USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=18 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 84:sc= 0.303! USER MOD Set 1.2: A 156 CYS SG : rot 136:sc= 0.344! USER MOD Set 1.3: A 162 CYS SG : rot -86:sc= 0.704 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.338 K(o=1.7,f=-12!) USER MOD Set 2.1: A 104 CYS SG : rot 105:sc= 1.51 USER MOD Set 2.2: A 113 CYS SG : rot 140:sc= 1.2 USER MOD Set 2.3: A 119 CYS SG : rot -102:sc= 1.68 USER MOD Set 2.4: A 123 HIS : no HD1:sc= 0.156 K(o=4.6,f=-7.8!) USER MOD Set 3.1: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 111 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.31) USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= 0.909 (180deg=0.613) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00115 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 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= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 126 HIS : no HD1:sc= 0.0435 K(o=0.043,f=-1) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 79:sc= 1.11 USER MOD Single : A 152 MET CE :methyl -123:sc= -0.276 (180deg=-0.439) USER MOD Single : A 153 THR OG1 : rot -56:sc= 1.36 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 167 LYS NZ :NH3+ 173:sc=-0.000777 (180deg=-0.0572) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 -0.039 7.925 10.731 1.00 1.14 N ATOM 37 CA PHE A 99 -0.688 7.184 9.634 1.00 53.21 C ATOM 38 C PHE A 99 -0.723 8.045 8.369 1.00 41.02 C ATOM 39 O PHE A 99 -1.148 9.206 8.417 1.00 31.41 O ATOM 40 CB PHE A 99 -2.138 6.743 10.019 1.00 34.41 C ATOM 41 CG PHE A 99 -2.222 5.411 10.769 1.00 54.32 C ATOM 42 CD1 PHE A 99 -2.144 5.353 12.158 1.00 25.31 C ATOM 43 CD2 PHE A 99 -2.385 4.212 10.070 1.00 42.25 C ATOM 44 CE1 PHE A 99 -2.227 4.144 12.823 1.00 43.53 C ATOM 45 CE2 PHE A 99 -2.465 3.005 10.735 1.00 51.02 C ATOM 46 CZ PHE A 99 -2.387 2.971 12.113 1.00 40.13 C ATOM 0 HA PHE A 99 -0.102 6.284 9.446 1.00 53.21 H new ATOM 0 HB2 PHE A 99 -2.588 7.521 10.636 1.00 34.41 H new ATOM 0 HB3 PHE A 99 -2.735 6.671 9.110 1.00 34.41 H new ATOM 0 HD1 PHE A 99 -2.017 6.265 12.723 1.00 25.31 H new ATOM 0 HD2 PHE A 99 -2.449 4.230 8.992 1.00 42.25 H new ATOM 0 HE1 PHE A 99 -2.167 4.117 13.901 1.00 43.53 H new ATOM 0 HE2 PHE A 99 -2.588 2.088 10.178 1.00 51.02 H new ATOM 0 HZ PHE A 99 -2.451 2.028 12.635 1.00 40.13 H new ATOM 56 N LYS A 100 -0.235 7.451 7.262 1.00 32.14 N ATOM 57 CA LYS A 100 -0.407 7.947 5.883 1.00 43.42 C ATOM 58 C LYS A 100 0.192 9.350 5.670 1.00 4.32 C ATOM 59 O LYS A 100 -0.228 10.094 4.787 1.00 62.40 O ATOM 60 CB LYS A 100 -1.910 7.849 5.488 1.00 74.04 C ATOM 61 CG LYS A 100 -2.488 6.421 5.654 1.00 24.15 C ATOM 62 CD LYS A 100 -3.951 6.285 5.188 1.00 33.43 C ATOM 63 CE LYS A 100 -4.502 4.869 5.423 1.00 43.41 C ATOM 64 NZ LYS A 100 -5.876 4.711 4.890 1.00 71.15 N ATOM 0 H LYS A 100 0.306 6.587 7.305 1.00 32.14 H new ATOM 0 HA LYS A 100 0.165 7.310 5.208 1.00 43.42 H new ATOM 0 HB2 LYS A 100 -2.487 8.542 6.101 1.00 74.04 H new ATOM 0 HB3 LYS A 100 -2.029 8.165 4.452 1.00 74.04 H new ATOM 0 HG2 LYS A 100 -1.870 5.721 5.091 1.00 24.15 H new ATOM 0 HG3 LYS A 100 -2.422 6.132 6.703 1.00 24.15 H new ATOM 0 HD2 LYS A 100 -4.570 7.008 5.720 1.00 33.43 H new ATOM 0 HD3 LYS A 100 -4.018 6.528 4.128 1.00 33.43 H new ATOM 0 HE2 LYS A 100 -3.844 4.141 4.949 1.00 43.41 H new ATOM 0 HE3 LYS A 100 -4.501 4.652 6.491 1.00 43.41 H new ATOM 0 HZ1 LYS A 100 -6.070 3.703 4.724 1.00 71.15 H new ATOM 0 HZ2 LYS A 100 -6.560 5.087 5.577 1.00 71.15 H new ATOM 0 HZ3 LYS A 100 -5.963 5.232 3.994 1.00 71.15 H new ATOM 78 N THR A 101 1.223 9.661 6.469 1.00 3.42 N ATOM 79 CA THR A 101 1.991 10.914 6.379 1.00 32.11 C ATOM 80 C THR A 101 2.893 10.929 5.119 1.00 63.44 C ATOM 81 O THR A 101 3.216 11.992 4.579 1.00 54.25 O ATOM 82 CB THR A 101 2.857 11.089 7.668 1.00 3.23 C ATOM 83 OG1 THR A 101 3.667 9.915 7.866 1.00 24.22 O ATOM 84 CG2 THR A 101 1.989 11.319 8.921 1.00 2.12 C ATOM 0 H THR A 101 1.553 9.040 7.208 1.00 3.42 H new ATOM 0 HA THR A 101 1.291 11.745 6.296 1.00 32.11 H new ATOM 0 HB THR A 101 3.484 11.969 7.526 1.00 3.23 H new ATOM 0 HG1 THR A 101 4.211 10.025 8.673 1.00 24.22 H new ATOM 0 HG21 THR A 101 2.633 11.435 9.793 1.00 2.12 H new ATOM 0 HG22 THR A 101 1.391 12.220 8.789 1.00 2.12 H new ATOM 0 HG23 THR A 101 1.329 10.464 9.068 1.00 2.12 H new ATOM 92 N ALA A 102 3.268 9.725 4.663 1.00 72.44 N ATOM 93 CA ALA A 102 4.110 9.503 3.475 1.00 22.13 C ATOM 94 C ALA A 102 3.439 8.447 2.585 1.00 51.13 C ATOM 95 O ALA A 102 2.556 7.718 3.051 1.00 14.03 O ATOM 96 CB ALA A 102 5.524 9.063 3.897 1.00 73.32 C ATOM 0 H ALA A 102 2.988 8.857 5.120 1.00 72.44 H new ATOM 0 HA ALA A 102 4.212 10.430 2.911 1.00 22.13 H new ATOM 0 HB1 ALA A 102 6.135 8.903 3.009 1.00 73.32 H new ATOM 0 HB2 ALA A 102 5.977 9.839 4.514 1.00 73.32 H new ATOM 0 HB3 ALA A 102 5.462 8.136 4.467 1.00 73.32 H new ATOM 102 N LEU A 103 3.858 8.379 1.312 1.00 23.31 N ATOM 103 CA LEU A 103 3.282 7.451 0.320 1.00 35.33 C ATOM 104 C LEU A 103 3.726 5.993 0.574 1.00 31.12 C ATOM 105 O LEU A 103 4.762 5.737 1.204 1.00 71.43 O ATOM 106 CB LEU A 103 3.646 7.920 -1.118 1.00 55.42 C ATOM 107 CG LEU A 103 2.957 9.249 -1.583 1.00 24.25 C ATOM 108 CD1 LEU A 103 3.498 9.722 -2.949 1.00 43.25 C ATOM 109 CD2 LEU A 103 1.414 9.093 -1.613 1.00 11.01 C ATOM 0 H LEU A 103 4.605 8.965 0.939 1.00 23.31 H new ATOM 0 HA LEU A 103 2.197 7.467 0.424 1.00 35.33 H new ATOM 0 HB2 LEU A 103 4.727 8.050 -1.177 1.00 55.42 H new ATOM 0 HB3 LEU A 103 3.381 7.128 -1.819 1.00 55.42 H new ATOM 0 HG LEU A 103 3.203 10.020 -0.853 1.00 24.25 H new ATOM 0 HD11 LEU A 103 2.997 10.646 -3.239 1.00 43.25 H new ATOM 0 HD12 LEU A 103 4.571 9.899 -2.874 1.00 43.25 H new ATOM 0 HD13 LEU A 103 3.309 8.956 -3.701 1.00 43.25 H new ATOM 0 HD21 LEU A 103 0.960 10.029 -1.939 1.00 11.01 H new ATOM 0 HD22 LEU A 103 1.142 8.297 -2.306 1.00 11.01 H new ATOM 0 HD23 LEU A 103 1.054 8.843 -0.615 1.00 11.01 H new ATOM 121 N CYS A 104 2.911 5.056 0.073 1.00 25.11 N ATOM 122 CA CYS A 104 3.057 3.610 0.302 1.00 42.43 C ATOM 123 C CYS A 104 3.918 2.974 -0.791 1.00 51.40 C ATOM 124 O CYS A 104 3.566 3.030 -1.976 1.00 41.42 O ATOM 125 CB CYS A 104 1.651 2.974 0.334 1.00 35.03 C ATOM 126 SG CYS A 104 1.581 1.170 0.603 1.00 64.10 S ATOM 0 H CYS A 104 2.112 5.286 -0.517 1.00 25.11 H new ATOM 0 HA CYS A 104 3.558 3.436 1.254 1.00 42.43 H new ATOM 0 HB2 CYS A 104 1.075 3.459 1.122 1.00 35.03 H new ATOM 0 HB3 CYS A 104 1.153 3.198 -0.609 1.00 35.03 H new ATOM 0 HG CYS A 104 1.203 0.928 1.823 1.00 64.10 H new ATOM 131 N ASP A 105 5.047 2.372 -0.376 1.00 14.22 N ATOM 132 CA ASP A 105 5.978 1.673 -1.282 1.00 21.43 C ATOM 133 C ASP A 105 5.276 0.500 -1.979 1.00 64.24 C ATOM 134 O ASP A 105 5.417 0.324 -3.181 1.00 72.54 O ATOM 135 CB ASP A 105 7.220 1.172 -0.502 1.00 54.53 C ATOM 136 CG ASP A 105 8.251 0.445 -1.392 1.00 14.42 C ATOM 137 OD1 ASP A 105 8.943 1.121 -2.185 1.00 23.23 O ATOM 138 OD2 ASP A 105 8.371 -0.796 -1.307 1.00 63.12 O ATOM 0 H ASP A 105 5.341 2.356 0.601 1.00 14.22 H new ATOM 0 HA ASP A 105 6.308 2.379 -2.044 1.00 21.43 H new ATOM 0 HB2 ASP A 105 7.703 2.021 -0.019 1.00 54.53 H new ATOM 0 HB3 ASP A 105 6.895 0.497 0.290 1.00 54.53 H new ATOM 143 N ALA A 106 4.492 -0.264 -1.198 1.00 73.11 N ATOM 144 CA ALA A 106 3.712 -1.421 -1.693 1.00 4.24 C ATOM 145 C ALA A 106 2.720 -1.018 -2.807 1.00 62.35 C ATOM 146 O ALA A 106 2.476 -1.789 -3.743 1.00 0.25 O ATOM 147 CB ALA A 106 2.973 -2.082 -0.522 1.00 13.13 C ATOM 0 H ALA A 106 4.378 -0.098 -0.198 1.00 73.11 H new ATOM 0 HA ALA A 106 4.409 -2.135 -2.133 1.00 4.24 H new ATOM 0 HB1 ALA A 106 2.399 -2.933 -0.888 1.00 13.13 H new ATOM 0 HB2 ALA A 106 3.696 -2.423 0.219 1.00 13.13 H new ATOM 0 HB3 ALA A 106 2.298 -1.360 -0.064 1.00 13.13 H new ATOM 153 N TYR A 107 2.170 0.204 -2.693 1.00 32.44 N ATOM 154 CA TYR A 107 1.258 0.774 -3.701 1.00 51.31 C ATOM 155 C TYR A 107 2.037 1.181 -4.969 1.00 63.44 C ATOM 156 O TYR A 107 1.529 1.058 -6.082 1.00 20.21 O ATOM 157 CB TYR A 107 0.495 1.993 -3.108 1.00 32.23 C ATOM 158 CG TYR A 107 -0.471 2.685 -4.091 1.00 45.54 C ATOM 159 CD1 TYR A 107 -0.102 3.847 -4.780 1.00 43.24 C ATOM 160 CD2 TYR A 107 -1.739 2.161 -4.347 1.00 44.13 C ATOM 161 CE1 TYR A 107 -0.956 4.450 -5.677 1.00 22.35 C ATOM 162 CE2 TYR A 107 -2.597 2.768 -5.241 1.00 2.21 C ATOM 163 CZ TYR A 107 -2.202 3.909 -5.906 1.00 14.12 C ATOM 164 OH TYR A 107 -3.055 4.505 -6.811 1.00 62.30 O ATOM 0 H TYR A 107 2.345 0.823 -1.901 1.00 32.44 H new ATOM 0 HA TYR A 107 0.529 0.013 -3.981 1.00 51.31 H new ATOM 0 HB2 TYR A 107 -0.070 1.663 -2.236 1.00 32.23 H new ATOM 0 HB3 TYR A 107 1.223 2.725 -2.758 1.00 32.23 H new ATOM 0 HD1 TYR A 107 0.872 4.279 -4.605 1.00 43.24 H new ATOM 0 HD2 TYR A 107 -2.055 1.264 -3.836 1.00 44.13 H new ATOM 0 HE1 TYR A 107 -0.650 5.344 -6.199 1.00 22.35 H new ATOM 0 HE2 TYR A 107 -3.577 2.350 -5.419 1.00 2.21 H new ATOM 0 HH TYR A 107 -3.892 3.997 -6.855 1.00 62.30 H new ATOM 174 N LYS A 108 3.267 1.673 -4.793 1.00 30.43 N ATOM 175 CA LYS A 108 4.091 2.167 -5.914 1.00 42.54 C ATOM 176 C LYS A 108 4.797 1.013 -6.668 1.00 55.34 C ATOM 177 O LYS A 108 5.062 1.134 -7.868 1.00 44.45 O ATOM 178 CB LYS A 108 5.110 3.212 -5.394 1.00 71.14 C ATOM 179 CG LYS A 108 4.454 4.495 -4.822 1.00 24.35 C ATOM 180 CD LYS A 108 5.479 5.533 -4.304 1.00 44.34 C ATOM 181 CE LYS A 108 6.278 5.038 -3.087 1.00 11.44 C ATOM 182 NZ LYS A 108 7.305 6.020 -2.657 1.00 64.21 N ATOM 0 H LYS A 108 3.721 1.742 -3.882 1.00 30.43 H new ATOM 0 HA LYS A 108 3.431 2.648 -6.636 1.00 42.54 H new ATOM 0 HB2 LYS A 108 5.724 2.753 -4.619 1.00 71.14 H new ATOM 0 HB3 LYS A 108 5.779 3.489 -6.208 1.00 71.14 H new ATOM 0 HG2 LYS A 108 3.841 4.956 -5.596 1.00 24.35 H new ATOM 0 HG3 LYS A 108 3.784 4.219 -4.007 1.00 24.35 H new ATOM 0 HD2 LYS A 108 6.171 5.783 -5.108 1.00 44.34 H new ATOM 0 HD3 LYS A 108 4.955 6.451 -4.038 1.00 44.34 H new ATOM 0 HE2 LYS A 108 5.595 4.843 -2.260 1.00 11.44 H new ATOM 0 HE3 LYS A 108 6.761 4.092 -3.331 1.00 11.44 H new ATOM 0 HZ1 LYS A 108 7.820 5.646 -1.834 1.00 64.21 H new ATOM 0 HZ2 LYS A 108 7.973 6.188 -3.436 1.00 64.21 H new ATOM 0 HZ3 LYS A 108 6.843 6.915 -2.399 1.00 64.21 H new ATOM 196 N ARG A 109 5.074 -0.107 -5.969 1.00 75.24 N ATOM 197 CA ARG A 109 5.784 -1.270 -6.557 1.00 12.25 C ATOM 198 C ARG A 109 4.789 -2.277 -7.160 1.00 72.44 C ATOM 199 O ARG A 109 4.940 -2.703 -8.311 1.00 52.02 O ATOM 200 CB ARG A 109 6.638 -2.001 -5.480 1.00 21.05 C ATOM 201 CG ARG A 109 7.701 -1.148 -4.760 1.00 63.24 C ATOM 202 CD ARG A 109 8.837 -0.655 -5.667 1.00 63.33 C ATOM 203 NE ARG A 109 9.838 0.094 -4.880 1.00 63.44 N ATOM 204 CZ ARG A 109 10.936 0.698 -5.363 1.00 53.14 C ATOM 205 NH1 ARG A 109 11.228 0.662 -6.657 1.00 41.44 N ATOM 206 NH2 ARG A 109 11.739 1.345 -4.535 1.00 55.15 N ATOM 0 H ARG A 109 4.816 -0.234 -4.990 1.00 75.24 H new ATOM 0 HA ARG A 109 6.435 -0.886 -7.343 1.00 12.25 H new ATOM 0 HB2 ARG A 109 5.963 -2.413 -4.729 1.00 21.05 H new ATOM 0 HB3 ARG A 109 7.140 -2.844 -5.955 1.00 21.05 H new ATOM 0 HG2 ARG A 109 7.212 -0.285 -4.308 1.00 63.24 H new ATOM 0 HG3 ARG A 109 8.130 -1.733 -3.947 1.00 63.24 H new ATOM 0 HD2 ARG A 109 9.313 -1.504 -6.158 1.00 63.33 H new ATOM 0 HD3 ARG A 109 8.432 -0.017 -6.453 1.00 63.33 H new ATOM 0 HE ARG A 109 9.680 0.159 -3.874 1.00 63.44 H new ATOM 0 HH11 ARG A 109 10.614 0.169 -7.305 1.00 41.44 H new ATOM 0 HH12 ARG A 109 12.067 1.127 -7.004 1.00 41.44 H new ATOM 0 HH21 ARG A 109 11.522 1.382 -3.539 1.00 55.15 H new ATOM 0 HH22 ARG A 109 12.575 1.807 -4.892 1.00 55.15 H new ATOM 220 N SER A 110 3.779 -2.664 -6.358 1.00 40.20 N ATOM 221 CA SER A 110 2.862 -3.782 -6.683 1.00 42.22 C ATOM 222 C SER A 110 1.414 -3.319 -6.944 1.00 22.33 C ATOM 223 O SER A 110 0.572 -4.147 -7.326 1.00 5.10 O ATOM 224 CB SER A 110 2.912 -4.816 -5.533 1.00 64.13 C ATOM 225 OG SER A 110 4.237 -5.291 -5.333 1.00 51.54 O ATOM 0 H SER A 110 3.573 -2.213 -5.467 1.00 40.20 H new ATOM 0 HA SER A 110 3.200 -4.236 -7.615 1.00 42.22 H new ATOM 0 HB2 SER A 110 2.542 -4.361 -4.614 1.00 64.13 H new ATOM 0 HB3 SER A 110 2.252 -5.653 -5.763 1.00 64.13 H new ATOM 0 HG SER A 110 4.244 -5.942 -4.600 1.00 51.54 H new ATOM 231 N GLN A 111 1.150 -2.006 -6.743 1.00 22.13 N ATOM 232 CA GLN A 111 -0.189 -1.377 -6.865 1.00 4.12 C ATOM 233 C GLN A 111 -1.125 -1.834 -5.724 1.00 54.42 C ATOM 234 O GLN A 111 -1.428 -1.051 -4.814 1.00 13.41 O ATOM 235 CB GLN A 111 -0.815 -1.590 -8.278 1.00 21.01 C ATOM 236 CG GLN A 111 -2.147 -0.850 -8.530 1.00 54.41 C ATOM 237 CD GLN A 111 -2.047 0.681 -8.445 1.00 33.22 C ATOM 238 OE1 GLN A 111 -1.003 1.276 -8.725 1.00 53.05 O ATOM 239 NE2 GLN A 111 -3.146 1.329 -8.090 1.00 5.52 N ATOM 0 H GLN A 111 1.878 -1.339 -6.486 1.00 22.13 H new ATOM 0 HA GLN A 111 -0.057 -0.300 -6.758 1.00 4.12 H new ATOM 0 HB2 GLN A 111 -0.093 -1.269 -9.029 1.00 21.01 H new ATOM 0 HB3 GLN A 111 -0.978 -2.657 -8.428 1.00 21.01 H new ATOM 0 HG2 GLN A 111 -2.520 -1.124 -9.517 1.00 54.41 H new ATOM 0 HG3 GLN A 111 -2.883 -1.195 -7.804 1.00 54.41 H new ATOM 0 HE21 GLN A 111 -3.994 0.809 -7.864 1.00 5.52 H new ATOM 0 HE22 GLN A 111 -3.144 2.348 -8.042 1.00 5.52 H new ATOM 248 N ALA A 112 -1.563 -3.108 -5.773 1.00 35.30 N ATOM 249 CA ALA A 112 -2.392 -3.716 -4.719 1.00 75.23 C ATOM 250 C ALA A 112 -1.547 -3.968 -3.450 1.00 2.41 C ATOM 251 O ALA A 112 -0.817 -4.964 -3.363 1.00 20.32 O ATOM 252 CB ALA A 112 -3.036 -5.017 -5.234 1.00 43.10 C ATOM 0 H ALA A 112 -1.351 -3.741 -6.544 1.00 35.30 H new ATOM 0 HA ALA A 112 -3.194 -3.027 -4.454 1.00 75.23 H new ATOM 0 HB1 ALA A 112 -3.647 -5.458 -4.446 1.00 43.10 H new ATOM 0 HB2 ALA A 112 -3.663 -4.796 -6.098 1.00 43.10 H new ATOM 0 HB3 ALA A 112 -2.255 -5.720 -5.523 1.00 43.10 H new ATOM 258 N CYS A 113 -1.620 -3.016 -2.506 1.00 54.31 N ATOM 259 CA CYS A 113 -0.935 -3.088 -1.200 1.00 3.14 C ATOM 260 C CYS A 113 -1.636 -4.119 -0.291 1.00 64.50 C ATOM 261 O CYS A 113 -2.852 -4.038 -0.086 1.00 63.04 O ATOM 262 CB CYS A 113 -0.935 -1.681 -0.556 1.00 11.51 C ATOM 263 SG CYS A 113 -0.342 -1.578 1.170 1.00 51.23 S ATOM 0 H CYS A 113 -2.164 -2.162 -2.628 1.00 54.31 H new ATOM 0 HA CYS A 113 0.096 -3.414 -1.336 1.00 3.14 H new ATOM 0 HB2 CYS A 113 -0.318 -1.024 -1.169 1.00 11.51 H new ATOM 0 HB3 CYS A 113 -1.951 -1.289 -0.592 1.00 11.51 H new ATOM 0 HG CYS A 113 0.381 -0.508 1.317 1.00 51.23 H new ATOM 268 N SER A 114 -0.852 -5.070 0.252 1.00 64.42 N ATOM 269 CA SER A 114 -1.366 -6.218 1.033 1.00 33.32 C ATOM 270 C SER A 114 -2.047 -5.770 2.346 1.00 4.24 C ATOM 271 O SER A 114 -2.999 -6.415 2.809 1.00 74.10 O ATOM 272 CB SER A 114 -0.208 -7.207 1.325 1.00 42.42 C ATOM 273 OG SER A 114 -0.658 -8.378 1.995 1.00 41.01 O ATOM 0 H SER A 114 0.164 -5.066 0.162 1.00 64.42 H new ATOM 0 HA SER A 114 -2.129 -6.717 0.437 1.00 33.32 H new ATOM 0 HB2 SER A 114 0.272 -7.488 0.388 1.00 42.42 H new ATOM 0 HB3 SER A 114 0.547 -6.710 1.933 1.00 42.42 H new ATOM 0 HG SER A 114 0.102 -8.974 2.158 1.00 41.01 H new ATOM 279 N TYR A 115 -1.557 -4.658 2.930 1.00 54.13 N ATOM 280 CA TYR A 115 -2.113 -4.091 4.177 1.00 42.05 C ATOM 281 C TYR A 115 -3.504 -3.457 3.945 1.00 32.41 C ATOM 282 O TYR A 115 -4.365 -3.532 4.822 1.00 34.24 O ATOM 283 CB TYR A 115 -1.139 -3.054 4.790 1.00 42.31 C ATOM 284 CG TYR A 115 0.186 -3.642 5.305 1.00 65.23 C ATOM 285 CD1 TYR A 115 1.322 -3.690 4.495 1.00 33.44 C ATOM 286 CD2 TYR A 115 0.292 -4.159 6.602 1.00 4.22 C ATOM 287 CE1 TYR A 115 2.510 -4.228 4.954 1.00 12.44 C ATOM 288 CE2 TYR A 115 1.480 -4.696 7.063 1.00 61.41 C ATOM 289 CZ TYR A 115 2.584 -4.729 6.236 1.00 71.32 C ATOM 290 OH TYR A 115 3.767 -5.271 6.693 1.00 34.32 O ATOM 0 H TYR A 115 -0.770 -4.130 2.554 1.00 54.13 H new ATOM 0 HA TYR A 115 -2.237 -4.912 4.883 1.00 42.05 H new ATOM 0 HB2 TYR A 115 -0.917 -2.296 4.039 1.00 42.31 H new ATOM 0 HB3 TYR A 115 -1.641 -2.548 5.615 1.00 42.31 H new ATOM 0 HD1 TYR A 115 1.272 -3.299 3.490 1.00 33.44 H new ATOM 0 HD2 TYR A 115 -0.569 -4.138 7.254 1.00 4.22 H new ATOM 0 HE1 TYR A 115 3.377 -4.256 4.310 1.00 12.44 H new ATOM 0 HE2 TYR A 115 1.544 -5.088 8.067 1.00 61.41 H new ATOM 0 HH TYR A 115 3.651 -5.578 7.617 1.00 34.32 H new ATOM 300 N GLY A 116 -3.705 -2.841 2.759 1.00 55.50 N ATOM 301 CA GLY A 116 -4.989 -2.214 2.398 1.00 75.02 C ATOM 302 C GLY A 116 -5.379 -1.063 3.326 1.00 43.11 C ATOM 303 O GLY A 116 -4.751 -0.002 3.293 1.00 2.41 O ATOM 0 H GLY A 116 -2.990 -2.766 2.036 1.00 55.50 H new ATOM 0 HA2 GLY A 116 -4.930 -1.843 1.375 1.00 75.02 H new ATOM 0 HA3 GLY A 116 -5.774 -2.970 2.418 1.00 75.02 H new ATOM 307 N ASP A 117 -6.411 -1.284 4.163 1.00 50.32 N ATOM 308 CA ASP A 117 -6.885 -0.294 5.165 1.00 54.20 C ATOM 309 C ASP A 117 -5.931 -0.228 6.365 1.00 44.14 C ATOM 310 O ASP A 117 -5.801 0.818 7.011 1.00 71.44 O ATOM 311 CB ASP A 117 -8.319 -0.639 5.655 1.00 22.32 C ATOM 312 CG ASP A 117 -9.379 -0.500 4.550 1.00 14.51 C ATOM 313 OD1 ASP A 117 -9.985 0.589 4.424 1.00 62.52 O ATOM 314 OD2 ASP A 117 -9.605 -1.471 3.799 1.00 33.32 O ATOM 0 H ASP A 117 -6.944 -2.154 4.168 1.00 50.32 H new ATOM 0 HA ASP A 117 -6.906 0.680 4.677 1.00 54.20 H new ATOM 0 HB2 ASP A 117 -8.331 -1.660 6.037 1.00 22.32 H new ATOM 0 HB3 ASP A 117 -8.581 0.015 6.487 1.00 22.32 H new ATOM 319 N GLN A 118 -5.255 -1.358 6.642 1.00 12.34 N ATOM 320 CA GLN A 118 -4.294 -1.481 7.760 1.00 11.31 C ATOM 321 C GLN A 118 -2.946 -0.800 7.438 1.00 13.24 C ATOM 322 O GLN A 118 -2.046 -0.777 8.284 1.00 22.43 O ATOM 323 CB GLN A 118 -4.065 -2.985 8.108 1.00 42.10 C ATOM 324 CG GLN A 118 -5.352 -3.791 8.392 1.00 33.10 C ATOM 325 CD GLN A 118 -6.255 -3.149 9.449 1.00 53.15 C ATOM 326 OE1 GLN A 118 -7.159 -2.374 9.129 1.00 61.44 O ATOM 327 NE2 GLN A 118 -6.006 -3.444 10.713 1.00 0.03 N ATOM 0 H GLN A 118 -5.358 -2.214 6.098 1.00 12.34 H new ATOM 0 HA GLN A 118 -4.724 -0.970 8.621 1.00 11.31 H new ATOM 0 HB2 GLN A 118 -3.533 -3.457 7.282 1.00 42.10 H new ATOM 0 HB3 GLN A 118 -3.416 -3.046 8.981 1.00 42.10 H new ATOM 0 HG2 GLN A 118 -5.914 -3.902 7.465 1.00 33.10 H new ATOM 0 HG3 GLN A 118 -5.078 -4.794 8.720 1.00 33.10 H new ATOM 0 HE21 GLN A 118 -5.251 -4.089 10.947 1.00 0.03 H new ATOM 0 HE22 GLN A 118 -6.569 -3.027 11.454 1.00 0.03 H new ATOM 336 N CYS A 119 -2.821 -0.254 6.211 1.00 55.13 N ATOM 337 CA CYS A 119 -1.592 0.387 5.729 1.00 34.13 C ATOM 338 C CYS A 119 -1.345 1.718 6.467 1.00 21.00 C ATOM 339 O CYS A 119 -2.229 2.584 6.520 1.00 22.41 O ATOM 340 CB CYS A 119 -1.683 0.609 4.202 1.00 51.23 C ATOM 341 SG CYS A 119 -0.103 1.009 3.392 1.00 44.31 S ATOM 0 H CYS A 119 -3.578 -0.248 5.527 1.00 55.13 H new ATOM 0 HA CYS A 119 -0.746 -0.268 5.937 1.00 34.13 H new ATOM 0 HB2 CYS A 119 -2.093 -0.290 3.742 1.00 51.23 H new ATOM 0 HB3 CYS A 119 -2.389 1.417 4.008 1.00 51.23 H new ATOM 0 HG CYS A 119 -0.051 2.285 3.148 1.00 44.31 H new ATOM 346 N ARG A 120 -0.134 1.862 7.030 1.00 52.33 N ATOM 347 CA ARG A 120 0.296 3.078 7.760 1.00 2.25 C ATOM 348 C ARG A 120 0.920 4.115 6.802 1.00 32.54 C ATOM 349 O ARG A 120 1.529 5.098 7.247 1.00 72.12 O ATOM 350 CB ARG A 120 1.292 2.684 8.886 1.00 61.40 C ATOM 351 CG ARG A 120 2.575 1.975 8.393 1.00 43.42 C ATOM 352 CD ARG A 120 3.461 1.474 9.545 1.00 30.04 C ATOM 353 NE ARG A 120 2.756 0.501 10.402 1.00 22.13 N ATOM 354 CZ ARG A 120 3.261 -0.084 11.503 1.00 1.21 C ATOM 355 NH1 ARG A 120 4.498 0.182 11.924 1.00 55.34 N ATOM 356 NH2 ARG A 120 2.516 -0.942 12.184 1.00 71.33 N ATOM 0 H ARG A 120 0.582 1.137 6.994 1.00 52.33 H new ATOM 0 HA ARG A 120 -0.580 3.545 8.211 1.00 2.25 H new ATOM 0 HB2 ARG A 120 1.577 3.583 9.432 1.00 61.40 H new ATOM 0 HB3 ARG A 120 0.781 2.031 9.593 1.00 61.40 H new ATOM 0 HG2 ARG A 120 2.298 1.131 7.761 1.00 43.42 H new ATOM 0 HG3 ARG A 120 3.149 2.663 7.773 1.00 43.42 H new ATOM 0 HD2 ARG A 120 4.360 1.013 9.137 1.00 30.04 H new ATOM 0 HD3 ARG A 120 3.784 2.322 10.149 1.00 30.04 H new ATOM 0 HE ARG A 120 1.804 0.250 10.136 1.00 22.13 H new ATOM 0 HH11 ARG A 120 5.082 0.841 11.408 1.00 55.34 H new ATOM 0 HH12 ARG A 120 4.861 -0.273 12.762 1.00 55.34 H new ATOM 0 HH21 ARG A 120 1.568 -1.154 11.872 1.00 71.33 H new ATOM 0 HH22 ARG A 120 2.890 -1.391 13.020 1.00 71.33 H new ATOM 370 N PHE A 121 0.766 3.882 5.482 1.00 24.24 N ATOM 371 CA PHE A 121 1.208 4.802 4.418 1.00 35.13 C ATOM 372 C PHE A 121 0.085 4.977 3.371 1.00 50.43 C ATOM 373 O PHE A 121 -0.734 4.074 3.164 1.00 11.23 O ATOM 374 CB PHE A 121 2.515 4.295 3.760 1.00 45.20 C ATOM 375 CG PHE A 121 3.734 4.337 4.680 1.00 24.55 C ATOM 376 CD1 PHE A 121 4.238 3.176 5.268 1.00 30.45 C ATOM 377 CD2 PHE A 121 4.365 5.547 4.966 1.00 64.00 C ATOM 378 CE1 PHE A 121 5.332 3.229 6.106 1.00 10.45 C ATOM 379 CE2 PHE A 121 5.460 5.595 5.805 1.00 13.32 C ATOM 380 CZ PHE A 121 5.943 4.436 6.374 1.00 12.22 C ATOM 0 H PHE A 121 0.324 3.036 5.122 1.00 24.24 H new ATOM 0 HA PHE A 121 1.420 5.775 4.860 1.00 35.13 H new ATOM 0 HB2 PHE A 121 2.364 3.270 3.421 1.00 45.20 H new ATOM 0 HB3 PHE A 121 2.721 4.897 2.875 1.00 45.20 H new ATOM 0 HD1 PHE A 121 3.766 2.226 5.065 1.00 30.45 H new ATOM 0 HD2 PHE A 121 3.992 6.459 4.525 1.00 64.00 H new ATOM 0 HE1 PHE A 121 5.711 2.322 6.554 1.00 10.45 H new ATOM 0 HE2 PHE A 121 5.938 6.540 6.016 1.00 13.32 H new ATOM 0 HZ PHE A 121 6.800 4.473 7.030 1.00 12.22 H new ATOM 390 N ALA A 122 0.082 6.149 2.715 1.00 60.43 N ATOM 391 CA ALA A 122 -1.011 6.616 1.846 1.00 25.53 C ATOM 392 C ALA A 122 -0.965 5.971 0.449 1.00 34.32 C ATOM 393 O ALA A 122 0.100 5.869 -0.162 1.00 22.45 O ATOM 394 CB ALA A 122 -0.939 8.146 1.729 1.00 72.31 C ATOM 0 H ALA A 122 0.855 6.812 2.775 1.00 60.43 H new ATOM 0 HA ALA A 122 -1.956 6.316 2.300 1.00 25.53 H new ATOM 0 HB1 ALA A 122 -1.745 8.500 1.087 1.00 72.31 H new ATOM 0 HB2 ALA A 122 -1.041 8.592 2.718 1.00 72.31 H new ATOM 0 HB3 ALA A 122 0.020 8.433 1.299 1.00 72.31 H new ATOM 400 N HIS A 123 -2.147 5.572 -0.052 1.00 63.30 N ATOM 401 CA HIS A 123 -2.325 4.996 -1.408 1.00 32.31 C ATOM 402 C HIS A 123 -2.803 6.091 -2.388 1.00 51.23 C ATOM 403 O HIS A 123 -3.462 5.802 -3.394 1.00 21.20 O ATOM 404 CB HIS A 123 -3.354 3.828 -1.334 1.00 54.32 C ATOM 405 CG HIS A 123 -2.928 2.665 -0.472 1.00 70.05 C ATOM 406 ND1 HIS A 123 -3.760 1.633 -0.108 1.00 35.42 N ATOM 407 CD2 HIS A 123 -1.726 2.379 0.083 1.00 34.34 C ATOM 408 CE1 HIS A 123 -3.058 0.780 0.639 1.00 12.54 C ATOM 409 NE2 HIS A 123 -1.801 1.185 0.787 1.00 43.44 N ATOM 0 H HIS A 123 -3.018 5.639 0.474 1.00 63.30 H new ATOM 0 HA HIS A 123 -1.375 4.608 -1.774 1.00 32.31 H new ATOM 0 HB2 HIS A 123 -4.298 4.218 -0.954 1.00 54.32 H new ATOM 0 HB3 HIS A 123 -3.543 3.464 -2.344 1.00 54.32 H new ATOM 0 HD2 HIS A 123 -0.840 2.990 -0.009 1.00 34.34 H new ATOM 0 HE1 HIS A 123 -3.460 -0.125 1.069 1.00 12.54 H new ATOM 0 HE2 HIS A 123 -1.055 0.720 1.304 1.00 43.44 H new ATOM 417 N GLY A 124 -2.413 7.343 -2.094 1.00 55.25 N ATOM 418 CA GLY A 124 -2.812 8.507 -2.877 1.00 61.13 C ATOM 419 C GLY A 124 -2.483 9.801 -2.151 1.00 72.23 C ATOM 420 O GLY A 124 -2.273 9.796 -0.928 1.00 24.41 O ATOM 0 H GLY A 124 -1.810 7.568 -1.303 1.00 55.25 H new ATOM 0 HA2 GLY A 124 -2.305 8.490 -3.842 1.00 61.13 H new ATOM 0 HA3 GLY A 124 -3.882 8.463 -3.079 1.00 61.13 H new ATOM 424 N VAL A 125 -2.453 10.920 -2.901 1.00 21.22 N ATOM 425 CA VAL A 125 -2.170 12.265 -2.350 1.00 71.15 C ATOM 426 C VAL A 125 -3.300 12.721 -1.396 1.00 73.24 C ATOM 427 O VAL A 125 -3.081 13.528 -0.490 1.00 10.40 O ATOM 428 CB VAL A 125 -1.961 13.321 -3.505 1.00 74.05 C ATOM 429 CG1 VAL A 125 -3.259 13.552 -4.328 1.00 72.34 C ATOM 430 CG2 VAL A 125 -1.377 14.656 -2.966 1.00 12.51 C ATOM 0 H VAL A 125 -2.624 10.920 -3.907 1.00 21.22 H new ATOM 0 HA VAL A 125 -1.244 12.200 -1.778 1.00 71.15 H new ATOM 0 HB VAL A 125 -1.224 12.899 -4.188 1.00 74.05 H new ATOM 0 HG11 VAL A 125 -3.068 14.286 -5.111 1.00 72.34 H new ATOM 0 HG12 VAL A 125 -3.575 12.612 -4.781 1.00 72.34 H new ATOM 0 HG13 VAL A 125 -4.046 13.920 -3.670 1.00 72.34 H new ATOM 0 HG21 VAL A 125 -1.248 15.356 -3.791 1.00 12.51 H new ATOM 0 HG22 VAL A 125 -2.061 15.082 -2.232 1.00 12.51 H new ATOM 0 HG23 VAL A 125 -0.412 14.467 -2.496 1.00 12.51 H new ATOM 440 N HIS A 126 -4.498 12.145 -1.610 1.00 62.43 N ATOM 441 CA HIS A 126 -5.723 12.448 -0.846 1.00 53.02 C ATOM 442 C HIS A 126 -5.569 12.044 0.632 1.00 72.12 C ATOM 443 O HIS A 126 -6.094 12.711 1.531 1.00 62.22 O ATOM 444 CB HIS A 126 -6.929 11.696 -1.475 1.00 53.42 C ATOM 445 CG HIS A 126 -6.997 11.798 -2.979 1.00 51.15 C ATOM 446 ND1 HIS A 126 -6.381 10.865 -3.783 1.00 72.00 N ATOM 447 CD2 HIS A 126 -7.584 12.734 -3.766 1.00 55.22 C ATOM 448 CE1 HIS A 126 -6.602 11.248 -5.025 1.00 12.20 C ATOM 449 NE2 HIS A 126 -7.326 12.375 -5.066 1.00 20.30 N ATOM 0 H HIS A 126 -4.644 11.441 -2.334 1.00 62.43 H new ATOM 0 HA HIS A 126 -5.898 13.523 -0.888 1.00 53.02 H new ATOM 0 HB2 HIS A 126 -6.875 10.644 -1.194 1.00 53.42 H new ATOM 0 HB3 HIS A 126 -7.852 12.092 -1.052 1.00 53.42 H new ATOM 0 HD2 HIS A 126 -8.146 13.595 -3.434 1.00 55.22 H new ATOM 0 HE1 HIS A 126 -6.245 10.721 -5.898 1.00 12.20 H new ATOM 0 HE2 HIS A 126 -7.628 12.872 -5.904 1.00 20.30 H new ATOM 457 N GLU A 127 -4.826 10.945 0.863 1.00 35.43 N ATOM 458 CA GLU A 127 -4.646 10.356 2.202 1.00 23.24 C ATOM 459 C GLU A 127 -3.385 10.886 2.908 1.00 13.53 C ATOM 460 O GLU A 127 -3.095 10.460 4.026 1.00 63.32 O ATOM 461 CB GLU A 127 -4.582 8.810 2.104 1.00 20.22 C ATOM 462 CG GLU A 127 -5.814 8.154 1.457 1.00 24.54 C ATOM 463 CD GLU A 127 -5.791 6.617 1.539 1.00 31.23 C ATOM 464 OE1 GLU A 127 -5.058 5.983 0.756 1.00 13.40 O ATOM 465 OE2 GLU A 127 -6.502 6.038 2.394 1.00 63.21 O ATOM 0 H GLU A 127 -4.334 10.441 0.126 1.00 35.43 H new ATOM 0 HA GLU A 127 -5.508 10.651 2.801 1.00 23.24 H new ATOM 0 HB2 GLU A 127 -3.697 8.532 1.531 1.00 20.22 H new ATOM 0 HB3 GLU A 127 -4.454 8.401 3.106 1.00 20.22 H new ATOM 0 HG2 GLU A 127 -6.715 8.525 1.946 1.00 24.54 H new ATOM 0 HG3 GLU A 127 -5.872 8.456 0.411 1.00 24.54 H new ATOM 472 N LEU A 128 -2.656 11.830 2.277 1.00 44.32 N ATOM 473 CA LEU A 128 -1.401 12.364 2.840 1.00 21.42 C ATOM 474 C LEU A 128 -1.726 13.313 3.992 1.00 51.14 C ATOM 475 O LEU A 128 -2.321 14.372 3.788 1.00 1.03 O ATOM 476 CB LEU A 128 -0.536 13.066 1.757 1.00 65.31 C ATOM 477 CG LEU A 128 0.228 12.110 0.787 1.00 34.23 C ATOM 478 CD1 LEU A 128 1.033 12.896 -0.268 1.00 21.54 C ATOM 479 CD2 LEU A 128 1.145 11.146 1.576 1.00 21.43 C ATOM 0 H LEU A 128 -2.916 12.237 1.378 1.00 44.32 H new ATOM 0 HA LEU A 128 -0.808 11.532 3.220 1.00 21.42 H new ATOM 0 HB2 LEU A 128 -1.181 13.716 1.166 1.00 65.31 H new ATOM 0 HB3 LEU A 128 0.191 13.707 2.256 1.00 65.31 H new ATOM 0 HG LEU A 128 -0.516 11.517 0.255 1.00 34.23 H new ATOM 0 HD11 LEU A 128 1.551 12.197 -0.925 1.00 21.54 H new ATOM 0 HD12 LEU A 128 0.355 13.513 -0.857 1.00 21.54 H new ATOM 0 HD13 LEU A 128 1.763 13.533 0.232 1.00 21.54 H new ATOM 0 HD21 LEU A 128 1.667 10.489 0.880 1.00 21.43 H new ATOM 0 HD22 LEU A 128 1.873 11.722 2.147 1.00 21.43 H new ATOM 0 HD23 LEU A 128 0.542 10.546 2.258 1.00 21.43 H new ATOM 491 N ARG A 129 -1.379 12.886 5.210 1.00 74.43 N ATOM 492 CA ARG A 129 -1.685 13.613 6.439 1.00 74.42 C ATOM 493 C ARG A 129 -0.443 14.415 6.843 1.00 51.14 C ATOM 494 O ARG A 129 0.536 13.837 7.328 1.00 2.44 O ATOM 495 CB ARG A 129 -2.121 12.614 7.557 1.00 55.45 C ATOM 496 CG ARG A 129 -3.196 11.560 7.148 1.00 24.14 C ATOM 497 CD ARG A 129 -4.573 12.147 6.744 1.00 60.14 C ATOM 498 NE ARG A 129 -4.561 12.869 5.457 1.00 34.24 N ATOM 499 CZ ARG A 129 -5.506 13.722 5.024 1.00 1.43 C ATOM 500 NH1 ARG A 129 -6.581 13.985 5.759 1.00 74.41 N ATOM 501 NH2 ARG A 129 -5.352 14.335 3.859 1.00 60.32 N ATOM 0 H ARG A 129 -0.872 12.015 5.369 1.00 74.43 H new ATOM 0 HA ARG A 129 -2.515 14.302 6.284 1.00 74.42 H new ATOM 0 HB2 ARG A 129 -1.236 12.084 7.909 1.00 55.45 H new ATOM 0 HB3 ARG A 129 -2.505 13.188 8.400 1.00 55.45 H new ATOM 0 HG2 ARG A 129 -2.809 10.975 6.314 1.00 24.14 H new ATOM 0 HG3 ARG A 129 -3.342 10.871 7.980 1.00 24.14 H new ATOM 0 HD2 ARG A 129 -5.300 11.337 6.688 1.00 60.14 H new ATOM 0 HD3 ARG A 129 -4.912 12.826 7.527 1.00 60.14 H new ATOM 0 HE ARG A 129 -3.765 12.706 4.841 1.00 34.24 H new ATOM 0 HH11 ARG A 129 -6.700 13.537 6.668 1.00 74.41 H new ATOM 0 HH12 ARG A 129 -7.288 14.635 5.415 1.00 74.41 H new ATOM 0 HH21 ARG A 129 -4.520 14.159 3.296 1.00 60.32 H new ATOM 0 HH22 ARG A 129 -6.066 14.983 3.525 1.00 60.32 H new ATOM 772 N VAL A 145 -4.216 39.846 24.336 1.00 62.52 N ATOM 773 CA VAL A 145 -3.359 41.040 24.176 1.00 43.32 C ATOM 774 C VAL A 145 -3.480 41.944 25.425 1.00 10.40 C ATOM 775 O VAL A 145 -4.568 42.062 26.000 1.00 22.04 O ATOM 776 CB VAL A 145 -3.758 41.839 22.874 1.00 72.34 C ATOM 777 CG1 VAL A 145 -2.862 43.088 22.663 1.00 34.35 C ATOM 778 CG2 VAL A 145 -3.731 40.919 21.625 1.00 0.23 C ATOM 0 HA VAL A 145 -2.323 40.718 24.072 1.00 43.32 H new ATOM 0 HB VAL A 145 -4.779 42.193 23.014 1.00 72.34 H new ATOM 0 HG11 VAL A 145 -3.171 43.608 21.756 1.00 34.35 H new ATOM 0 HG12 VAL A 145 -2.963 43.757 23.518 1.00 34.35 H new ATOM 0 HG13 VAL A 145 -1.822 42.777 22.567 1.00 34.35 H new ATOM 0 HG21 VAL A 145 -4.010 41.495 20.743 1.00 0.23 H new ATOM 0 HG22 VAL A 145 -2.727 40.515 21.492 1.00 0.23 H new ATOM 0 HG23 VAL A 145 -4.437 40.100 21.761 1.00 0.23 H new ATOM 788 N LEU A 146 -2.353 42.564 25.836 1.00 2.11 N ATOM 789 CA LEU A 146 -2.293 43.471 27.004 1.00 23.40 C ATOM 790 C LEU A 146 -2.872 44.864 26.671 1.00 75.24 C ATOM 791 O LEU A 146 -2.972 45.253 25.498 1.00 73.45 O ATOM 792 CB LEU A 146 -0.827 43.619 27.504 1.00 64.43 C ATOM 793 CG LEU A 146 -0.097 42.299 27.912 1.00 55.35 C ATOM 794 CD1 LEU A 146 1.342 42.580 28.399 1.00 41.22 C ATOM 795 CD2 LEU A 146 -0.909 41.506 28.963 1.00 64.55 C ATOM 0 H LEU A 146 -1.455 42.449 25.365 1.00 2.11 H new ATOM 0 HA LEU A 146 -2.901 43.028 27.793 1.00 23.40 H new ATOM 0 HB2 LEU A 146 -0.245 44.103 26.719 1.00 64.43 H new ATOM 0 HB3 LEU A 146 -0.825 44.290 28.363 1.00 64.43 H new ATOM 0 HG LEU A 146 -0.023 41.675 27.021 1.00 55.35 H new ATOM 0 HD11 LEU A 146 1.822 41.641 28.675 1.00 41.22 H new ATOM 0 HD12 LEU A 146 1.910 43.057 27.600 1.00 41.22 H new ATOM 0 HD13 LEU A 146 1.310 43.240 29.266 1.00 41.22 H new ATOM 0 HD21 LEU A 146 -0.373 40.594 29.224 1.00 64.55 H new ATOM 0 HD22 LEU A 146 -1.043 42.117 29.856 1.00 64.55 H new ATOM 0 HD23 LEU A 146 -1.884 41.248 28.550 1.00 64.55 H new ATOM 807 N CYS A 147 -3.245 45.599 27.727 1.00 74.40 N ATOM 808 CA CYS A 147 -3.808 46.955 27.634 1.00 74.44 C ATOM 809 C CYS A 147 -2.669 47.967 27.502 1.00 12.43 C ATOM 810 O CYS A 147 -1.866 48.099 28.422 1.00 41.42 O ATOM 811 CB CYS A 147 -4.654 47.223 28.899 1.00 75.50 C ATOM 812 SG CYS A 147 -5.471 48.851 29.001 1.00 21.40 S ATOM 0 H CYS A 147 -3.163 45.263 28.687 1.00 74.40 H new ATOM 0 HA CYS A 147 -4.448 47.050 26.757 1.00 74.44 H new ATOM 0 HB2 CYS A 147 -5.421 46.451 28.966 1.00 75.50 H new ATOM 0 HB3 CYS A 147 -4.010 47.109 29.771 1.00 75.50 H new ATOM 0 HG CYS A 147 -6.592 48.816 28.343 1.00 21.40 H new ATOM 817 N ASP A 148 -2.607 48.662 26.353 1.00 24.32 N ATOM 818 CA ASP A 148 -1.523 49.616 26.024 1.00 74.20 C ATOM 819 C ASP A 148 -1.404 50.711 27.091 1.00 75.04 C ATOM 820 O ASP A 148 -0.335 50.906 27.676 1.00 44.14 O ATOM 821 CB ASP A 148 -1.773 50.258 24.632 1.00 73.04 C ATOM 822 CG ASP A 148 -1.797 49.222 23.499 1.00 24.34 C ATOM 823 OD1 ASP A 148 -0.745 48.981 22.872 1.00 74.31 O ATOM 824 OD2 ASP A 148 -2.866 48.618 23.253 1.00 52.33 O ATOM 0 H ASP A 148 -3.310 48.580 25.619 1.00 24.32 H new ATOM 0 HA ASP A 148 -0.586 49.060 25.999 1.00 74.20 H new ATOM 0 HB2 ASP A 148 -2.722 50.795 24.649 1.00 73.04 H new ATOM 0 HB3 ASP A 148 -0.994 50.994 24.430 1.00 73.04 H new ATOM 829 N LYS A 149 -2.540 51.377 27.362 1.00 31.53 N ATOM 830 CA LYS A 149 -2.620 52.501 28.310 1.00 42.21 C ATOM 831 C LYS A 149 -2.175 52.078 29.723 1.00 73.55 C ATOM 832 O LYS A 149 -1.371 52.759 30.357 1.00 13.23 O ATOM 833 CB LYS A 149 -4.068 53.066 28.354 1.00 10.12 C ATOM 834 CG LYS A 149 -4.610 53.576 26.998 1.00 41.34 C ATOM 835 CD LYS A 149 -3.785 54.751 26.404 1.00 43.25 C ATOM 836 CE LYS A 149 -3.821 56.020 27.277 1.00 54.51 C ATOM 837 NZ LYS A 149 -3.113 57.160 26.639 1.00 54.00 N ATOM 0 H LYS A 149 -3.434 51.149 26.927 1.00 31.53 H new ATOM 0 HA LYS A 149 -1.941 53.280 27.962 1.00 42.21 H new ATOM 0 HB2 LYS A 149 -4.735 52.288 28.726 1.00 10.12 H new ATOM 0 HB3 LYS A 149 -4.101 53.885 29.073 1.00 10.12 H new ATOM 0 HG2 LYS A 149 -4.618 52.751 26.285 1.00 41.34 H new ATOM 0 HG3 LYS A 149 -5.644 53.897 27.126 1.00 41.34 H new ATOM 0 HD2 LYS A 149 -2.750 54.433 26.279 1.00 43.25 H new ATOM 0 HD3 LYS A 149 -4.167 54.990 25.411 1.00 43.25 H new ATOM 0 HE2 LYS A 149 -4.857 56.299 27.467 1.00 54.51 H new ATOM 0 HE3 LYS A 149 -3.365 55.807 28.244 1.00 54.51 H new ATOM 0 HZ1 LYS A 149 -3.163 57.992 27.261 1.00 54.00 H new ATOM 0 HZ2 LYS A 149 -2.117 56.905 26.480 1.00 54.00 H new ATOM 0 HZ3 LYS A 149 -3.563 57.382 25.728 1.00 54.00 H new ATOM 851 N PHE A 150 -2.670 50.913 30.172 1.00 55.53 N ATOM 852 CA PHE A 150 -2.472 50.434 31.554 1.00 64.20 C ATOM 853 C PHE A 150 -1.033 49.890 31.749 1.00 23.55 C ATOM 854 O PHE A 150 -0.490 49.956 32.853 1.00 1.31 O ATOM 855 CB PHE A 150 -3.545 49.362 31.883 1.00 65.23 C ATOM 856 CG PHE A 150 -3.685 49.018 33.369 1.00 24.15 C ATOM 857 CD1 PHE A 150 -4.590 49.710 34.175 1.00 54.13 C ATOM 858 CD2 PHE A 150 -2.921 48.011 33.959 1.00 40.11 C ATOM 859 CE1 PHE A 150 -4.724 49.405 35.514 1.00 11.40 C ATOM 860 CE2 PHE A 150 -3.056 47.710 35.298 1.00 61.02 C ATOM 861 CZ PHE A 150 -3.958 48.407 36.076 1.00 34.44 C ATOM 0 H PHE A 150 -3.217 50.277 29.591 1.00 55.53 H new ATOM 0 HA PHE A 150 -2.591 51.266 32.248 1.00 64.20 H new ATOM 0 HB2 PHE A 150 -4.510 49.711 31.514 1.00 65.23 H new ATOM 0 HB3 PHE A 150 -3.305 48.450 31.336 1.00 65.23 H new ATOM 0 HD1 PHE A 150 -5.194 50.495 33.745 1.00 54.13 H new ATOM 0 HD2 PHE A 150 -2.213 47.459 33.358 1.00 40.11 H new ATOM 0 HE1 PHE A 150 -5.431 49.950 36.123 1.00 11.40 H new ATOM 0 HE2 PHE A 150 -2.455 46.928 35.738 1.00 61.02 H new ATOM 0 HZ PHE A 150 -4.063 48.170 37.124 1.00 34.44 H new ATOM 871 N SER A 151 -0.425 49.365 30.669 1.00 74.51 N ATOM 872 CA SER A 151 0.964 48.854 30.700 1.00 31.22 C ATOM 873 C SER A 151 1.984 50.008 30.768 1.00 60.33 C ATOM 874 O SER A 151 3.056 49.859 31.368 1.00 74.23 O ATOM 875 CB SER A 151 1.251 47.980 29.455 1.00 62.44 C ATOM 876 OG SER A 151 0.400 46.847 29.403 1.00 62.41 O ATOM 0 H SER A 151 -0.875 49.282 29.757 1.00 74.51 H new ATOM 0 HA SER A 151 1.069 48.246 31.598 1.00 31.22 H new ATOM 0 HB2 SER A 151 1.118 48.577 28.553 1.00 62.44 H new ATOM 0 HB3 SER A 151 2.291 47.654 29.471 1.00 62.44 H new ATOM 0 HG SER A 151 -0.481 47.115 29.067 1.00 62.41 H new ATOM 882 N MET A 152 1.644 51.151 30.139 1.00 14.34 N ATOM 883 CA MET A 152 2.560 52.305 30.023 1.00 60.32 C ATOM 884 C MET A 152 2.434 53.258 31.229 1.00 32.41 C ATOM 885 O MET A 152 3.435 53.585 31.872 1.00 2.14 O ATOM 886 CB MET A 152 2.300 53.069 28.692 1.00 1.13 C ATOM 887 CG MET A 152 2.582 52.243 27.424 1.00 14.54 C ATOM 888 SD MET A 152 2.383 53.189 25.891 1.00 2.41 S ATOM 889 CE MET A 152 0.639 53.607 25.918 1.00 15.34 C ATOM 0 H MET A 152 0.735 51.300 29.701 1.00 14.34 H new ATOM 0 HA MET A 152 3.580 51.920 30.017 1.00 60.32 H new ATOM 0 HB2 MET A 152 1.262 53.400 28.673 1.00 1.13 H new ATOM 0 HB3 MET A 152 2.920 53.965 28.674 1.00 1.13 H new ATOM 0 HG2 MET A 152 3.599 51.853 27.472 1.00 14.54 H new ATOM 0 HG3 MET A 152 1.911 51.384 27.402 1.00 14.54 H new ATOM 0 HE1 MET A 152 0.162 53.235 25.012 1.00 15.34 H new ATOM 0 HE2 MET A 152 0.169 53.151 26.789 1.00 15.34 H new ATOM 0 HE3 MET A 152 0.525 54.690 25.970 1.00 15.34 H new ATOM 899 N THR A 153 1.196 53.693 31.531 1.00 3.44 N ATOM 900 CA THR A 153 0.929 54.722 32.566 1.00 60.11 C ATOM 901 C THR A 153 0.507 54.091 33.908 1.00 13.33 C ATOM 902 O THR A 153 0.718 54.686 34.974 1.00 60.14 O ATOM 903 CB THR A 153 -0.183 55.721 32.097 1.00 20.24 C ATOM 904 OG1 THR A 153 -1.437 55.032 31.950 1.00 54.52 O ATOM 905 CG2 THR A 153 0.181 56.411 30.768 1.00 44.52 C ATOM 0 H THR A 153 0.354 53.347 31.070 1.00 3.44 H new ATOM 0 HA THR A 153 1.864 55.263 32.713 1.00 60.11 H new ATOM 0 HB THR A 153 -0.268 56.491 32.863 1.00 20.24 H new ATOM 0 HG1 THR A 153 -1.325 54.277 31.335 1.00 54.52 H new ATOM 0 HG21 THR A 153 -0.619 57.094 30.482 1.00 44.52 H new ATOM 0 HG22 THR A 153 1.109 56.969 30.890 1.00 44.52 H new ATOM 0 HG23 THR A 153 0.310 55.658 29.991 1.00 44.52 H new ATOM 913 N GLY A 154 -0.093 52.888 33.839 1.00 62.22 N ATOM 914 CA GLY A 154 -0.706 52.246 35.008 1.00 51.10 C ATOM 915 C GLY A 154 -2.191 52.572 35.135 1.00 24.01 C ATOM 916 O GLY A 154 -2.835 52.176 36.112 1.00 23.12 O ATOM 0 H GLY A 154 -0.164 52.342 32.980 1.00 62.22 H new ATOM 0 HA2 GLY A 154 -0.578 51.166 34.935 1.00 51.10 H new ATOM 0 HA3 GLY A 154 -0.187 52.568 35.911 1.00 51.10 H new ATOM 920 N ASN A 155 -2.738 53.295 34.135 1.00 51.42 N ATOM 921 CA ASN A 155 -4.149 53.734 34.105 1.00 15.23 C ATOM 922 C ASN A 155 -4.739 53.512 32.706 1.00 62.31 C ATOM 923 O ASN A 155 -4.076 53.775 31.696 1.00 44.04 O ATOM 924 CB ASN A 155 -4.266 55.237 34.495 1.00 45.40 C ATOM 925 CG ASN A 155 -3.977 55.510 35.973 1.00 30.12 C ATOM 926 OD1 ASN A 155 -2.841 55.788 36.366 1.00 52.24 O ATOM 927 ND2 ASN A 155 -5.006 55.428 36.803 1.00 40.23 N ATOM 0 H ASN A 155 -2.207 53.593 33.317 1.00 51.42 H new ATOM 0 HA ASN A 155 -4.709 53.142 34.829 1.00 15.23 H new ATOM 0 HB2 ASN A 155 -3.574 55.817 33.885 1.00 45.40 H new ATOM 0 HB3 ASN A 155 -5.271 55.588 34.259 1.00 45.40 H new ATOM 0 HD21 ASN A 155 -4.872 55.597 37.800 1.00 40.23 H new ATOM 0 HD22 ASN A 155 -5.933 55.196 36.445 1.00 40.23 H new ATOM 934 N CYS A 156 -5.994 53.032 32.659 1.00 21.31 N ATOM 935 CA CYS A 156 -6.739 52.798 31.408 1.00 71.14 C ATOM 936 C CYS A 156 -8.041 53.618 31.419 1.00 34.40 C ATOM 937 O CYS A 156 -8.854 53.488 32.343 1.00 5.11 O ATOM 938 CB CYS A 156 -7.036 51.297 31.255 1.00 52.54 C ATOM 939 SG CYS A 156 -7.981 50.843 29.763 1.00 71.54 S ATOM 0 H CYS A 156 -6.525 52.793 33.496 1.00 21.31 H new ATOM 0 HA CYS A 156 -6.138 53.118 30.557 1.00 71.14 H new ATOM 0 HB2 CYS A 156 -6.091 50.755 31.246 1.00 52.54 H new ATOM 0 HB3 CYS A 156 -7.588 50.961 32.132 1.00 52.54 H new ATOM 0 HG CYS A 156 -7.448 49.791 29.215 1.00 71.54 H new ATOM 944 N LYS A 157 -8.225 54.456 30.381 1.00 72.41 N ATOM 945 CA LYS A 157 -9.385 55.371 30.256 1.00 64.44 C ATOM 946 C LYS A 157 -10.714 54.614 30.036 1.00 43.24 C ATOM 947 O LYS A 157 -11.789 55.133 30.358 1.00 5.51 O ATOM 948 CB LYS A 157 -9.138 56.382 29.103 1.00 71.22 C ATOM 949 CG LYS A 157 -8.921 55.742 27.710 1.00 34.44 C ATOM 950 CD LYS A 157 -8.656 56.786 26.599 1.00 74.51 C ATOM 951 CE LYS A 157 -7.373 57.608 26.832 1.00 33.42 C ATOM 952 NZ LYS A 157 -7.143 58.610 25.759 1.00 54.52 N ATOM 0 H LYS A 157 -7.572 54.521 29.600 1.00 72.41 H new ATOM 0 HA LYS A 157 -9.481 55.909 31.199 1.00 64.44 H new ATOM 0 HB2 LYS A 157 -9.989 57.061 29.046 1.00 71.22 H new ATOM 0 HB3 LYS A 157 -8.264 56.986 29.349 1.00 71.22 H new ATOM 0 HG2 LYS A 157 -8.079 55.052 27.761 1.00 34.44 H new ATOM 0 HG3 LYS A 157 -9.800 55.154 27.446 1.00 34.44 H new ATOM 0 HD2 LYS A 157 -8.583 56.275 25.639 1.00 74.51 H new ATOM 0 HD3 LYS A 157 -9.507 57.464 26.535 1.00 74.51 H new ATOM 0 HE2 LYS A 157 -7.440 58.117 27.793 1.00 33.42 H new ATOM 0 HE3 LYS A 157 -6.518 56.935 26.887 1.00 33.42 H new ATOM 0 HZ1 LYS A 157 -6.270 59.138 25.959 1.00 54.52 H new ATOM 0 HZ2 LYS A 157 -7.052 58.124 24.844 1.00 54.52 H new ATOM 0 HZ3 LYS A 157 -7.946 59.270 25.722 1.00 54.52 H new ATOM 966 N TYR A 158 -10.624 53.388 29.489 1.00 73.12 N ATOM 967 CA TYR A 158 -11.798 52.528 29.235 1.00 1.25 C ATOM 968 C TYR A 158 -12.273 51.847 30.536 1.00 34.12 C ATOM 969 O TYR A 158 -13.444 51.470 30.646 1.00 30.40 O ATOM 970 CB TYR A 158 -11.468 51.469 28.157 1.00 33.11 C ATOM 971 CG TYR A 158 -10.995 52.053 26.816 1.00 33.11 C ATOM 972 CD1 TYR A 158 -11.910 52.497 25.854 1.00 40.22 C ATOM 973 CD2 TYR A 158 -9.636 52.160 26.511 1.00 71.42 C ATOM 974 CE1 TYR A 158 -11.482 53.020 24.647 1.00 64.23 C ATOM 975 CE2 TYR A 158 -9.207 52.682 25.307 1.00 64.23 C ATOM 976 CZ TYR A 158 -10.133 53.110 24.379 1.00 72.24 C ATOM 977 OH TYR A 158 -9.705 53.633 23.175 1.00 74.42 O ATOM 0 H TYR A 158 -9.739 52.965 29.211 1.00 73.12 H new ATOM 0 HA TYR A 158 -12.608 53.157 28.867 1.00 1.25 H new ATOM 0 HB2 TYR A 158 -10.695 50.804 28.543 1.00 33.11 H new ATOM 0 HB3 TYR A 158 -12.354 50.859 27.981 1.00 33.11 H new ATOM 0 HD1 TYR A 158 -12.968 52.430 26.058 1.00 40.22 H new ATOM 0 HD2 TYR A 158 -8.905 51.827 27.233 1.00 71.42 H new ATOM 0 HE1 TYR A 158 -12.203 53.357 23.917 1.00 64.23 H new ATOM 0 HE2 TYR A 158 -8.151 52.755 25.093 1.00 64.23 H new ATOM 0 HH TYR A 158 -8.725 53.627 23.145 1.00 74.42 H new ATOM 987 N GLY A 159 -11.345 51.693 31.505 1.00 61.41 N ATOM 988 CA GLY A 159 -11.651 51.108 32.816 1.00 35.41 C ATOM 989 C GLY A 159 -12.083 49.645 32.737 1.00 54.22 C ATOM 990 O GLY A 159 -11.368 48.822 32.164 1.00 30.11 O ATOM 0 H GLY A 159 -10.370 51.971 31.396 1.00 61.41 H new ATOM 0 HA2 GLY A 159 -10.772 51.186 33.456 1.00 35.41 H new ATOM 0 HA3 GLY A 159 -12.443 51.689 33.290 1.00 35.41 H new ATOM 994 N THR A 160 -13.268 49.330 33.290 1.00 3.13 N ATOM 995 CA THR A 160 -13.840 47.966 33.268 1.00 32.32 C ATOM 996 C THR A 160 -14.331 47.576 31.856 1.00 20.03 C ATOM 997 O THR A 160 -14.476 46.387 31.550 1.00 45.32 O ATOM 998 CB THR A 160 -15.016 47.837 34.289 1.00 14.52 C ATOM 999 OG1 THR A 160 -15.996 48.856 34.028 1.00 53.23 O ATOM 1000 CG2 THR A 160 -14.531 47.950 35.748 1.00 74.22 C ATOM 0 H THR A 160 -13.859 50.012 33.766 1.00 3.13 H new ATOM 0 HA THR A 160 -13.042 47.281 33.555 1.00 32.32 H new ATOM 0 HB THR A 160 -15.457 46.848 34.162 1.00 14.52 H new ATOM 0 HG1 THR A 160 -16.733 48.772 34.668 1.00 53.23 H new ATOM 0 HG21 THR A 160 -15.382 47.855 36.423 1.00 74.22 H new ATOM 0 HG22 THR A 160 -13.813 47.157 35.955 1.00 74.22 H new ATOM 0 HG23 THR A 160 -14.055 48.919 35.899 1.00 74.22 H new ATOM 1008 N ARG A 161 -14.581 48.593 31.004 1.00 10.10 N ATOM 1009 CA ARG A 161 -15.009 48.396 29.600 1.00 13.34 C ATOM 1010 C ARG A 161 -13.812 48.111 28.666 1.00 71.12 C ATOM 1011 O ARG A 161 -14.004 47.903 27.461 1.00 75.43 O ATOM 1012 CB ARG A 161 -15.808 49.632 29.099 1.00 22.31 C ATOM 1013 CG ARG A 161 -17.110 49.922 29.879 1.00 1.53 C ATOM 1014 CD ARG A 161 -18.067 48.713 29.923 1.00 61.33 C ATOM 1015 NE ARG A 161 -18.371 48.186 28.576 1.00 52.00 N ATOM 1016 CZ ARG A 161 -18.950 47.001 28.316 1.00 31.34 C ATOM 1017 NH1 ARG A 161 -19.314 46.179 29.299 1.00 31.12 N ATOM 1018 NH2 ARG A 161 -19.144 46.634 27.058 1.00 13.44 N ATOM 0 H ARG A 161 -14.492 49.574 31.269 1.00 10.10 H new ATOM 0 HA ARG A 161 -15.657 47.520 29.575 1.00 13.34 H new ATOM 0 HB2 ARG A 161 -15.164 50.510 29.155 1.00 22.31 H new ATOM 0 HB3 ARG A 161 -16.056 49.485 28.048 1.00 22.31 H new ATOM 0 HG2 ARG A 161 -16.859 50.217 30.898 1.00 1.53 H new ATOM 0 HG3 ARG A 161 -17.622 50.767 29.419 1.00 1.53 H new ATOM 0 HD2 ARG A 161 -17.622 47.923 30.528 1.00 61.33 H new ATOM 0 HD3 ARG A 161 -18.995 49.005 30.414 1.00 61.33 H new ATOM 0 HE ARG A 161 -18.121 48.770 27.778 1.00 52.00 H new ATOM 0 HH11 ARG A 161 -19.155 46.444 30.271 1.00 31.12 H new ATOM 0 HH12 ARG A 161 -19.752 45.284 29.080 1.00 31.12 H new ATOM 0 HH21 ARG A 161 -18.855 47.249 26.297 1.00 13.44 H new ATOM 0 HH22 ARG A 161 -19.582 45.737 26.850 1.00 13.44 H new ATOM 1032 N CYS A 162 -12.586 48.112 29.227 1.00 64.11 N ATOM 1033 CA CYS A 162 -11.362 47.773 28.485 1.00 11.04 C ATOM 1034 C CYS A 162 -11.336 46.275 28.157 1.00 71.35 C ATOM 1035 O CYS A 162 -11.428 45.435 29.059 1.00 34.04 O ATOM 1036 CB CYS A 162 -10.119 48.160 29.301 1.00 13.52 C ATOM 1037 SG CYS A 162 -8.529 47.830 28.477 1.00 75.00 S ATOM 0 H CYS A 162 -12.420 48.348 30.205 1.00 64.11 H new ATOM 0 HA CYS A 162 -11.355 48.335 27.551 1.00 11.04 H new ATOM 0 HB2 CYS A 162 -10.175 49.222 29.539 1.00 13.52 H new ATOM 0 HB3 CYS A 162 -10.141 47.619 30.247 1.00 13.52 H new ATOM 0 HG CYS A 162 -8.166 46.604 28.710 1.00 75.00 H new ATOM 1042 N GLN A 163 -11.224 45.964 26.864 1.00 21.43 N ATOM 1043 CA GLN A 163 -11.226 44.584 26.357 1.00 4.03 C ATOM 1044 C GLN A 163 -9.865 43.891 26.595 1.00 5.01 C ATOM 1045 O GLN A 163 -9.809 42.678 26.830 1.00 75.24 O ATOM 1046 CB GLN A 163 -11.597 44.600 24.849 1.00 54.52 C ATOM 1047 CG GLN A 163 -10.635 45.411 23.952 1.00 33.34 C ATOM 1048 CD GLN A 163 -11.005 45.380 22.468 1.00 1.51 C ATOM 1049 OE1 GLN A 163 -10.547 44.521 21.714 1.00 0.23 O ATOM 1050 NE2 GLN A 163 -11.848 46.307 22.046 1.00 55.34 N ATOM 0 H GLN A 163 -11.128 46.666 26.131 1.00 21.43 H new ATOM 0 HA GLN A 163 -11.970 44.005 26.903 1.00 4.03 H new ATOM 0 HB2 GLN A 163 -11.629 43.573 24.487 1.00 54.52 H new ATOM 0 HB3 GLN A 163 -12.602 45.008 24.741 1.00 54.52 H new ATOM 0 HG2 GLN A 163 -10.621 46.446 24.292 1.00 33.34 H new ATOM 0 HG3 GLN A 163 -9.624 45.022 24.074 1.00 33.34 H new ATOM 0 HE21 GLN A 163 -12.208 47.004 22.698 1.00 55.34 H new ATOM 0 HE22 GLN A 163 -12.138 46.325 21.068 1.00 55.34 H new ATOM 1059 N PHE A 164 -8.779 44.681 26.560 1.00 20.30 N ATOM 1060 CA PHE A 164 -7.403 44.167 26.679 1.00 72.30 C ATOM 1061 C PHE A 164 -7.005 43.973 28.156 1.00 23.41 C ATOM 1062 O PHE A 164 -7.447 44.734 29.028 1.00 73.23 O ATOM 1063 CB PHE A 164 -6.419 45.113 25.960 1.00 61.31 C ATOM 1064 CG PHE A 164 -6.663 45.251 24.455 1.00 42.00 C ATOM 1065 CD1 PHE A 164 -6.970 46.483 23.878 1.00 12.21 C ATOM 1066 CD2 PHE A 164 -6.588 44.136 23.620 1.00 72.12 C ATOM 1067 CE1 PHE A 164 -7.190 46.594 22.520 1.00 30.52 C ATOM 1068 CE2 PHE A 164 -6.809 44.248 22.260 1.00 14.02 C ATOM 1069 CZ PHE A 164 -7.109 45.476 21.710 1.00 33.41 C ATOM 0 H PHE A 164 -8.829 45.694 26.448 1.00 20.30 H new ATOM 0 HA PHE A 164 -7.359 43.190 26.198 1.00 72.30 H new ATOM 0 HB2 PHE A 164 -6.482 46.100 26.418 1.00 61.31 H new ATOM 0 HB3 PHE A 164 -5.403 44.751 26.120 1.00 61.31 H new ATOM 0 HD1 PHE A 164 -7.036 47.362 24.502 1.00 12.21 H new ATOM 0 HD2 PHE A 164 -6.354 43.170 24.043 1.00 72.12 H new ATOM 0 HE1 PHE A 164 -7.426 47.556 22.089 1.00 30.52 H new ATOM 0 HE2 PHE A 164 -6.747 43.374 21.629 1.00 14.02 H new ATOM 0 HZ PHE A 164 -7.281 45.565 20.647 1.00 33.41 H new ATOM 1079 N ILE A 165 -6.147 42.958 28.398 1.00 41.43 N ATOM 1080 CA ILE A 165 -5.724 42.514 29.747 1.00 30.55 C ATOM 1081 C ILE A 165 -5.051 43.656 30.539 1.00 72.14 C ATOM 1082 O ILE A 165 -4.006 44.163 30.115 1.00 3.32 O ATOM 1083 CB ILE A 165 -4.695 41.317 29.656 1.00 53.23 C ATOM 1084 CG1 ILE A 165 -5.257 40.136 28.805 1.00 34.21 C ATOM 1085 CG2 ILE A 165 -4.266 40.826 31.071 1.00 33.20 C ATOM 1086 CD1 ILE A 165 -4.272 38.995 28.589 1.00 10.41 C ATOM 0 H ILE A 165 -5.720 42.413 27.648 1.00 41.43 H new ATOM 0 HA ILE A 165 -6.630 42.195 30.262 1.00 30.55 H new ATOM 0 HB ILE A 165 -3.808 41.697 29.149 1.00 53.23 H new ATOM 0 HG12 ILE A 165 -6.148 39.743 29.294 1.00 34.21 H new ATOM 0 HG13 ILE A 165 -5.569 40.520 27.834 1.00 34.21 H new ATOM 0 HG21 ILE A 165 -3.559 40.003 30.971 1.00 33.20 H new ATOM 0 HG22 ILE A 165 -3.795 41.646 31.613 1.00 33.20 H new ATOM 0 HG23 ILE A 165 -5.144 40.485 31.620 1.00 33.20 H new ATOM 0 HD11 ILE A 165 -4.743 38.217 27.988 1.00 10.41 H new ATOM 0 HD12 ILE A 165 -3.389 39.370 28.070 1.00 10.41 H new ATOM 0 HD13 ILE A 165 -3.978 38.581 29.553 1.00 10.41 H new ATOM 1098 N HIS A 166 -5.644 44.052 31.682 1.00 1.10 N ATOM 1099 CA HIS A 166 -4.982 44.968 32.625 1.00 1.21 C ATOM 1100 C HIS A 166 -3.910 44.208 33.419 1.00 43.31 C ATOM 1101 O HIS A 166 -4.188 43.570 34.442 1.00 34.50 O ATOM 1102 CB HIS A 166 -6.003 45.663 33.569 1.00 24.32 C ATOM 1103 CG HIS A 166 -6.876 46.679 32.887 1.00 11.34 C ATOM 1104 ND1 HIS A 166 -7.849 47.405 33.526 1.00 43.40 N ATOM 1105 CD2 HIS A 166 -6.836 47.148 31.618 1.00 75.11 C ATOM 1106 CE1 HIS A 166 -8.348 48.278 32.655 1.00 63.52 C ATOM 1107 NE2 HIS A 166 -7.760 48.164 31.468 1.00 14.20 N ATOM 0 H HIS A 166 -6.575 43.753 31.972 1.00 1.10 H new ATOM 0 HA HIS A 166 -4.499 45.760 32.053 1.00 1.21 H new ATOM 0 HB2 HIS A 166 -6.637 44.902 34.024 1.00 24.32 H new ATOM 0 HB3 HIS A 166 -5.460 46.151 34.378 1.00 24.32 H new ATOM 0 HD2 HIS A 166 -6.181 46.783 30.841 1.00 75.11 H new ATOM 0 HE1 HIS A 166 -9.130 48.988 32.883 1.00 63.52 H new ATOM 0 HE2 HIS A 166 -7.950 48.709 30.627 1.00 14.20 H new ATOM 1115 N LYS A 167 -2.693 44.254 32.879 1.00 52.01 N ATOM 1116 CA LYS A 167 -1.491 43.696 33.486 1.00 63.40 C ATOM 1117 C LYS A 167 -0.766 44.821 34.236 1.00 54.32 C ATOM 1118 O LYS A 167 -0.467 45.866 33.636 1.00 62.40 O ATOM 1119 CB LYS A 167 -0.591 43.103 32.368 1.00 10.41 C ATOM 1120 CG LYS A 167 0.646 42.320 32.857 1.00 24.25 C ATOM 1121 CD LYS A 167 0.275 41.021 33.613 1.00 53.24 C ATOM 1122 CE LYS A 167 1.513 40.233 34.072 1.00 21.44 C ATOM 1123 NZ LYS A 167 2.357 41.006 35.014 1.00 3.23 N ATOM 0 H LYS A 167 -2.513 44.696 31.977 1.00 52.01 H new ATOM 0 HA LYS A 167 -1.738 42.900 34.188 1.00 63.40 H new ATOM 0 HB2 LYS A 167 -1.198 42.441 31.750 1.00 10.41 H new ATOM 0 HB3 LYS A 167 -0.254 43.917 31.727 1.00 10.41 H new ATOM 0 HG2 LYS A 167 1.273 42.070 32.001 1.00 24.25 H new ATOM 0 HG3 LYS A 167 1.239 42.959 33.511 1.00 24.25 H new ATOM 0 HD2 LYS A 167 -0.335 41.271 34.481 1.00 53.24 H new ATOM 0 HD3 LYS A 167 -0.335 40.390 32.967 1.00 53.24 H new ATOM 0 HE2 LYS A 167 1.194 39.307 34.550 1.00 21.44 H new ATOM 0 HE3 LYS A 167 2.107 39.954 33.201 1.00 21.44 H new ATOM 0 HZ1 LYS A 167 3.112 40.395 35.386 1.00 3.23 H new ATOM 0 HZ2 LYS A 167 2.781 41.815 34.517 1.00 3.23 H new ATOM 0 HZ3 LYS A 167 1.772 41.351 35.801 1.00 3.23 H new