A 101 0.977 10.322 5.610 1.00 3.02 N ATOM 79 CA THR A 101 1.615 11.590 5.229 1.00 43.45 C ATOM 80 C THR A 101 2.777 11.339 4.244 1.00 63.01 C ATOM 81 O THR A 101 3.298 12.274 3.622 1.00 12.23 O ATOM 82 CB THR A 101 2.132 12.322 6.508 1.00 3.13 C ATOM 83 OG1 THR A 101 3.017 11.456 7.239 1.00 32.22 O ATOM 84 CG2 THR A 101 0.972 12.748 7.427 1.00 44.35 C ATOM 0 H THR A 101 1.383 9.910 6.450 1.00 3.02 H new ATOM 0 HA THR A 101 0.879 12.221 4.730 1.00 43.45 H new ATOM 0 HB THR A 101 2.661 13.219 6.185 1.00 3.13 H new ATOM 0 HG1 THR A 101 3.341 11.919 8.040 1.00 32.22 H new ATOM 0 HG21 THR A 101 1.371 13.254 8.306 1.00 44.35 H new ATOM 0 HG22 THR A 101 0.310 13.426 6.887 1.00 44.35 H new ATOM 0 HG23 THR A 101 0.412 11.866 7.739 1.00 44.35 H new ATOM 92 N ALA A 102 3.181 10.059 4.134 1.00 31.14 N ATOM 93 CA ALA A 102 4.147 9.570 3.138 1.00 24.21 C ATOM 94 C ALA A 102 3.491 8.417 2.348 1.00 44.32 C ATOM 95 O ALA A 102 2.695 7.663 2.916 1.00 63.30 O ATOM 96 CB ALA A 102 5.444 9.118 3.829 1.00 12.21 C ATOM 0 H ALA A 102 2.836 9.322 4.749 1.00 31.14 H new ATOM 0 HA ALA A 102 4.415 10.368 2.445 1.00 24.21 H new ATOM 0 HB1 ALA A 102 6.149 8.759 3.080 1.00 12.21 H new ATOM 0 HB2 ALA A 102 5.882 9.959 4.366 1.00 12.21 H new ATOM 0 HB3 ALA A 102 5.221 8.315 4.532 1.00 12.21 H new ATOM 102 N LEU A 103 3.807 8.311 1.039 1.00 72.41 N ATOM 103 CA LEU A 103 3.216 7.291 0.133 1.00 2.15 C ATOM 104 C LEU A 103 3.637 5.855 0.518 1.00 52.32 C ATOM 105 O LEU A 103 4.667 5.640 1.166 1.00 71.45 O ATOM 106 CB LEU A 103 3.595 7.584 -1.350 1.00 22.43 C ATOM 107 CG LEU A 103 2.890 8.809 -2.019 1.00 21.12 C ATOM 108 CD1 LEU A 103 3.501 9.123 -3.405 1.00 32.54 C ATOM 109 CD2 LEU A 103 1.361 8.585 -2.125 1.00 22.04 C ATOM 0 H LEU A 103 4.477 8.926 0.578 1.00 72.41 H new ATOM 0 HA LEU A 103 2.134 7.357 0.243 1.00 2.15 H new ATOM 0 HB2 LEU A 103 4.673 7.739 -1.403 1.00 22.43 H new ATOM 0 HB3 LEU A 103 3.371 6.696 -1.942 1.00 22.43 H new ATOM 0 HG LEU A 103 3.059 9.675 -1.378 1.00 21.12 H new ATOM 0 HD11 LEU A 103 2.989 9.980 -3.843 1.00 32.54 H new ATOM 0 HD12 LEU A 103 4.560 9.353 -3.292 1.00 32.54 H new ATOM 0 HD13 LEU A 103 3.385 8.258 -4.058 1.00 32.54 H new ATOM 0 HD21 LEU A 103 0.898 9.453 -2.594 1.00 22.04 H new ATOM 0 HD22 LEU A 103 1.164 7.699 -2.728 1.00 22.04 H new ATOM 0 HD23 LEU A 103 0.944 8.446 -1.128 1.00 22.04 H new ATOM 121 N CYS A 104 2.813 4.887 0.091 1.00 60.14 N ATOM 122 CA CYS A 104 2.990 3.458 0.393 1.00 51.31 C ATOM 123 C CYS A 104 3.966 2.799 -0.593 1.00 62.25 C ATOM 124 O CYS A 104 3.932 3.080 -1.798 1.00 71.42 O ATOM 125 CB CYS A 104 1.607 2.774 0.357 1.00 1.12 C ATOM 126 SG CYS A 104 1.587 0.970 0.606 1.00 43.45 S ATOM 0 H CYS A 104 1.992 5.077 -0.483 1.00 60.14 H new ATOM 0 HA CYS A 104 3.425 3.345 1.386 1.00 51.31 H new ATOM 0 HB2 CYS A 104 0.980 3.231 1.123 1.00 1.12 H new ATOM 0 HB3 CYS A 104 1.144 2.991 -0.606 1.00 1.12 H new ATOM 0 HG CYS A 104 1.433 0.708 1.870 1.00 43.45 H new ATOM 131 N ASP A 105 4.826 1.919 -0.054 1.00 71.50 N ATOM 132 CA ASP A 105 5.838 1.172 -0.824 1.00 14.31 C ATOM 133 C ASP A 105 5.166 0.170 -1.782 1.00 75.02 C ATOM 134 O ASP A 105 5.570 0.034 -2.939 1.00 61.15 O ATOM 135 CB ASP A 105 6.814 0.442 0.150 1.00 24.23 C ATOM 136 CG ASP A 105 6.150 -0.666 1.006 1.00 2.33 C ATOM 137 OD1 ASP A 105 6.549 -1.849 0.904 1.00 44.12 O ATOM 138 OD2 ASP A 105 5.206 -0.354 1.771 1.00 1.41 O ATOM 0 H ASP A 105 4.839 1.703 0.943 1.00 71.50 H new ATOM 0 HA ASP A 105 6.410 1.876 -1.428 1.00 14.31 H new ATOM 0 HB2 ASP A 105 7.624 0.000 -0.430 1.00 24.23 H new ATOM 0 HB3 ASP A 105 7.263 1.179 0.816 1.00 24.23 H new ATOM 143 N ALA A 106 4.114 -0.494 -1.277 1.00 1.31 N ATOM 144 CA ALA A 106 3.338 -1.501 -2.026 1.00 15.34 C ATOM 145 C ALA A 106 2.466 -0.848 -3.118 1.00 14.43 C ATOM 146 O ALA A 106 2.134 -1.483 -4.117 1.00 60.20 O ATOM 147 CB ALA A 106 2.480 -2.309 -1.046 1.00 23.05 C ATOM 0 H ALA A 106 3.773 -0.347 -0.327 1.00 1.31 H new ATOM 0 HA ALA A 106 4.032 -2.171 -2.534 1.00 15.34 H new ATOM 0 HB1 ALA A 106 1.905 -3.054 -1.595 1.00 23.05 H new ATOM 0 HB2 ALA A 106 3.126 -2.809 -0.324 1.00 23.05 H new ATOM 0 HB3 ALA A 106 1.799 -1.639 -0.521 1.00 23.05 H new ATOM 153 N TYR A 107 2.111 0.430 -2.902 1.00 62.44 N ATOM 154 CA TYR A 107 1.355 1.248 -3.872 1.00 33.32 C ATOM 155 C TYR A 107 2.203 1.542 -5.131 1.00 73.14 C ATOM 156 O TYR A 107 1.673 1.661 -6.241 1.00 4.41 O ATOM 157 CB TYR A 107 0.899 2.562 -3.179 1.00 51.45 C ATOM 158 CG TYR A 107 0.284 3.630 -4.099 1.00 70.54 C ATOM 159 CD1 TYR A 107 -0.941 3.416 -4.733 1.00 51.12 C ATOM 160 CD2 TYR A 107 0.931 4.852 -4.329 1.00 72.22 C ATOM 161 CE1 TYR A 107 -1.495 4.374 -5.559 1.00 34.53 C ATOM 162 CE2 TYR A 107 0.379 5.810 -5.156 1.00 11.53 C ATOM 163 CZ TYR A 107 -0.834 5.567 -5.770 1.00 43.42 C ATOM 164 OH TYR A 107 -1.394 6.526 -6.591 1.00 3.43 O ATOM 0 H TYR A 107 2.341 0.930 -2.043 1.00 62.44 H new ATOM 0 HA TYR A 107 0.476 0.695 -4.203 1.00 33.32 H new ATOM 0 HB2 TYR A 107 0.169 2.310 -2.410 1.00 51.45 H new ATOM 0 HB3 TYR A 107 1.759 2.999 -2.672 1.00 51.45 H new ATOM 0 HD1 TYR A 107 -1.465 2.485 -4.575 1.00 51.12 H new ATOM 0 HD2 TYR A 107 1.879 5.048 -3.850 1.00 72.22 H new ATOM 0 HE1 TYR A 107 -2.445 4.190 -6.039 1.00 34.53 H new ATOM 0 HE2 TYR A 107 0.893 6.745 -5.322 1.00 11.53 H new ATOM 0 HH TYR A 107 -0.803 7.307 -6.633 1.00 3.43 H new ATOM 174 N LYS A 108 3.521 1.670 -4.938 1.00 54.43 N ATOM 175 CA LYS A 108 4.471 1.949 -6.029 1.00 51.41 C ATOM 176 C LYS A 108 4.913 0.642 -6.724 1.00 44.02 C ATOM 177 O LYS A 108 4.838 0.520 -7.953 1.00 70.24 O ATOM 178 CB LYS A 108 5.693 2.723 -5.470 1.00 10.23 C ATOM 179 CG LYS A 108 5.326 4.057 -4.779 1.00 51.30 C ATOM 180 CD LYS A 108 6.557 4.788 -4.199 1.00 22.34 C ATOM 181 CE LYS A 108 6.189 6.116 -3.518 1.00 15.10 C ATOM 182 NZ LYS A 108 7.375 6.788 -2.927 1.00 32.25 N ATOM 0 H LYS A 108 3.962 1.584 -4.022 1.00 54.43 H new ATOM 0 HA LYS A 108 3.977 2.567 -6.779 1.00 51.41 H new ATOM 0 HB2 LYS A 108 6.218 2.088 -4.757 1.00 10.23 H new ATOM 0 HB3 LYS A 108 6.386 2.926 -6.286 1.00 10.23 H new ATOM 0 HG2 LYS A 108 4.827 4.708 -5.497 1.00 51.30 H new ATOM 0 HG3 LYS A 108 4.614 3.862 -3.977 1.00 51.30 H new ATOM 0 HD2 LYS A 108 7.054 4.139 -3.477 1.00 22.34 H new ATOM 0 HD3 LYS A 108 7.271 4.980 -4.999 1.00 22.34 H new ATOM 0 HE2 LYS A 108 5.722 6.779 -4.246 1.00 15.10 H new ATOM 0 HE3 LYS A 108 5.451 5.930 -2.737 1.00 15.10 H new ATOM 0 HZ1 LYS A 108 7.081 7.679 -2.478 1.00 32.25 H new ATOM 0 HZ2 LYS A 108 7.806 6.167 -2.213 1.00 32.25 H new ATOM 0 HZ3 LYS A 108 8.069 6.989 -3.675 1.00 32.25 H new ATOM 196 N ARG A 109 5.353 -0.333 -5.908 1.00 23.15 N ATOM 197 CA ARG A 109 5.952 -1.595 -6.393 1.00 11.33 C ATOM 198 C ARG A 109 4.897 -2.558 -6.967 1.00 5.54 C ATOM 199 O ARG A 109 5.041 -3.056 -8.089 1.00 64.11 O ATOM 200 CB ARG A 109 6.719 -2.296 -5.235 1.00 0.24 C ATOM 201 CG ARG A 109 7.990 -1.563 -4.753 1.00 3.11 C ATOM 202 CD ARG A 109 9.070 -1.463 -5.847 1.00 75.05 C ATOM 203 NE ARG A 109 10.340 -0.926 -5.321 1.00 52.22 N ATOM 204 CZ ARG A 109 11.488 -0.823 -6.018 1.00 31.51 C ATOM 205 NH1 ARG A 109 11.559 -1.212 -7.290 1.00 1.14 N ATOM 206 NH2 ARG A 109 12.572 -0.350 -5.424 1.00 14.42 N ATOM 0 H ARG A 109 5.304 -0.270 -4.891 1.00 23.15 H new ATOM 0 HA ARG A 109 6.640 -1.339 -7.199 1.00 11.33 H new ATOM 0 HB2 ARG A 109 6.042 -2.411 -4.389 1.00 0.24 H new ATOM 0 HB3 ARG A 109 6.997 -3.299 -5.559 1.00 0.24 H new ATOM 0 HG2 ARG A 109 7.722 -0.560 -4.420 1.00 3.11 H new ATOM 0 HG3 ARG A 109 8.401 -2.086 -3.890 1.00 3.11 H new ATOM 0 HD2 ARG A 109 9.244 -2.450 -6.277 1.00 75.05 H new ATOM 0 HD3 ARG A 109 8.712 -0.823 -6.653 1.00 75.05 H new ATOM 0 HE ARG A 109 10.349 -0.607 -4.352 1.00 52.22 H new ATOM 0 HH11 ARG A 109 10.735 -1.596 -7.753 1.00 1.14 H new ATOM 0 HH12 ARG A 109 12.437 -1.126 -7.801 1.00 1.14 H new ATOM 0 HH21 ARG A 109 12.534 -0.066 -4.445 1.00 14.42 H new ATOM 0 HH22 ARG A 109 13.445 -0.269 -5.945 1.00 14.42 H new ATOM 220 N SER A 110 3.836 -2.806 -6.188 1.00 74.34 N ATOM 221 CA SER A 110 2.814 -3.823 -6.511 1.00 53.54 C ATOM 222 C SER A 110 1.507 -3.182 -7.013 1.00 11.35 C ATOM 223 O SER A 110 0.618 -3.904 -7.479 1.00 43.50 O ATOM 224 CB SER A 110 2.544 -4.676 -5.247 1.00 72.33 C ATOM 225 OG SER A 110 3.747 -5.241 -4.737 1.00 22.22 O ATOM 0 H SER A 110 3.658 -2.310 -5.315 1.00 74.34 H new ATOM 0 HA SER A 110 3.191 -4.453 -7.317 1.00 53.54 H new ATOM 0 HB2 SER A 110 2.077 -4.057 -4.481 1.00 72.33 H new ATOM 0 HB3 SER A 110 1.839 -5.472 -5.487 1.00 72.33 H new ATOM 0 HG SER A 110 3.546 -5.773 -3.939 1.00 22.22 H new ATOM 231 N GLN A 111 1.414 -1.828 -6.904 1.00 74.40 N ATOM 232 CA GLN A 111 0.201 -1.022 -7.199 1.00 63.24 C ATOM 233 C GLN A 111 -0.868 -1.222 -6.103 1.00 21.52 C ATOM 234 O GLN A 111 -1.280 -0.259 -5.444 1.00 3.15 O ATOM 235 CB GLN A 111 -0.369 -1.270 -8.629 1.00 40.51 C ATOM 236 CG GLN A 111 0.586 -0.847 -9.770 1.00 11.14 C ATOM 237 CD GLN A 111 0.025 -1.078 -11.175 1.00 13.12 C ATOM 238 OE1 GLN A 111 -1.190 -1.044 -11.396 1.00 61.32 O ATOM 239 NE2 GLN A 111 0.906 -1.293 -12.141 1.00 3.51 N ATOM 0 H GLN A 111 2.201 -1.255 -6.601 1.00 74.40 H new ATOM 0 HA GLN A 111 0.505 0.025 -7.188 1.00 63.24 H new ATOM 0 HB2 GLN A 111 -0.601 -2.329 -8.738 1.00 40.51 H new ATOM 0 HB3 GLN A 111 -1.307 -0.726 -8.734 1.00 40.51 H new ATOM 0 HG2 GLN A 111 0.825 0.210 -9.656 1.00 11.14 H new ATOM 0 HG3 GLN A 111 1.521 -1.398 -9.669 1.00 11.14 H new ATOM 0 HE21 GLN A 111 1.903 -1.315 -11.926 1.00 3.51 H new ATOM 0 HE22 GLN A 111 0.587 -1.436 -13.099 1.00 3.51 H new ATOM 248 N ALA A 112 -1.313 -2.475 -5.925 1.00 71.03 N ATOM 249 CA ALA A 112 -2.178 -2.880 -4.805 1.00 55.31 C ATOM 250 C ALA A 112 -1.329 -3.147 -3.542 1.00 41.03 C ATOM 251 O ALA A 112 -0.224 -3.697 -3.635 1.00 73.33 O ATOM 252 CB ALA A 112 -2.979 -4.132 -5.197 1.00 11.25 C ATOM 0 H ALA A 112 -1.082 -3.241 -6.558 1.00 71.03 H new ATOM 0 HA ALA A 112 -2.876 -2.073 -4.580 1.00 55.31 H new ATOM 0 HB1 ALA A 112 -3.619 -4.430 -4.366 1.00 11.25 H new ATOM 0 HB2 ALA A 112 -3.595 -3.911 -6.068 1.00 11.25 H new ATOM 0 HB3 ALA A 112 -2.292 -4.944 -5.435 1.00 11.25 H new ATOM 258 N CYS A 113 -1.847 -2.742 -2.370 1.00 11.22 N ATOM 259 CA CYS A 113 -1.200 -2.976 -1.062 1.00 33.20 C ATOM 260 C CYS A 113 -1.955 -4.091 -0.315 1.00 2.52 C ATOM 261 O CYS A 113 -3.174 -3.989 -0.121 1.00 74.22 O ATOM 262 CB CYS A 113 -1.209 -1.656 -0.258 1.00 71.31 C ATOM 263 SG CYS A 113 -0.426 -1.701 1.394 1.00 41.44 S ATOM 0 H CYS A 113 -2.732 -2.240 -2.300 1.00 11.22 H new ATOM 0 HA CYS A 113 -0.166 -3.295 -1.195 1.00 33.20 H new ATOM 0 HB2 CYS A 113 -0.708 -0.891 -0.852 1.00 71.31 H new ATOM 0 HB3 CYS A 113 -2.244 -1.338 -0.136 1.00 71.31 H new ATOM 0 HG CYS A 113 -0.181 -0.488 1.791 1.00 41.44 H new ATOM 268 N SER A 114 -1.221 -5.135 0.112 1.00 60.12 N ATOM 269 CA SER A 114 -1.803 -6.340 0.745 1.00 12.21 C ATOM 270 C SER A 114 -2.361 -6.038 2.153 1.00 1.12 C ATOM 271 O SER A 114 -3.284 -6.717 2.619 1.00 42.54 O ATOM 272 CB SER A 114 -0.735 -7.455 0.816 1.00 25.30 C ATOM 273 OG SER A 114 -0.156 -7.692 -0.461 1.00 72.54 O ATOM 0 H SER A 114 -0.205 -5.170 0.029 1.00 60.12 H new ATOM 0 HA SER A 114 -2.640 -6.674 0.131 1.00 12.21 H new ATOM 0 HB2 SER A 114 0.043 -7.173 1.525 1.00 25.30 H new ATOM 0 HB3 SER A 114 -1.188 -8.373 1.189 1.00 25.30 H new ATOM 0 HG SER A 114 0.517 -8.400 -0.388 1.00 72.54 H new ATOM 279 N TYR A 115 -1.791 -5.014 2.814 1.00 1.41 N ATOM 280 CA TYR A 115 -2.218 -4.585 4.161 1.00 64.14 C ATOM 281 C TYR A 115 -3.543 -3.793 4.093 1.00 40.22 C ATOM 282 O TYR A 115 -4.363 -3.877 5.008 1.00 23.12 O ATOM 283 CB TYR A 115 -1.111 -3.733 4.830 1.00 73.44 C ATOM 284 CG TYR A 115 0.250 -4.445 4.929 1.00 13.22 C ATOM 285 CD1 TYR A 115 1.318 -4.095 4.096 1.00 52.20 C ATOM 286 CD2 TYR A 115 0.459 -5.479 5.847 1.00 55.21 C ATOM 287 CE1 TYR A 115 2.536 -4.747 4.178 1.00 3.20 C ATOM 288 CE2 TYR A 115 1.677 -6.129 5.931 1.00 12.24 C ATOM 289 CZ TYR A 115 2.711 -5.759 5.096 1.00 52.52 C ATOM 290 OH TYR A 115 3.924 -6.413 5.175 1.00 32.00 O ATOM 0 H TYR A 115 -1.024 -4.461 2.432 1.00 1.41 H new ATOM 0 HA TYR A 115 -2.387 -5.476 4.766 1.00 64.14 H new ATOM 0 HB2 TYR A 115 -0.986 -2.809 4.265 1.00 73.44 H new ATOM 0 HB3 TYR A 115 -1.437 -3.453 5.832 1.00 73.44 H new ATOM 0 HD1 TYR A 115 1.190 -3.301 3.375 1.00 52.20 H new ATOM 0 HD2 TYR A 115 -0.346 -5.776 6.503 1.00 55.21 H new ATOM 0 HE1 TYR A 115 3.347 -4.463 3.524 1.00 3.20 H new ATOM 0 HE2 TYR A 115 1.818 -6.924 6.648 1.00 12.24 H new ATOM 0 HH TYR A 115 3.881 -7.099 5.874 1.00 32.00 H new ATOM 300 N GLY A 116 -3.726 -3.028 2.997 1.00 72.34 N ATOM 301 CA GLY A 116 -4.955 -2.255 2.762 1.00 33.14 C ATOM 302 C GLY A 116 -5.170 -1.142 3.790 1.00 15.13 C ATOM 303 O GLY A 116 -4.441 -0.148 3.792 1.00 11.04 O ATOM 0 H GLY A 116 -3.030 -2.931 2.258 1.00 72.34 H new ATOM 0 HA2 GLY A 116 -4.917 -1.818 1.764 1.00 33.14 H new ATOM 0 HA3 GLY A 116 -5.811 -2.930 2.782 1.00 33.14 H new ATOM 307 N ASP A 117 -6.154 -1.335 4.692 1.00 33.34 N ATOM 308 CA ASP A 117 -6.485 -0.354 5.755 1.00 44.12 C ATOM 309 C ASP A 117 -5.510 -0.464 6.944 1.00 52.41 C ATOM 310 O ASP A 117 -5.446 0.445 7.779 1.00 44.31 O ATOM 311 CB ASP A 117 -7.948 -0.542 6.240 1.00 31.21 C ATOM 312 CG ASP A 117 -8.987 -0.253 5.143 1.00 64.31 C ATOM 313 OD1 ASP A 117 -9.626 -1.200 4.629 1.00 20.14 O ATOM 314 OD2 ASP A 117 -9.152 0.931 4.768 1.00 70.31 O ATOM 0 H ASP A 117 -6.741 -2.169 4.708 1.00 33.34 H new ATOM 0 HA ASP A 117 -6.384 0.643 5.326 1.00 44.12 H new ATOM 0 HB2 ASP A 117 -8.078 -1.564 6.596 1.00 31.21 H new ATOM 0 HB3 ASP A 117 -8.131 0.117 7.089 1.00 31.21 H new ATOM 319 N GLN A 118 -4.772 -1.588 7.021 1.00 3.42 N ATOM 320 CA GLN A 118 -3.713 -1.792 8.037 1.00 43.13 C ATOM 321 C GLN A 118 -2.422 -1.034 7.651 1.00 70.13 C ATOM 322 O GLN A 118 -1.529 -0.854 8.484 1.00 54.55 O ATOM 323 CB GLN A 118 -3.421 -3.308 8.230 1.00 62.21 C ATOM 324 CG GLN A 118 -4.659 -4.163 8.580 1.00 1.14 C ATOM 325 CD GLN A 118 -5.407 -3.716 9.845 1.00 61.33 C ATOM 326 OE1 GLN A 118 -4.817 -3.196 10.797 1.00 22.41 O ATOM 327 NE2 GLN A 118 -6.718 -3.916 9.863 1.00 34.21 N ATOM 0 H GLN A 118 -4.889 -2.378 6.386 1.00 3.42 H new ATOM 0 HA GLN A 118 -4.072 -1.388 8.983 1.00 43.13 H new ATOM 0 HB2 GLN A 118 -2.974 -3.698 7.315 1.00 62.21 H new ATOM 0 HB3 GLN A 118 -2.680 -3.424 9.021 1.00 62.21 H new ATOM 0 HG2 GLN A 118 -5.350 -4.140 7.738 1.00 1.14 H new ATOM 0 HG3 GLN A 118 -4.345 -5.199 8.706 1.00 1.14 H new ATOM 0 HE21 GLN A 118 -7.179 -4.348 9.062 1.00 34.21 H new ATOM 0 HE22 GLN A 118 -7.265 -3.638 10.678 1.00 34.21 H new ATOM 336 N CYS A 119 -2.340 -0.598 6.378 1.00 20.42 N ATOM 337 CA CYS A 119 -1.224 0.211 5.865 1.00 75.05 C ATOM 338 C CYS A 119 -1.412 1.682 6.299 1.00 74.45 C ATOM 339 O CYS A 119 -2.435 2.296 5.984 1.00 4.14 O ATOM 340 CB CYS A 119 -1.166 0.088 4.322 1.00 42.31 C ATOM 341 SG CYS A 119 0.232 0.938 3.520 1.00 32.32 S ATOM 0 H CYS A 119 -3.052 -0.800 5.676 1.00 20.42 H new ATOM 0 HA CYS A 119 -0.281 -0.150 6.275 1.00 75.05 H new ATOM 0 HB2 CYS A 119 -1.124 -0.969 4.060 1.00 42.31 H new ATOM 0 HB3 CYS A 119 -2.094 0.482 3.908 1.00 42.31 H new ATOM 0 HG CYS A 119 -0.088 1.240 2.297 1.00 32.32 H new ATOM 346 N ARG A 120 -0.424 2.231 7.034 1.00 75.23 N ATOM 347 CA ARG A 120 -0.457 3.627 7.542 1.00 41.11 C ATOM 348 C ARG A 120 0.281 4.588 6.585 1.00 11.35 C ATOM 349 O ARG A 120 0.791 5.636 7.006 1.00 14.55 O ATOM 350 CB ARG A 120 0.149 3.690 8.977 1.00 35.23 C ATOM 351 CG ARG A 120 1.629 3.259 9.098 1.00 74.33 C ATOM 352 CD ARG A 120 2.178 3.448 10.525 1.00 72.10 C ATOM 353 NE ARG A 120 1.403 2.687 11.529 1.00 34.42 N ATOM 354 CZ ARG A 120 1.399 2.925 12.852 1.00 72.13 C ATOM 355 NH1 ARG A 120 2.125 3.909 13.373 1.00 50.24 N ATOM 356 NH2 ARG A 120 0.672 2.159 13.651 1.00 11.24 N ATOM 0 H ARG A 120 0.421 1.723 7.295 1.00 75.23 H new ATOM 0 HA ARG A 120 -1.497 3.951 7.590 1.00 41.11 H new ATOM 0 HB2 ARG A 120 0.055 4.711 9.347 1.00 35.23 H new ATOM 0 HB3 ARG A 120 -0.450 3.057 9.633 1.00 35.23 H new ATOM 0 HG2 ARG A 120 1.725 2.212 8.810 1.00 74.33 H new ATOM 0 HG3 ARG A 120 2.232 3.839 8.399 1.00 74.33 H new ATOM 0 HD2 ARG A 120 3.220 3.130 10.556 1.00 72.10 H new ATOM 0 HD3 ARG A 120 2.160 4.507 10.782 1.00 72.10 H new ATOM 0 HE ARG A 120 0.824 1.919 11.190 1.00 34.42 H new ATOM 0 HH11 ARG A 120 2.697 4.497 12.767 1.00 50.24 H new ATOM 0 HH12 ARG A 120 2.110 4.076 14.379 1.00 50.24 H new ATOM 0 HH21 ARG A 120 0.120 1.395 13.261 1.00 11.24 H new ATOM 0 HH22 ARG A 120 0.664 2.333 14.656 1.00 11.24 H new ATOM 370 N PHE A 121 0.312 4.230 5.290 1.00 12.22 N ATOM 371 CA PHE A 121 0.959 5.024 4.229 1.00 21.53 C ATOM 372 C PHE A 121 -0.012 5.188 3.045 1.00 44.41 C ATOM 373 O PHE A 121 -0.787 4.269 2.743 1.00 33.22 O ATOM 374 CB PHE A 121 2.287 4.360 3.789 1.00 43.53 C ATOM 375 CG PHE A 121 3.376 4.388 4.863 1.00 3.03 C ATOM 376 CD1 PHE A 121 3.566 3.313 5.734 1.00 63.44 C ATOM 377 CD2 PHE A 121 4.200 5.506 5.011 1.00 2.33 C ATOM 378 CE1 PHE A 121 4.540 3.356 6.714 1.00 42.44 C ATOM 379 CE2 PHE A 121 5.174 5.546 5.990 1.00 14.24 C ATOM 380 CZ PHE A 121 5.345 4.472 6.842 1.00 72.43 C ATOM 0 H PHE A 121 -0.116 3.371 4.945 1.00 12.22 H new ATOM 0 HA PHE A 121 1.203 6.015 4.613 1.00 21.53 H new ATOM 0 HB2 PHE A 121 2.090 3.325 3.511 1.00 43.53 H new ATOM 0 HB3 PHE A 121 2.657 4.865 2.896 1.00 43.53 H new ATOM 0 HD1 PHE A 121 2.943 2.436 5.641 1.00 63.44 H new ATOM 0 HD2 PHE A 121 4.074 6.351 4.351 1.00 2.33 H new ATOM 0 HE1 PHE A 121 4.672 2.516 7.380 1.00 42.44 H new ATOM 0 HE2 PHE A 121 5.803 6.418 6.089 1.00 14.24 H new ATOM 0 HZ PHE A 121 6.107 4.505 7.607 1.00 72.43 H new ATOM 390 N ALA A 122 0.056 6.362 2.385 1.00 20.22 N ATOM 391 CA ALA A 122 -0.954 6.823 1.416 1.00 42.43 C ATOM 392 C ALA A 122 -1.002 5.973 0.134 1.00 2.43 C ATOM 393 O ALA A 122 0.027 5.711 -0.500 1.00 23.44 O ATOM 394 CB ALA A 122 -0.702 8.295 1.075 1.00 44.24 C ATOM 0 H ALA A 122 0.823 7.022 2.513 1.00 20.22 H new ATOM 0 HA ALA A 122 -1.929 6.709 1.890 1.00 42.43 H new ATOM 0 HB1 ALA A 122 -1.449 8.636 0.358 1.00 44.24 H new ATOM 0 HB2 ALA A 122 -0.769 8.895 1.982 1.00 44.24 H new ATOM 0 HB3 ALA A 122 0.292 8.403 0.641 1.00 44.24 H new ATOM 400 N HIS A 123 -2.226 5.570 -0.241 1.00 54.15 N ATOM 401 CA HIS A 123 -2.516 4.827 -1.481 1.00 1.44 C ATOM 402 C HIS A 123 -3.000 5.812 -2.563 1.00 0.22 C ATOM 403 O HIS A 123 -3.999 5.581 -3.253 1.00 3.21 O ATOM 404 CB HIS A 123 -3.571 3.722 -1.177 1.00 51.43 C ATOM 405 CG HIS A 123 -3.087 2.641 -0.233 1.00 62.14 C ATOM 406 ND1 HIS A 123 -3.905 1.694 0.334 1.00 4.04 N ATOM 407 CD2 HIS A 123 -1.829 2.346 0.196 1.00 74.40 C ATOM 408 CE1 HIS A 123 -3.148 0.881 1.072 1.00 22.11 C ATOM 409 NE2 HIS A 123 -1.866 1.229 1.024 1.00 41.44 N ATOM 0 H HIS A 123 -3.059 5.754 0.319 1.00 54.15 H new ATOM 0 HA HIS A 123 -1.618 4.337 -1.858 1.00 1.44 H new ATOM 0 HB2 HIS A 123 -4.458 4.190 -0.750 1.00 51.43 H new ATOM 0 HB3 HIS A 123 -3.876 3.259 -2.116 1.00 51.43 H new ATOM 0 HD1 HIS A 123 -4.915 1.625 0.212 1.00 4.04 H new ATOM 0 HD2 HIS A 123 -0.937 2.896 -0.067 1.00 74.40 H new ATOM 0 HE1 HIS A 123 -3.529 0.044 1.638 1.00 22.11 H new ATOM 417 N GLY A 124 -2.243 6.915 -2.703 1.00 21.04 N ATOM 418 CA GLY A 124 -2.550 7.982 -3.655 1.00 43.32 C ATOM 419 C GLY A 124 -2.410 9.360 -3.029 1.00 5.10 C ATOM 420 O GLY A 124 -2.377 9.484 -1.797 1.00 74.22 O ATOM 0 H GLY A 124 -1.400 7.086 -2.155 1.00 21.04 H new ATOM 0 HA2 GLY A 124 -1.884 7.904 -4.514 1.00 43.32 H new ATOM 0 HA3 GLY A 124 -3.566 7.854 -4.028 1.00 43.32 H new ATOM 424 N VAL A 125 -2.352 10.400 -3.884 1.00 43.35 N ATOM 425 CA VAL A 125 -2.194 11.800 -3.439 1.00 41.00 C ATOM 426 C VAL A 125 -3.472 12.306 -2.720 1.00 32.40 C ATOM 427 O VAL A 125 -3.410 13.205 -1.876 1.00 61.12 O ATOM 428 CB VAL A 125 -1.791 12.750 -4.633 1.00 33.34 C ATOM 429 CG1 VAL A 125 -2.921 12.876 -5.684 1.00 20.12 C ATOM 430 CG2 VAL A 125 -1.317 14.141 -4.124 1.00 24.03 C ATOM 0 H VAL A 125 -2.413 10.295 -4.897 1.00 43.35 H new ATOM 0 HA VAL A 125 -1.376 11.823 -2.719 1.00 41.00 H new ATOM 0 HB VAL A 125 -0.944 12.285 -5.137 1.00 33.34 H new ATOM 0 HG11 VAL A 125 -2.599 13.539 -6.487 1.00 20.12 H new ATOM 0 HG12 VAL A 125 -3.147 11.892 -6.095 1.00 20.12 H new ATOM 0 HG13 VAL A 125 -3.814 13.286 -5.211 1.00 20.12 H new ATOM 0 HG21 VAL A 125 -1.048 14.767 -4.975 1.00 24.03 H new ATOM 0 HG22 VAL A 125 -2.121 14.617 -3.563 1.00 24.03 H new ATOM 0 HG23 VAL A 125 -0.449 14.015 -3.477 1.00 24.03 H new ATOM 440 N HIS A 126 -4.618 11.666 -3.036 1.00 11.34 N ATOM 441 CA HIS A 126 -5.924 11.943 -2.389 1.00 70.31 C ATOM 442 C HIS A 126 -5.896 11.628 -0.871 1.00 31.10 C ATOM 443 O HIS A 126 -6.678 12.197 -0.100 1.00 72.44 O ATOM 444 CB HIS A 126 -7.060 11.148 -3.095 1.00 3.23 C ATOM 445 CG HIS A 126 -6.915 9.642 -3.041 1.00 22.53 C ATOM 446 ND1 HIS A 126 -7.689 8.869 -2.209 1.00 24.44 N ATOM 447 CD2 HIS A 126 -6.080 8.830 -3.734 1.00 12.23 C ATOM 448 CE1 HIS A 126 -7.309 7.619 -2.413 1.00 64.22 C ATOM 449 NE2 HIS A 126 -6.337 7.550 -3.328 1.00 65.24 N ATOM 0 H HIS A 126 -4.666 10.939 -3.750 1.00 11.34 H new ATOM 0 HA HIS A 126 -6.123 13.009 -2.495 1.00 70.31 H new ATOM 0 HB2 HIS A 126 -8.012 11.423 -2.641 1.00 3.23 H new ATOM 0 HB3 HIS A 126 -7.104 11.457 -4.139 1.00 3.23 H new ATOM 0 HD2 HIS A 126 -5.350 9.136 -4.468 1.00 12.23 H new ATOM 0 HE1 HIS A 126 -7.730 6.764 -1.905 1.00 64.22 H new ATOM 0 HE2 HIS A 126 -5.875 6.703 -3.660 1.00 65.24 H new ATOM 457 N GLU A 127 -4.997 10.709 -0.457 1.00 65.34 N ATOM 458 CA GLU A 127 -4.789 10.355 0.967 1.00 1.02 C ATOM 459 C GLU A 127 -3.463 10.898 1.512 1.00 33.35 C ATOM 460 O GLU A 127 -3.236 10.862 2.728 1.00 64.43 O ATOM 461 CB GLU A 127 -4.887 8.820 1.168 1.00 54.40 C ATOM 462 CG GLU A 127 -6.314 8.260 0.996 1.00 30.11 C ATOM 463 CD GLU A 127 -7.323 8.858 2.002 1.00 45.43 C ATOM 464 OE1 GLU A 127 -7.483 8.298 3.102 1.00 41.40 O ATOM 465 OE2 GLU A 127 -7.939 9.912 1.708 1.00 61.12 O ATOM 0 H GLU A 127 -4.395 10.192 -1.098 1.00 65.34 H new ATOM 0 HA GLU A 127 -5.585 10.832 1.539 1.00 1.02 H new ATOM 0 HB2 GLU A 127 -4.225 8.327 0.456 1.00 54.40 H new ATOM 0 HB3 GLU A 127 -4.526 8.570 2.166 1.00 54.40 H new ATOM 0 HG2 GLU A 127 -6.658 8.462 -0.018 1.00 30.11 H new ATOM 0 HG3 GLU A 127 -6.290 7.177 1.115 1.00 30.11 H new ATOM 472 N LEU A 128 -2.612 11.419 0.615 1.00 62.13 N ATOM 473 CA LEU A 128 -1.298 11.978 0.975 1.00 62.14 C ATOM 474 C LEU A 128 -1.504 13.356 1.618 1.00 2.20 C ATOM 475 O LEU A 128 -1.914 14.312 0.954 1.00 62.02 O ATOM 476 CB LEU A 128 -0.404 12.038 -0.314 1.00 34.21 C ATOM 477 CG LEU A 128 1.148 12.226 -0.159 1.00 41.04 C ATOM 478 CD1 LEU A 128 1.552 13.651 0.255 1.00 60.11 C ATOM 479 CD2 LEU A 128 1.732 11.183 0.806 1.00 10.44 C ATOM 0 H LEU A 128 -2.815 11.465 -0.383 1.00 62.13 H new ATOM 0 HA LEU A 128 -0.783 11.351 1.703 1.00 62.14 H new ATOM 0 HB2 LEU A 128 -0.569 11.116 -0.872 1.00 34.21 H new ATOM 0 HB3 LEU A 128 -0.774 12.856 -0.933 1.00 34.21 H new ATOM 0 HG LEU A 128 1.576 12.067 -1.149 1.00 41.04 H new ATOM 0 HD11 LEU A 128 2.637 13.710 0.344 1.00 60.11 H new ATOM 0 HD12 LEU A 128 1.210 14.360 -0.499 1.00 60.11 H new ATOM 0 HD13 LEU A 128 1.096 13.894 1.214 1.00 60.11 H new ATOM 0 HD21 LEU A 128 2.808 11.334 0.897 1.00 10.44 H new ATOM 0 HD22 LEU A 128 1.266 11.292 1.785 1.00 10.44 H new ATOM 0 HD23 LEU A 128 1.537 10.182 0.421 1.00 10.44 H new ATOM 491 N ARG A 129 -1.226 13.420 2.925 1.00 12.45 N ATOM 492 CA ARG A 129 -1.211 14.667 3.708 1.00 1.33 C ATOM 493 C ARG A 129 0.247 15.103 3.941 1.00 71.44 C ATOM 494 O ARG A 129 1.191 14.404 3.561 1.00 30.12 O ATOM 495 CB ARG A 129 -1.953 14.476 5.079 1.00 74.40 C ATOM 496 CG ARG A 129 -3.484 14.735 5.068 1.00 63.42 C ATOM 497 CD ARG A 129 -4.291 13.769 4.183 1.00 25.02 C ATOM 498 NE ARG A 129 -5.747 13.995 4.324 1.00 22.22 N ATOM 499 CZ ARG A 129 -6.715 13.176 3.876 1.00 23.23 C ATOM 500 NH1 ARG A 129 -6.416 12.043 3.245 1.00 53.24 N ATOM 501 NH2 ARG A 129 -7.983 13.500 4.075 1.00 53.45 N ATOM 0 H ARG A 129 -1.001 12.595 3.480 1.00 12.45 H new ATOM 0 HA ARG A 129 -1.737 15.442 3.151 1.00 1.33 H new ATOM 0 HB2 ARG A 129 -1.780 13.457 5.424 1.00 74.40 H new ATOM 0 HB3 ARG A 129 -1.497 15.142 5.812 1.00 74.40 H new ATOM 0 HG2 ARG A 129 -3.858 14.669 6.090 1.00 63.42 H new ATOM 0 HG3 ARG A 129 -3.664 15.755 4.728 1.00 63.42 H new ATOM 0 HD2 ARG A 129 -4.000 13.899 3.141 1.00 25.02 H new ATOM 0 HD3 ARG A 129 -4.053 12.740 4.454 1.00 25.02 H new ATOM 0 HE ARG A 129 -6.042 14.846 4.803 1.00 22.22 H new ATOM 0 HH11 ARG A 129 -5.441 11.785 3.095 1.00 53.24 H new ATOM 0 HH12 ARG A 129 -7.162 11.433 2.911 1.00 53.24 H new ATOM 0 HH21 ARG A 129 -8.218 14.364 4.564 1.00 53.45 H new ATOM 0 HH22 ARG A 129 -8.725 12.886 3.739 1.00 53.45 H new ATOM 772 N VAL A 145 21.950 20.008 2.236 1.00 14.14 N ATOM 773 CA VAL A 145 22.376 19.536 0.906 1.00 71.41 C ATOM 774 C VAL A 145 23.833 19.976 0.662 1.00 3.55 C ATOM 775 O VAL A 145 24.305 20.929 1.300 1.00 13.52 O ATOM 776 CB VAL A 145 21.433 20.110 -0.227 1.00 44.15 C ATOM 777 CG1 VAL A 145 21.651 19.388 -1.582 1.00 44.43 C ATOM 778 CG2 VAL A 145 19.947 20.058 0.197 1.00 14.23 C ATOM 0 HA VAL A 145 22.308 18.449 0.875 1.00 71.41 H new ATOM 0 HB VAL A 145 21.705 21.156 -0.369 1.00 44.15 H new ATOM 0 HG11 VAL A 145 20.984 19.813 -2.332 1.00 44.43 H new ATOM 0 HG12 VAL A 145 22.685 19.518 -1.901 1.00 44.43 H new ATOM 0 HG13 VAL A 145 21.437 18.325 -1.467 1.00 44.43 H new ATOM 0 HG21 VAL A 145 19.326 20.460 -0.604 1.00 14.23 H new ATOM 0 HG22 VAL A 145 19.661 19.025 0.395 1.00 14.23 H new ATOM 0 HG23 VAL A 145 19.805 20.653 1.099 1.00 14.23 H new ATOM 788 N LEU A 146 24.539 19.273 -0.241 1.00 25.41 N ATOM 789 CA LEU A 146 25.914 19.627 -0.639 1.00 25.40 C ATOM 790 C LEU A 146 25.917 20.940 -1.457 1.00 15.41 C ATOM 791 O LEU A 146 24.897 21.308 -2.066 1.00 30.44 O ATOM 792 CB LEU A 146 26.552 18.466 -1.450 1.00 1.31 C ATOM 793 CG LEU A 146 26.537 17.058 -0.764 1.00 44.24 C ATOM 794 CD1 LEU A 146 27.252 15.995 -1.629 1.00 42.31 C ATOM 795 CD2 LEU A 146 27.124 17.114 0.661 1.00 44.54 C ATOM 0 H LEU A 146 24.175 18.446 -0.714 1.00 25.41 H new ATOM 0 HA LEU A 146 26.511 19.786 0.259 1.00 25.40 H new ATOM 0 HB2 LEU A 146 26.032 18.388 -2.405 1.00 1.31 H new ATOM 0 HB3 LEU A 146 27.586 18.729 -1.671 1.00 1.31 H new ATOM 0 HG LEU A 146 25.494 16.755 -0.674 1.00 44.24 H new ATOM 0 HD11 LEU A 146 27.221 15.031 -1.120 1.00 42.31 H new ATOM 0 HD12 LEU A 146 26.750 15.913 -2.593 1.00 42.31 H new ATOM 0 HD13 LEU A 146 28.290 16.290 -1.784 1.00 42.31 H new ATOM 0 HD21 LEU A 146 27.097 16.119 1.105 1.00 44.54 H new ATOM 0 HD22 LEU A 146 28.156 17.463 0.616 1.00 44.54 H new ATOM 0 HD23 LEU A 146 26.535 17.799 1.270 1.00 44.54 H new ATOM 807 N CYS A 147 27.061 21.637 -1.454 1.00 71.25 N ATOM 808 CA CYS A 147 27.205 22.957 -2.090 1.00 42.03 C ATOM 809 C CYS A 147 27.336 22.808 -3.616 1.00 32.51 C ATOM 810 O CYS A 147 28.308 22.221 -4.104 1.00 43.40 O ATOM 811 CB CYS A 147 28.424 23.681 -1.483 1.00 53.05 C ATOM 812 SG CYS A 147 28.599 25.437 -1.942 1.00 74.21 S ATOM 0 H CYS A 147 27.916 21.302 -1.010 1.00 71.25 H new ATOM 0 HA CYS A 147 26.315 23.557 -1.900 1.00 42.03 H new ATOM 0 HB2 CYS A 147 28.363 23.611 -0.397 1.00 53.05 H new ATOM 0 HB3 CYS A 147 29.328 23.152 -1.786 1.00 53.05 H new ATOM 0 HG CYS A 147 27.846 26.164 -1.171 1.00 74.21 H new ATOM 817 N ASP A 148 26.342 23.356 -4.345 1.00 32.34 N ATOM 818 CA ASP A 148 26.232 23.236 -5.816 1.00 53.23 C ATOM 819 C ASP A 148 27.425 23.905 -6.504 1.00 73.54 C ATOM 820 O ASP A 148 28.073 23.304 -7.352 1.00 30.13 O ATOM 821 CB ASP A 148 24.921 23.892 -6.336 1.00 63.30 C ATOM 822 CG ASP A 148 23.668 23.431 -5.587 1.00 1.20 C ATOM 823 OD1 ASP A 148 23.011 22.460 -6.025 1.00 43.32 O ATOM 824 OD2 ASP A 148 23.341 24.041 -4.547 1.00 4.04 O ATOM 0 H ASP A 148 25.586 23.899 -3.927 1.00 32.34 H new ATOM 0 HA ASP A 148 26.220 22.172 -6.054 1.00 53.23 H new ATOM 0 HB2 ASP A 148 25.008 24.975 -6.251 1.00 63.30 H new ATOM 0 HB3 ASP A 148 24.806 23.664 -7.396 1.00 63.30 H new ATOM 829 N LYS A 149 27.700 25.158 -6.101 1.00 5.13 N ATOM 830 CA LYS A 149 28.788 25.981 -6.668 1.00 11.04 C ATOM 831 C LYS A 149 30.160 25.307 -6.445 1.00 40.33 C ATOM 832 O LYS A 149 30.995 25.259 -7.346 1.00 44.02 O ATOM 833 CB LYS A 149 28.765 27.400 -6.035 1.00 71.31 C ATOM 834 CG LYS A 149 27.441 28.177 -6.222 1.00 11.33 C ATOM 835 CD LYS A 149 27.116 28.478 -7.706 1.00 15.02 C ATOM 836 CE LYS A 149 25.841 29.326 -7.873 1.00 44.21 C ATOM 837 NZ LYS A 149 25.580 29.686 -9.293 1.00 12.10 N ATOM 0 H LYS A 149 27.172 25.633 -5.369 1.00 5.13 H new ATOM 0 HA LYS A 149 28.631 26.073 -7.743 1.00 11.04 H new ATOM 0 HB2 LYS A 149 28.968 27.309 -4.968 1.00 71.31 H new ATOM 0 HB3 LYS A 149 29.577 27.987 -6.465 1.00 71.31 H new ATOM 0 HG2 LYS A 149 26.624 27.601 -5.787 1.00 11.33 H new ATOM 0 HG3 LYS A 149 27.497 29.116 -5.671 1.00 11.33 H new ATOM 0 HD2 LYS A 149 27.958 29.001 -8.160 1.00 15.02 H new ATOM 0 HD3 LYS A 149 26.996 27.539 -8.246 1.00 15.02 H new ATOM 0 HE2 LYS A 149 24.987 28.775 -7.478 1.00 44.21 H new ATOM 0 HE3 LYS A 149 25.934 30.237 -7.281 1.00 44.21 H new ATOM 0 HZ1 LYS A 149 24.712 30.256 -9.353 1.00 12.10 H new ATOM 0 HZ2 LYS A 149 26.381 30.235 -9.665 1.00 12.10 H new ATOM 0 HZ3 LYS A 149 25.464 28.819 -9.855 1.00 12.10 H new ATOM 851 N PHE A 150 30.347 24.742 -5.242 1.00 71.41 N ATOM 852 CA PHE A 150 31.589 24.039 -4.865 1.00 45.40 C ATOM 853 C PHE A 150 31.756 22.738 -5.690 1.00 20.04 C ATOM 854 O PHE A 150 32.875 22.317 -5.989 1.00 3.40 O ATOM 855 CB PHE A 150 31.575 23.743 -3.339 1.00 11.14 C ATOM 856 CG PHE A 150 32.897 23.232 -2.763 1.00 15.30 C ATOM 857 CD1 PHE A 150 33.089 21.881 -2.458 1.00 44.42 C ATOM 858 CD2 PHE A 150 33.954 24.113 -2.526 1.00 32.21 C ATOM 859 CE1 PHE A 150 34.291 21.435 -1.939 1.00 10.52 C ATOM 860 CE2 PHE A 150 35.152 23.664 -2.008 1.00 13.32 C ATOM 861 CZ PHE A 150 35.321 22.327 -1.713 1.00 24.32 C ATOM 0 H PHE A 150 29.645 24.758 -4.503 1.00 71.41 H new ATOM 0 HA PHE A 150 32.444 24.677 -5.088 1.00 45.40 H new ATOM 0 HB2 PHE A 150 31.295 24.654 -2.811 1.00 11.14 H new ATOM 0 HB3 PHE A 150 30.799 23.005 -3.135 1.00 11.14 H new ATOM 0 HD1 PHE A 150 32.288 21.177 -2.630 1.00 44.42 H new ATOM 0 HD2 PHE A 150 33.832 25.162 -2.752 1.00 32.21 H new ATOM 0 HE1 PHE A 150 34.424 20.388 -1.710 1.00 10.52 H new ATOM 0 HE2 PHE A 150 35.959 24.361 -1.833 1.00 13.32 H new ATOM 0 HZ PHE A 150 36.258 21.978 -1.306 1.00 24.32 H new ATOM 871 N SER A 151 30.621 22.127 -6.070 1.00 1.01 N ATOM 872 CA SER A 151 30.591 20.853 -6.813 1.00 61.32 C ATOM 873 C SER A 151 30.683 21.066 -8.349 1.00 52.11 C ATOM 874 O SER A 151 31.199 20.196 -9.064 1.00 41.40 O ATOM 875 CB SER A 151 29.301 20.079 -6.442 1.00 22.53 C ATOM 876 OG SER A 151 29.291 18.768 -6.986 1.00 54.41 O ATOM 0 H SER A 151 29.694 22.503 -5.870 1.00 1.01 H new ATOM 0 HA SER A 151 31.467 20.270 -6.527 1.00 61.32 H new ATOM 0 HB2 SER A 151 29.212 20.022 -5.357 1.00 22.53 H new ATOM 0 HB3 SER A 151 28.432 20.628 -6.804 1.00 22.53 H new ATOM 0 HG SER A 151 28.462 18.313 -6.728 1.00 54.41 H new ATOM 882 N MET A 152 30.187 22.224 -8.849 1.00 1.21 N ATOM 883 CA MET A 152 30.083 22.498 -10.309 1.00 63.22 C ATOM 884 C MET A 152 31.264 23.346 -10.813 1.00 43.54 C ATOM 885 O MET A 152 31.944 22.962 -11.771 1.00 42.40 O ATOM 886 CB MET A 152 28.737 23.209 -10.654 1.00 0.10 C ATOM 887 CG MET A 152 27.476 22.365 -10.405 1.00 34.34 C ATOM 888 SD MET A 152 25.952 23.185 -10.937 1.00 31.02 S ATOM 889 CE MET A 152 25.943 24.667 -9.924 1.00 42.22 C ATOM 0 H MET A 152 29.851 22.988 -8.262 1.00 1.21 H new ATOM 0 HA MET A 152 30.112 21.533 -10.815 1.00 63.22 H new ATOM 0 HB2 MET A 152 28.666 24.124 -10.067 1.00 0.10 H new ATOM 0 HB3 MET A 152 28.757 23.504 -11.703 1.00 0.10 H new ATOM 0 HG2 MET A 152 27.573 21.415 -10.931 1.00 34.34 H new ATOM 0 HG3 MET A 152 27.405 22.135 -9.342 1.00 34.34 H new ATOM 0 HE1 MET A 152 24.938 24.839 -9.540 1.00 42.22 H new ATOM 0 HE2 MET A 152 26.633 24.542 -9.090 1.00 42.22 H new ATOM 0 HE3 MET A 152 26.253 25.521 -10.526 1.00 42.22 H new ATOM 899 N THR A 153 31.506 24.497 -10.161 1.00 65.14 N ATOM 900 CA THR A 153 32.557 25.457 -10.577 1.00 41.14 C ATOM 901 C THR A 153 33.863 25.252 -9.776 1.00 62.30 C ATOM 902 O THR A 153 34.858 25.960 -9.998 1.00 72.32 O ATOM 903 CB THR A 153 32.047 26.938 -10.453 1.00 0.53 C ATOM 904 OG1 THR A 153 31.562 27.201 -9.128 1.00 64.31 O ATOM 905 CG2 THR A 153 30.928 27.244 -11.465 1.00 13.53 C ATOM 0 H THR A 153 30.985 24.791 -9.335 1.00 65.14 H new ATOM 0 HA THR A 153 32.782 25.263 -11.626 1.00 41.14 H new ATOM 0 HB THR A 153 32.899 27.583 -10.668 1.00 0.53 H new ATOM 0 HG1 THR A 153 31.649 26.392 -8.581 1.00 64.31 H new ATOM 0 HG21 THR A 153 30.603 28.278 -11.347 1.00 13.53 H new ATOM 0 HG22 THR A 153 31.303 27.095 -12.478 1.00 13.53 H new ATOM 0 HG23 THR A 153 30.085 26.576 -11.288 1.00 13.53 H new ATOM 913 N GLY A 154 33.850 24.281 -8.839 1.00 73.32 N ATOM 914 CA GLY A 154 35.048 23.888 -8.084 1.00 11.30 C ATOM 915 C GLY A 154 35.104 24.522 -6.703 1.00 71.31 C ATOM 916 O GLY A 154 35.421 23.852 -5.713 1.00 71.15 O ATOM 0 H GLY A 154 33.013 23.754 -8.589 1.00 73.32 H new ATOM 0 HA2 GLY A 154 35.069 22.803 -7.983 1.00 11.30 H new ATOM 0 HA3 GLY A 154 35.937 24.173 -8.647 1.00 11.30 H new ATOM 920 N ASN A 155 34.799 25.826 -6.640 1.00 31.54 N ATOM 921 CA ASN A 155 34.725 26.586 -5.379 1.00 12.04 C ATOM 922 C ASN A 155 33.388 27.330 -5.307 1.00 73.55 C ATOM 923 O ASN A 155 32.812 27.707 -6.339 1.00 3.02 O ATOM 924 CB ASN A 155 35.910 27.582 -5.243 1.00 74.44 C ATOM 925 CG ASN A 155 37.260 26.891 -5.039 1.00 11.21 C ATOM 926 OD1 ASN A 155 37.958 26.553 -5.997 1.00 41.34 O ATOM 927 ND2 ASN A 155 37.636 26.668 -3.786 1.00 3.33 N ATOM 0 H ASN A 155 34.595 26.388 -7.466 1.00 31.54 H new ATOM 0 HA ASN A 155 34.794 25.883 -4.549 1.00 12.04 H new ATOM 0 HB2 ASN A 155 35.959 28.203 -6.138 1.00 74.44 H new ATOM 0 HB3 ASN A 155 35.720 28.249 -4.402 1.00 74.44 H new ATOM 0 HD21 ASN A 155 38.525 26.205 -3.595 1.00 3.33 H new ATOM 0 HD22 ASN A 155 37.036 26.960 -3.014 1.00 3.33 H new ATOM 934 N CYS A 156 32.905 27.520 -4.073 1.00 15.35 N ATOM 935 CA CYS A 156 31.633 28.185 -3.787 1.00 50.40 C ATOM 936 C CYS A 156 31.800 29.712 -3.888 1.00 64.01 C ATOM 937 O CYS A 156 32.609 30.297 -3.157 1.00 44.04 O ATOM 938 CB CYS A 156 31.168 27.769 -2.376 1.00 51.21 C ATOM 939 SG CYS A 156 29.575 28.461 -1.823 1.00 65.41 S ATOM 0 H CYS A 156 33.396 27.210 -3.234 1.00 15.35 H new ATOM 0 HA CYS A 156 30.879 27.886 -4.516 1.00 50.40 H new ATOM 0 HB2 CYS A 156 31.100 26.682 -2.343 1.00 51.21 H new ATOM 0 HB3 CYS A 156 31.937 28.062 -1.661 1.00 51.21 H new ATOM 0 HG CYS A 156 28.750 27.492 -1.558 1.00 65.41 H new ATOM 944 N LYS A 157 31.016 30.348 -4.785 1.00 22.13 N ATOM 945 CA LYS A 157 31.089 31.808 -5.034 1.00 24.42 C ATOM 946 C LYS A 157 30.512 32.619 -3.853 1.00 1.30 C ATOM 947 O LYS A 157 30.819 33.806 -3.702 1.00 74.34 O ATOM 948 CB LYS A 157 30.405 32.165 -6.396 1.00 55.21 C ATOM 949 CG LYS A 157 28.905 31.774 -6.562 1.00 72.11 C ATOM 950 CD LYS A 157 27.871 32.766 -5.942 1.00 41.21 C ATOM 951 CE LYS A 157 27.798 34.143 -6.645 1.00 62.31 C ATOM 952 NZ LYS A 157 28.986 35.009 -6.394 1.00 51.54 N ATOM 0 H LYS A 157 30.318 29.869 -5.355 1.00 22.13 H new ATOM 0 HA LYS A 157 32.139 32.091 -5.110 1.00 24.42 H new ATOM 0 HB2 LYS A 157 30.493 33.241 -6.547 1.00 55.21 H new ATOM 0 HB3 LYS A 157 30.970 31.684 -7.194 1.00 55.21 H new ATOM 0 HG2 LYS A 157 28.691 31.674 -7.626 1.00 72.11 H new ATOM 0 HG3 LYS A 157 28.753 30.793 -6.113 1.00 72.11 H new ATOM 0 HD2 LYS A 157 26.883 32.306 -5.970 1.00 41.21 H new ATOM 0 HD3 LYS A 157 28.120 32.921 -4.892 1.00 41.21 H new ATOM 0 HE2 LYS A 157 27.693 33.988 -7.719 1.00 62.31 H new ATOM 0 HE3 LYS A 157 26.902 34.665 -6.310 1.00 62.31 H new ATOM 0 HZ1 LYS A 157 28.675 35.989 -6.240 1.00 51.54 H new ATOM 0 HZ2 LYS A 157 29.491 34.670 -5.550 1.00 51.54 H new ATOM 0 HZ3 LYS A 157 29.622 34.973 -7.216 1.00 51.54 H new ATOM 966 N TYR A 158 29.656 31.962 -3.042 1.00 61.23 N ATOM 967 CA TYR A 158 29.113 32.538 -1.792 1.00 11.10 C ATOM 968 C TYR A 158 30.202 32.614 -0.698 1.00 33.12 C ATOM 969 O TYR A 158 30.147 33.488 0.169 1.00 31.13 O ATOM 970 CB TYR A 158 27.913 31.702 -1.276 1.00 24.22 C ATOM 971 CG TYR A 158 26.670 31.714 -2.180 1.00 33.33 C ATOM 972 CD1 TYR A 158 26.469 30.732 -3.154 1.00 3.32 C ATOM 973 CD2 TYR A 158 25.687 32.701 -2.045 1.00 0.15 C ATOM 974 CE1 TYR A 158 25.341 30.734 -3.953 1.00 72.11 C ATOM 975 CE2 TYR A 158 24.560 32.706 -2.845 1.00 3.12 C ATOM 976 CZ TYR A 158 24.389 31.722 -3.795 1.00 13.20 C ATOM 977 OH TYR A 158 23.262 31.723 -4.588 1.00 13.41 O ATOM 0 H TYR A 158 29.322 31.018 -3.235 1.00 61.23 H new ATOM 0 HA TYR A 158 28.771 33.548 -2.017 1.00 11.10 H new ATOM 0 HB2 TYR A 158 28.239 30.670 -1.147 1.00 24.22 H new ATOM 0 HB3 TYR A 158 27.630 32.072 -0.291 1.00 24.22 H new ATOM 0 HD1 TYR A 158 27.209 29.957 -3.285 1.00 3.32 H new ATOM 0 HD2 TYR A 158 25.812 33.474 -1.301 1.00 0.15 H new ATOM 0 HE1 TYR A 158 25.205 29.965 -4.699 1.00 72.11 H new ATOM 0 HE2 TYR A 158 23.815 33.479 -2.726 1.00 3.12 H new ATOM 0 HH TYR A 158 22.694 32.484 -4.348 1.00 13.41 H new ATOM 987 N GLY A 159 31.170 31.674 -0.756 1.00 30.14 N ATOM 988 CA GLY A 159 32.301 31.637 0.179 1.00 72.32 C ATOM 989 C GLY A 159 31.881 31.349 1.622 1.00 45.53 C ATOM 990 O GLY A 159 31.347 30.269 1.909 1.00 52.34 O ATOM 0 H GLY A 159 31.184 30.927 -1.450 1.00 30.14 H new ATOM 0 HA2 GLY A 159 33.008 30.874 -0.146 1.00 72.32 H new ATOM 0 HA3 GLY A 159 32.825 32.592 0.144 1.00 72.32 H new ATOM 994 N THR A 160 32.102 32.329 2.522 1.00 45.14 N ATOM 995 CA THR A 160 31.758 32.211 3.960 1.00 61.43 C ATOM 996 C THR A 160 30.270 32.555 4.218 1.00 74.24 C ATOM 997 O THR A 160 29.765 32.383 5.335 1.00 33.14 O ATOM 998 CB THR A 160 32.700 33.113 4.843 1.00 54.34 C ATOM 999 OG1 THR A 160 32.457 32.892 6.247 1.00 52.43 O ATOM 1000 CG2 THR A 160 32.545 34.617 4.531 1.00 12.15 C ATOM 0 H THR A 160 32.523 33.225 2.276 1.00 45.14 H new ATOM 0 HA THR A 160 31.913 31.171 4.248 1.00 61.43 H new ATOM 0 HB THR A 160 33.720 32.821 4.595 1.00 54.34 H new ATOM 0 HG1 THR A 160 31.518 32.646 6.382 1.00 52.43 H new ATOM 0 HG21 THR A 160 33.217 35.192 5.168 1.00 12.15 H new ATOM 0 HG22 THR A 160 32.792 34.799 3.485 1.00 12.15 H new ATOM 0 HG23 THR A 160 31.516 34.923 4.719 1.00 12.15 H new ATOM 1008 N ARG A 161 29.574 33.038 3.168 1.00 13.35 N ATOM 1009 CA ARG A 161 28.137 33.380 3.224 1.00 0.50 C ATOM 1010 C ARG A 161 27.269 32.229 2.652 1.00 34.12 C ATOM 1011 O ARG A 161 26.068 32.405 2.423 1.00 3.34 O ATOM 1012 CB ARG A 161 27.890 34.696 2.432 1.00 45.21 C ATOM 1013 CG ARG A 161 28.766 35.897 2.870 1.00 73.34 C ATOM 1014 CD ARG A 161 28.612 36.249 4.363 1.00 3.41 C ATOM 1015 NE ARG A 161 27.214 36.549 4.730 1.00 22.44 N ATOM 1016 CZ ARG A 161 26.735 36.626 5.986 1.00 3.22 C ATOM 1017 NH1 ARG A 161 27.526 36.435 7.041 1.00 62.54 N ATOM 1018 NH2 ARG A 161 25.450 36.883 6.177 1.00 10.33 N ATOM 0 H ARG A 161 29.995 33.203 2.253 1.00 13.35 H new ATOM 0 HA ARG A 161 27.849 33.525 4.265 1.00 0.50 H new ATOM 0 HB2 ARG A 161 28.066 34.504 1.374 1.00 45.21 H new ATOM 0 HB3 ARG A 161 26.841 34.974 2.536 1.00 45.21 H new ATOM 0 HG2 ARG A 161 29.812 35.670 2.663 1.00 73.34 H new ATOM 0 HG3 ARG A 161 28.504 36.768 2.269 1.00 73.34 H new ATOM 0 HD2 ARG A 161 28.973 35.418 4.968 1.00 3.41 H new ATOM 0 HD3 ARG A 161 29.239 37.110 4.597 1.00 3.41 H new ATOM 0 HE ARG A 161 26.556 36.712 3.968 1.00 22.44 H new ATOM 0 HH11 ARG A 161 28.515 36.226 6.906 1.00 62.54 H new ATOM 0 HH12 ARG A 161 27.142 36.498 7.984 1.00 62.54 H new ATOM 0 HH21 ARG A 161 24.833 37.021 5.377 1.00 10.33 H new ATOM 0 HH22 ARG A 161 25.077 36.943 7.125 1.00 10.33 H new ATOM 1032 N CYS A 162 27.893 31.049 2.449 1.00 14.05 N ATOM 1033 CA CYS A 162 27.240 29.872 1.832 1.00 0.13 C ATOM 1034 C CYS A 162 26.132 29.277 2.723 1.00 51.32 C ATOM 1035 O CYS A 162 26.191 29.364 3.953 1.00 0.54 O ATOM 1036 CB CYS A 162 28.295 28.797 1.511 1.00 1.31 C ATOM 1037 SG CYS A 162 27.639 27.318 0.672 1.00 52.33 S ATOM 0 H CYS A 162 28.866 30.884 2.708 1.00 14.05 H new ATOM 0 HA CYS A 162 26.764 30.210 0.912 1.00 0.13 H new ATOM 0 HB2 CYS A 162 29.068 29.241 0.884 1.00 1.31 H new ATOM 0 HB3 CYS A 162 28.775 28.489 2.440 1.00 1.31 H new ATOM 0 HG CYS A 162 27.641 26.314 1.498 1.00 52.33 H new ATOM 1042 N GLN A 163 25.143 28.644 2.073 1.00 52.31 N ATOM 1043 CA GLN A 163 23.949 28.080 2.733 1.00 53.51 C ATOM 1044 C GLN A 163 23.892 26.543 2.581 1.00 12.23 C ATOM 1045 O GLN A 163 22.935 25.916 3.030 1.00 2.20 O ATOM 1046 CB GLN A 163 22.647 28.740 2.171 1.00 12.23 C ATOM 1047 CG GLN A 163 22.309 28.443 0.684 1.00 22.24 C ATOM 1048 CD GLN A 163 23.233 29.125 -0.340 1.00 43.40 C ATOM 1049 OE1 GLN A 163 24.259 28.572 -0.746 1.00 51.12 O ATOM 1050 NE2 GLN A 163 22.878 30.329 -0.756 1.00 74.24 N ATOM 0 H GLN A 163 25.147 28.506 1.062 1.00 52.31 H new ATOM 0 HA GLN A 163 24.020 28.304 3.797 1.00 53.51 H new ATOM 0 HB2 GLN A 163 21.807 28.414 2.784 1.00 12.23 H new ATOM 0 HB3 GLN A 163 22.731 29.820 2.293 1.00 12.23 H new ATOM 0 HG2 GLN A 163 22.349 27.365 0.526 1.00 22.24 H new ATOM 0 HG3 GLN A 163 21.283 28.756 0.490 1.00 22.24 H new ATOM 0 HE21 GLN A 163 22.024 30.760 -0.402 1.00 74.24 H new ATOM 0 HE22 GLN A 163 23.458 30.827 -1.431 1.00 74.24 H new ATOM 1059 N PHE A 164 24.923 25.945 1.948 1.00 33.34 N ATOM 1060 CA PHE A 164 25.011 24.482 1.712 1.00 35.14 C ATOM 1061 C PHE A 164 26.377 23.934 2.178 1.00 13.23 C ATOM 1062 O PHE A 164 27.376 24.665 2.184 1.00 21.53 O ATOM 1063 CB PHE A 164 24.771 24.145 0.218 1.00 64.53 C ATOM 1064 CG PHE A 164 23.366 24.466 -0.288 1.00 73.50 C ATOM 1065 CD1 PHE A 164 23.159 25.362 -1.338 1.00 73.52 C ATOM 1066 CD2 PHE A 164 22.250 23.874 0.303 1.00 42.42 C ATOM 1067 CE1 PHE A 164 21.883 25.655 -1.779 1.00 72.11 C ATOM 1068 CE2 PHE A 164 20.977 24.166 -0.138 1.00 23.14 C ATOM 1069 CZ PHE A 164 20.792 25.057 -1.178 1.00 53.00 C ATOM 0 H PHE A 164 25.723 26.462 1.583 1.00 33.34 H new ATOM 0 HA PHE A 164 24.229 24.000 2.299 1.00 35.14 H new ATOM 0 HB2 PHE A 164 25.494 24.693 -0.385 1.00 64.53 H new ATOM 0 HB3 PHE A 164 24.965 23.084 0.063 1.00 64.53 H new ATOM 0 HD1 PHE A 164 24.008 25.833 -1.812 1.00 73.52 H new ATOM 0 HD2 PHE A 164 22.385 23.177 1.117 1.00 42.42 H new ATOM 0 HE1 PHE A 164 21.738 26.351 -2.592 1.00 72.11 H new ATOM 0 HE2 PHE A 164 20.123 23.698 0.330 1.00 23.14 H new ATOM 0 HZ PHE A 164 19.794 25.286 -1.521 1.00 53.00 H new ATOM 1079 N ILE A 165 26.386 22.646 2.580 1.00 51.30 N ATOM 1080 CA ILE A 165 27.557 21.970 3.184 1.00 61.14 C ATOM 1081 C ILE A 165 28.737 21.871 2.186 1.00 4.44 C ATOM 1082 O ILE A 165 28.577 21.336 1.084 1.00 25.20 O ATOM 1083 CB ILE A 165 27.188 20.514 3.683 1.00 13.43 C ATOM 1084 CG1 ILE A 165 25.896 20.531 4.568 1.00 43.10 C ATOM 1085 CG2 ILE A 165 28.377 19.866 4.444 1.00 11.10 C ATOM 1086 CD1 ILE A 165 25.460 19.173 5.102 1.00 73.32 C ATOM 0 H ILE A 165 25.572 22.038 2.494 1.00 51.30 H new ATOM 0 HA ILE A 165 27.860 22.579 4.036 1.00 61.14 H new ATOM 0 HB ILE A 165 26.982 19.904 2.804 1.00 13.43 H new ATOM 0 HG12 ILE A 165 26.062 21.200 5.413 1.00 43.10 H new ATOM 0 HG13 ILE A 165 25.079 20.953 3.983 1.00 43.10 H new ATOM 0 HG21 ILE A 165 28.096 18.866 4.775 1.00 11.10 H new ATOM 0 HG22 ILE A 165 29.240 19.799 3.781 1.00 11.10 H new ATOM 0 HG23 ILE A 165 28.631 20.477 5.310 1.00 11.10 H new ATOM 0 HD11 ILE A 165 24.558 19.291 5.702 1.00 73.32 H new ATOM 0 HD12 ILE A 165 25.256 18.502 4.267 1.00 73.32 H new ATOM 0 HD13 ILE A 165 26.254 18.753 5.719 1.00 73.32 H new ATOM 1098 N HIS A 166 29.911 22.396 2.589 1.00 4.31 N ATOM 1099 CA HIS A 166 31.165 22.259 1.827 1.00 1.01 C ATOM 1100 C HIS A 166 31.854 20.939 2.212 1.00 0.32 C ATOM 1101 O HIS A 166 32.524 20.858 3.250 1.00 22.22 O ATOM 1102 CB HIS A 166 32.116 23.468 2.092 1.00 33.51 C ATOM 1103 CG HIS A 166 31.644 24.796 1.549 1.00 61.22 C ATOM 1104 ND1 HIS A 166 32.376 25.958 1.638 1.00 64.43 N ATOM 1105 CD2 HIS A 166 30.518 25.122 0.870 1.00 10.52 C ATOM 1106 CE1 HIS A 166 31.697 26.924 1.026 1.00 13.00 C ATOM 1107 NE2 HIS A 166 30.552 26.469 0.531 1.00 70.32 N ATOM 0 H HIS A 166 30.015 22.927 3.453 1.00 4.31 H new ATOM 0 HA HIS A 166 30.931 22.248 0.763 1.00 1.01 H new ATOM 0 HB2 HIS A 166 32.260 23.566 3.168 1.00 33.51 H new ATOM 0 HB3 HIS A 166 33.091 23.243 1.659 1.00 33.51 H new ATOM 0 HD2 HIS A 166 29.717 24.439 0.629 1.00 10.52 H new ATOM 0 HE1 HIS A 166 32.034 27.947 0.942 1.00 13.00 H new ATOM 0 HE2 HIS A 166 29.848 26.995 0.013 1.00 70.32 H new ATOM 1115 N LYS A 167 31.619 19.888 1.409 1.00 2.21 N ATOM 1116 CA LYS A 167 32.315 18.598 1.551 1.00 70.33 C ATOM 1117 C LYS A 167 33.479 18.533 0.556 1.00 61.33 C ATOM 1118 O LYS A 167 33.268 18.655 -0.657 1.00 63.24 O ATOM 1119 CB LYS A 167 31.339 17.406 1.334 1.00 74.01 C ATOM 1120 CG LYS A 167 30.272 17.243 2.439 1.00 24.44 C ATOM 1121 CD LYS A 167 30.863 16.934 3.839 1.00 70.41 C ATOM 1122 CE LYS A 167 31.610 15.588 3.903 1.00 25.55 C ATOM 1123 NZ LYS A 167 32.119 15.297 5.272 1.00 34.42 N ATOM 0 H LYS A 167 30.943 19.908 0.645 1.00 2.21 H new ATOM 0 HA LYS A 167 32.705 18.521 2.566 1.00 70.33 H new ATOM 0 HB2 LYS A 167 30.835 17.535 0.376 1.00 74.01 H new ATOM 0 HB3 LYS A 167 31.919 16.485 1.268 1.00 74.01 H new ATOM 0 HG2 LYS A 167 29.681 18.157 2.498 1.00 24.44 H new ATOM 0 HG3 LYS A 167 29.590 16.440 2.157 1.00 24.44 H new ATOM 0 HD2 LYS A 167 31.547 17.735 4.122 1.00 70.41 H new ATOM 0 HD3 LYS A 167 30.057 16.929 4.573 1.00 70.41 H new ATOM 0 HE2 LYS A 167 30.942 14.787 3.587 1.00 25.55 H new ATOM 0 HE3 LYS A 167 32.444 15.603 3.202 1.00 25.55 H new ATOM 0 HZ1 LYS A 167 32.615 14.383 5.271 1.00 34.42 H new ATOM 0 HZ2 LYS A 167 32.777 16.047 5.565 1.00 34.42 H new ATOM 0 HZ3 LYS A 167 31.321 15.257 5.938 1.00 34.42 H new