USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=21 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 91:sc= 1.63 USER MOD Set 1.2: A 156 CYS SG : rot 144:sc= 0.603 USER MOD Set 1.3: A 162 CYS SG : rot -145:sc= 1.54 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.293 K(o=4.1,f=-10!) USER MOD Set 2.1: A 104 CYS SG : rot 106:sc= 0.683 USER MOD Set 2.2: A 113 CYS SG : rot 120:sc= 1.51 USER MOD Set 2.3: A 119 CYS SG : rot 112:sc= 1.5 USER MOD Set 2.4: A 123 HIS : no HD1:sc= -0.533 K(o=3.2,f=-12!) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= 0.81 (180deg=0.484) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -130:sc= -0.792 (180deg=-2.11!) USER MOD Single : A 110 SER OG : rot -35:sc= 0.412 USER MOD Single : A 111 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.8!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0.033 K(o=0.033,f=-0.55) USER MOD Single : A 149 LYS NZ :NH3+ 166:sc= -0.0167 (180deg=-0.223) USER MOD Single : A 151 SER OG : rot 84:sc= 0.491 USER MOD Single : A 152 MET CE :methyl -137:sc= -0.253 (180deg=-1.34) USER MOD Single : A 153 THR OG1 : rot -54:sc= 0.701 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 :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 167 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0163) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.965 8.542 11.336 1.00 41.01 N ATOM 37 CA PHE A 99 0.483 7.698 10.225 1.00 72.24 C ATOM 38 C PHE A 99 0.402 8.501 8.913 1.00 33.13 C ATOM 39 O PHE A 99 -0.087 9.637 8.900 1.00 2.32 O ATOM 40 CB PHE A 99 -0.923 7.094 10.547 1.00 51.32 C ATOM 41 CG PHE A 99 -0.903 5.763 11.295 1.00 1.31 C ATOM 42 CD1 PHE A 99 -0.782 4.564 10.592 1.00 42.50 C ATOM 43 CD2 PHE A 99 -1.017 5.703 12.681 1.00 25.32 C ATOM 44 CE1 PHE A 99 -0.772 3.353 11.250 1.00 12.10 C ATOM 45 CE2 PHE A 99 -1.006 4.490 13.341 1.00 15.23 C ATOM 46 CZ PHE A 99 -0.884 3.314 12.623 1.00 12.05 C ATOM 0 HA PHE A 99 1.201 6.887 10.102 1.00 72.24 H new ATOM 0 HB2 PHE A 99 -1.484 7.817 11.139 1.00 51.32 H new ATOM 0 HB3 PHE A 99 -1.465 6.959 9.611 1.00 51.32 H new ATOM 0 HD1 PHE A 99 -0.695 4.585 9.516 1.00 42.50 H new ATOM 0 HD2 PHE A 99 -1.115 6.617 13.248 1.00 25.32 H new ATOM 0 HE1 PHE A 99 -0.676 2.435 10.690 1.00 12.10 H new ATOM 0 HE2 PHE A 99 -1.093 4.460 14.417 1.00 15.23 H new ATOM 0 HZ PHE A 99 -0.877 2.365 13.139 1.00 12.05 H new ATOM 56 N LYS A 100 0.885 7.849 7.836 1.00 72.32 N ATOM 57 CA LYS A 100 0.712 8.228 6.412 1.00 52.11 C ATOM 58 C LYS A 100 0.836 9.735 6.104 1.00 13.32 C ATOM 59 O LYS A 100 -0.066 10.361 5.541 1.00 13.04 O ATOM 60 CB LYS A 100 -0.576 7.575 5.806 1.00 1.42 C ATOM 61 CG LYS A 100 -1.906 7.810 6.558 1.00 51.43 C ATOM 62 CD LYS A 100 -3.071 6.959 6.000 1.00 24.00 C ATOM 63 CE LYS A 100 -2.800 5.448 6.103 1.00 12.23 C ATOM 64 NZ LYS A 100 -3.923 4.631 5.586 1.00 24.14 N ATOM 0 H LYS A 100 1.437 6.997 7.938 1.00 72.32 H new ATOM 0 HA LYS A 100 1.576 7.808 5.897 1.00 52.11 H new ATOM 0 HB2 LYS A 100 -0.694 7.943 4.787 1.00 1.42 H new ATOM 0 HB3 LYS A 100 -0.411 6.500 5.739 1.00 1.42 H new ATOM 0 HG2 LYS A 100 -1.766 7.578 7.614 1.00 51.43 H new ATOM 0 HG3 LYS A 100 -2.171 8.865 6.496 1.00 51.43 H new ATOM 0 HD2 LYS A 100 -3.985 7.199 6.544 1.00 24.00 H new ATOM 0 HD3 LYS A 100 -3.243 7.224 4.957 1.00 24.00 H new ATOM 0 HE2 LYS A 100 -1.894 5.206 5.547 1.00 12.23 H new ATOM 0 HE3 LYS A 100 -2.614 5.186 7.145 1.00 12.23 H new ATOM 0 HZ1 LYS A 100 -3.554 3.737 5.203 1.00 24.14 H new ATOM 0 HZ2 LYS A 100 -4.589 4.428 6.358 1.00 24.14 H new ATOM 0 HZ3 LYS A 100 -4.415 5.154 4.833 1.00 24.14 H new ATOM 78 N THR A 101 1.978 10.303 6.504 1.00 25.34 N ATOM 79 CA THR A 101 2.448 11.609 6.008 1.00 64.53 C ATOM 80 C THR A 101 3.185 11.421 4.658 1.00 10.31 C ATOM 81 O THR A 101 3.420 12.388 3.921 1.00 43.33 O ATOM 82 CB THR A 101 3.392 12.299 7.052 1.00 61.25 C ATOM 83 OG1 THR A 101 4.483 11.422 7.382 1.00 72.20 O ATOM 84 CG2 THR A 101 2.642 12.685 8.343 1.00 24.33 C ATOM 0 H THR A 101 2.607 9.873 7.182 1.00 25.34 H new ATOM 0 HA THR A 101 1.583 12.255 5.858 1.00 64.53 H new ATOM 0 HB THR A 101 3.769 13.213 6.594 1.00 61.25 H new ATOM 0 HG1 THR A 101 5.070 11.860 8.033 1.00 72.20 H new ATOM 0 HG21 THR A 101 3.335 13.160 9.038 1.00 24.33 H new ATOM 0 HG22 THR A 101 1.837 13.379 8.102 1.00 24.33 H new ATOM 0 HG23 THR A 101 2.224 11.789 8.803 1.00 24.33 H new ATOM 92 N ALA A 102 3.523 10.150 4.346 1.00 32.20 N ATOM 93 CA ALA A 102 4.214 9.749 3.107 1.00 65.42 C ATOM 94 C ALA A 102 3.424 8.639 2.393 1.00 44.43 C ATOM 95 O ALA A 102 2.618 7.938 3.021 1.00 11.41 O ATOM 96 CB ALA A 102 5.640 9.277 3.423 1.00 62.32 C ATOM 0 H ALA A 102 3.318 9.363 4.961 1.00 32.20 H new ATOM 0 HA ALA A 102 4.275 10.612 2.444 1.00 65.42 H new ATOM 0 HB1 ALA A 102 6.139 8.984 2.499 1.00 62.32 H new ATOM 0 HB2 ALA A 102 6.196 10.088 3.894 1.00 62.32 H new ATOM 0 HB3 ALA A 102 5.599 8.424 4.100 1.00 62.32 H new ATOM 102 N LEU A 103 3.669 8.501 1.078 1.00 15.13 N ATOM 103 CA LEU A 103 3.025 7.487 0.224 1.00 14.00 C ATOM 104 C LEU A 103 3.612 6.078 0.453 1.00 51.03 C ATOM 105 O LEU A 103 4.735 5.918 0.941 1.00 50.24 O ATOM 106 CB LEU A 103 3.141 7.891 -1.275 1.00 73.22 C ATOM 107 CG LEU A 103 2.337 9.165 -1.698 1.00 4.34 C ATOM 108 CD1 LEU A 103 2.627 9.557 -3.166 1.00 11.52 C ATOM 109 CD2 LEU A 103 0.816 8.967 -1.463 1.00 73.35 C ATOM 0 H LEU A 103 4.326 9.096 0.573 1.00 15.13 H new ATOM 0 HA LEU A 103 1.972 7.446 0.502 1.00 14.00 H new ATOM 0 HB2 LEU A 103 4.193 8.054 -1.508 1.00 73.22 H new ATOM 0 HB3 LEU A 103 2.805 7.053 -1.885 1.00 73.22 H new ATOM 0 HG LEU A 103 2.671 9.989 -1.067 1.00 4.34 H new ATOM 0 HD11 LEU A 103 2.052 10.446 -3.426 1.00 11.52 H new ATOM 0 HD12 LEU A 103 3.690 9.766 -3.284 1.00 11.52 H new ATOM 0 HD13 LEU A 103 2.343 8.736 -3.825 1.00 11.52 H new ATOM 0 HD21 LEU A 103 0.281 9.867 -1.765 1.00 73.35 H new ATOM 0 HD22 LEU A 103 0.464 8.120 -2.052 1.00 73.35 H new ATOM 0 HD23 LEU A 103 0.633 8.774 -0.406 1.00 73.35 H new ATOM 121 N CYS A 104 2.813 5.074 0.078 1.00 71.20 N ATOM 122 CA CYS A 104 3.108 3.649 0.272 1.00 64.35 C ATOM 123 C CYS A 104 3.876 3.100 -0.928 1.00 10.33 C ATOM 124 O CYS A 104 3.355 3.095 -2.045 1.00 61.13 O ATOM 125 CB CYS A 104 1.770 2.906 0.458 1.00 45.04 C ATOM 126 SG CYS A 104 1.854 1.093 0.592 1.00 11.33 S ATOM 0 H CYS A 104 1.917 5.234 -0.382 1.00 71.20 H new ATOM 0 HA CYS A 104 3.733 3.506 1.153 1.00 64.35 H new ATOM 0 HB2 CYS A 104 1.289 3.292 1.357 1.00 45.04 H new ATOM 0 HB3 CYS A 104 1.122 3.155 -0.383 1.00 45.04 H new ATOM 0 HG CYS A 104 1.648 0.739 1.826 1.00 11.33 H new ATOM 131 N ASP A 105 5.117 2.647 -0.689 1.00 42.12 N ATOM 132 CA ASP A 105 5.999 2.130 -1.748 1.00 52.23 C ATOM 133 C ASP A 105 5.471 0.796 -2.295 1.00 44.33 C ATOM 134 O ASP A 105 5.583 0.528 -3.484 1.00 1.23 O ATOM 135 CB ASP A 105 7.452 1.980 -1.234 1.00 34.52 C ATOM 136 CG ASP A 105 8.457 1.733 -2.375 1.00 43.11 C ATOM 137 OD1 ASP A 105 8.654 2.654 -3.198 1.00 4.31 O ATOM 138 OD2 ASP A 105 9.057 0.640 -2.450 1.00 2.25 O ATOM 0 H ASP A 105 5.536 2.629 0.241 1.00 42.12 H new ATOM 0 HA ASP A 105 6.005 2.852 -2.565 1.00 52.23 H new ATOM 0 HB2 ASP A 105 7.737 2.881 -0.691 1.00 34.52 H new ATOM 0 HB3 ASP A 105 7.500 1.153 -0.526 1.00 34.52 H new ATOM 143 N ALA A 106 4.869 -0.014 -1.401 1.00 32.34 N ATOM 144 CA ALA A 106 4.226 -1.300 -1.766 1.00 11.32 C ATOM 145 C ALA A 106 3.060 -1.084 -2.758 1.00 42.23 C ATOM 146 O ALA A 106 2.791 -1.931 -3.616 1.00 34.43 O ATOM 147 CB ALA A 106 3.736 -2.027 -0.501 1.00 71.15 C ATOM 0 H ALA A 106 4.813 0.201 -0.406 1.00 32.34 H new ATOM 0 HA ALA A 106 4.970 -1.922 -2.263 1.00 11.32 H new ATOM 0 HB1 ALA A 106 3.266 -2.969 -0.782 1.00 71.15 H new ATOM 0 HB2 ALA A 106 4.583 -2.226 0.156 1.00 71.15 H new ATOM 0 HB3 ALA A 106 3.011 -1.402 0.021 1.00 71.15 H new ATOM 153 N TYR A 107 2.380 0.064 -2.615 1.00 21.45 N ATOM 154 CA TYR A 107 1.302 0.497 -3.521 1.00 61.25 C ATOM 155 C TYR A 107 1.888 0.984 -4.862 1.00 21.40 C ATOM 156 O TYR A 107 1.375 0.652 -5.929 1.00 55.11 O ATOM 157 CB TYR A 107 0.471 1.615 -2.826 1.00 15.42 C ATOM 158 CG TYR A 107 -0.576 2.318 -3.711 1.00 53.54 C ATOM 159 CD1 TYR A 107 -1.741 1.663 -4.115 1.00 63.01 C ATOM 160 CD2 TYR A 107 -0.396 3.638 -4.140 1.00 12.33 C ATOM 161 CE1 TYR A 107 -2.678 2.292 -4.910 1.00 30.31 C ATOM 162 CE2 TYR A 107 -1.335 4.268 -4.933 1.00 0.45 C ATOM 163 CZ TYR A 107 -2.471 3.592 -5.316 1.00 10.15 C ATOM 164 OH TYR A 107 -3.404 4.218 -6.117 1.00 10.32 O ATOM 0 H TYR A 107 2.564 0.725 -1.860 1.00 21.45 H new ATOM 0 HA TYR A 107 0.645 -0.345 -3.739 1.00 61.25 H new ATOM 0 HB2 TYR A 107 -0.040 1.181 -1.966 1.00 15.42 H new ATOM 0 HB3 TYR A 107 1.159 2.368 -2.442 1.00 15.42 H new ATOM 0 HD1 TYR A 107 -1.912 0.644 -3.799 1.00 63.01 H new ATOM 0 HD2 TYR A 107 0.494 4.174 -3.845 1.00 12.33 H new ATOM 0 HE1 TYR A 107 -3.571 1.766 -5.213 1.00 30.31 H new ATOM 0 HE2 TYR A 107 -1.178 5.288 -5.252 1.00 0.45 H new ATOM 0 HH TYR A 107 -3.107 5.131 -6.312 1.00 10.32 H new ATOM 174 N LYS A 108 2.974 1.772 -4.788 1.00 4.14 N ATOM 175 CA LYS A 108 3.597 2.399 -5.976 1.00 13.24 C ATOM 176 C LYS A 108 4.372 1.371 -6.833 1.00 51.32 C ATOM 177 O LYS A 108 4.573 1.587 -8.035 1.00 21.25 O ATOM 178 CB LYS A 108 4.525 3.566 -5.539 1.00 12.01 C ATOM 179 CG LYS A 108 3.801 4.702 -4.782 1.00 63.41 C ATOM 180 CD LYS A 108 4.706 5.904 -4.393 1.00 31.32 C ATOM 181 CE LYS A 108 5.825 5.570 -3.375 1.00 3.22 C ATOM 182 NZ LYS A 108 6.985 4.854 -3.981 1.00 11.33 N ATOM 0 H LYS A 108 3.445 1.994 -3.911 1.00 4.14 H new ATOM 0 HA LYS A 108 2.797 2.797 -6.601 1.00 13.24 H new ATOM 0 HB2 LYS A 108 5.316 3.168 -4.904 1.00 12.01 H new ATOM 0 HB3 LYS A 108 5.006 3.983 -6.423 1.00 12.01 H new ATOM 0 HG2 LYS A 108 2.981 5.067 -5.401 1.00 63.41 H new ATOM 0 HG3 LYS A 108 3.357 4.291 -3.875 1.00 63.41 H new ATOM 0 HD2 LYS A 108 5.164 6.304 -5.298 1.00 31.32 H new ATOM 0 HD3 LYS A 108 4.080 6.693 -3.977 1.00 31.32 H new ATOM 0 HE2 LYS A 108 6.177 6.495 -2.918 1.00 3.22 H new ATOM 0 HE3 LYS A 108 5.407 4.958 -2.576 1.00 3.22 H new ATOM 0 HZ1 LYS A 108 7.208 4.012 -3.413 1.00 11.33 H new ATOM 0 HZ2 LYS A 108 6.746 4.564 -4.951 1.00 11.33 H new ATOM 0 HZ3 LYS A 108 7.811 5.486 -4.002 1.00 11.33 H new ATOM 196 N ARG A 109 4.819 0.268 -6.205 1.00 3.23 N ATOM 197 CA ARG A 109 5.560 -0.808 -6.890 1.00 64.42 C ATOM 198 C ARG A 109 4.633 -1.936 -7.376 1.00 32.24 C ATOM 199 O ARG A 109 4.683 -2.326 -8.547 1.00 61.22 O ATOM 200 CB ARG A 109 6.668 -1.379 -5.955 1.00 35.40 C ATOM 201 CG ARG A 109 7.843 -0.413 -5.638 1.00 52.12 C ATOM 202 CD ARG A 109 8.682 -0.027 -6.879 1.00 44.41 C ATOM 203 NE ARG A 109 7.976 0.906 -7.784 1.00 53.22 N ATOM 204 CZ ARG A 109 8.148 0.997 -9.110 1.00 62.22 C ATOM 205 NH1 ARG A 109 9.010 0.209 -9.750 1.00 33.21 N ATOM 206 NH2 ARG A 109 7.443 1.882 -9.793 1.00 32.35 N ATOM 0 H ARG A 109 4.677 0.097 -5.209 1.00 3.23 H new ATOM 0 HA ARG A 109 6.025 -0.371 -7.774 1.00 64.42 H new ATOM 0 HB2 ARG A 109 6.205 -1.680 -5.015 1.00 35.40 H new ATOM 0 HB3 ARG A 109 7.076 -2.280 -6.413 1.00 35.40 H new ATOM 0 HG2 ARG A 109 7.444 0.494 -5.184 1.00 52.12 H new ATOM 0 HG3 ARG A 109 8.496 -0.879 -4.900 1.00 52.12 H new ATOM 0 HD2 ARG A 109 9.616 0.429 -6.552 1.00 44.41 H new ATOM 0 HD3 ARG A 109 8.944 -0.931 -7.429 1.00 44.41 H new ATOM 0 HE ARG A 109 7.296 1.538 -7.360 1.00 53.22 H new ATOM 0 HH11 ARG A 109 9.554 -0.480 -9.230 1.00 33.21 H new ATOM 0 HH12 ARG A 109 9.126 0.294 -10.760 1.00 33.21 H new ATOM 0 HH21 ARG A 109 6.777 2.486 -9.310 1.00 32.35 H new ATOM 0 HH22 ARG A 109 7.565 1.961 -10.803 1.00 32.35 H new ATOM 220 N SER A 110 3.785 -2.453 -6.469 1.00 3.31 N ATOM 221 CA SER A 110 3.043 -3.720 -6.691 1.00 61.22 C ATOM 222 C SER A 110 1.515 -3.510 -6.815 1.00 0.45 C ATOM 223 O SER A 110 0.775 -4.499 -6.932 1.00 53.34 O ATOM 224 CB SER A 110 3.383 -4.707 -5.539 1.00 74.52 C ATOM 225 OG SER A 110 2.881 -6.016 -5.786 1.00 65.30 O ATOM 0 H SER A 110 3.592 -2.014 -5.569 1.00 3.31 H new ATOM 0 HA SER A 110 3.360 -4.137 -7.647 1.00 61.22 H new ATOM 0 HB2 SER A 110 4.464 -4.753 -5.410 1.00 74.52 H new ATOM 0 HB3 SER A 110 2.966 -4.330 -4.605 1.00 74.52 H new ATOM 0 HG SER A 110 2.025 -5.954 -6.260 1.00 65.30 H new ATOM 231 N GLN A 111 1.061 -2.230 -6.818 1.00 72.15 N ATOM 232 CA GLN A 111 -0.380 -1.848 -6.843 1.00 43.45 C ATOM 233 C GLN A 111 -1.102 -2.297 -5.555 1.00 74.34 C ATOM 234 O GLN A 111 -1.315 -1.491 -4.637 1.00 14.31 O ATOM 235 CB GLN A 111 -1.125 -2.368 -8.124 1.00 0.54 C ATOM 236 CG GLN A 111 -0.763 -1.649 -9.443 1.00 55.00 C ATOM 237 CD GLN A 111 -1.379 -0.247 -9.585 1.00 72.33 C ATOM 238 OE1 GLN A 111 -1.631 0.460 -8.605 1.00 70.22 O ATOM 239 NE2 GLN A 111 -1.628 0.169 -10.817 1.00 53.53 N ATOM 0 H GLN A 111 1.688 -1.426 -6.803 1.00 72.15 H new ATOM 0 HA GLN A 111 -0.410 -0.759 -6.887 1.00 43.45 H new ATOM 0 HB2 GLN A 111 -0.913 -3.431 -8.240 1.00 0.54 H new ATOM 0 HB3 GLN A 111 -2.199 -2.273 -7.962 1.00 0.54 H new ATOM 0 HG2 GLN A 111 0.322 -1.566 -9.513 1.00 55.00 H new ATOM 0 HG3 GLN A 111 -1.090 -2.264 -10.281 1.00 55.00 H new ATOM 0 HE21 GLN A 111 -1.411 -0.432 -11.612 1.00 53.53 H new ATOM 0 HE22 GLN A 111 -2.036 1.091 -10.971 1.00 53.53 H new ATOM 248 N ALA A 112 -1.457 -3.595 -5.498 1.00 13.33 N ATOM 249 CA ALA A 112 -2.175 -4.189 -4.366 1.00 51.23 C ATOM 250 C ALA A 112 -1.254 -4.302 -3.141 1.00 42.14 C ATOM 251 O ALA A 112 -0.445 -5.225 -3.041 1.00 4.21 O ATOM 252 CB ALA A 112 -2.748 -5.559 -4.765 1.00 44.24 C ATOM 0 H ALA A 112 -1.250 -4.260 -6.243 1.00 13.33 H new ATOM 0 HA ALA A 112 -3.007 -3.539 -4.094 1.00 51.23 H new ATOM 0 HB1 ALA A 112 -3.279 -5.992 -3.917 1.00 44.24 H new ATOM 0 HB2 ALA A 112 -3.437 -5.436 -5.601 1.00 44.24 H new ATOM 0 HB3 ALA A 112 -1.934 -6.222 -5.060 1.00 44.24 H new ATOM 258 N CYS A 113 -1.342 -3.298 -2.262 1.00 43.22 N ATOM 259 CA CYS A 113 -0.639 -3.271 -0.977 1.00 72.40 C ATOM 260 C CYS A 113 -1.398 -4.158 0.034 1.00 4.25 C ATOM 261 O CYS A 113 -2.607 -3.978 0.228 1.00 5.34 O ATOM 262 CB CYS A 113 -0.544 -1.809 -0.512 1.00 44.31 C ATOM 263 SG CYS A 113 0.090 -1.549 1.174 1.00 72.23 S ATOM 0 H CYS A 113 -1.913 -2.469 -2.427 1.00 43.22 H new ATOM 0 HA CYS A 113 0.372 -3.669 -1.066 1.00 72.40 H new ATOM 0 HB2 CYS A 113 0.097 -1.268 -1.208 1.00 44.31 H new ATOM 0 HB3 CYS A 113 -1.536 -1.362 -0.579 1.00 44.31 H new ATOM 0 HG CYS A 113 1.164 -0.819 1.126 1.00 72.23 H new ATOM 268 N SER A 114 -0.664 -5.087 0.676 1.00 73.24 N ATOM 269 CA SER A 114 -1.223 -6.239 1.430 1.00 24.30 C ATOM 270 C SER A 114 -2.203 -5.842 2.563 1.00 61.05 C ATOM 271 O SER A 114 -3.207 -6.532 2.793 1.00 71.15 O ATOM 272 CB SER A 114 -0.054 -7.074 2.001 1.00 20.24 C ATOM 273 OG SER A 114 0.874 -7.416 0.978 1.00 22.14 O ATOM 0 H SER A 114 0.356 -5.062 0.689 1.00 73.24 H new ATOM 0 HA SER A 114 -1.817 -6.822 0.726 1.00 24.30 H new ATOM 0 HB2 SER A 114 0.453 -6.509 2.783 1.00 20.24 H new ATOM 0 HB3 SER A 114 -0.442 -7.982 2.463 1.00 20.24 H new ATOM 0 HG SER A 114 1.606 -7.942 1.363 1.00 22.14 H new ATOM 279 N TYR A 115 -1.903 -4.740 3.264 1.00 15.03 N ATOM 280 CA TYR A 115 -2.730 -4.249 4.390 1.00 43.04 C ATOM 281 C TYR A 115 -3.967 -3.459 3.900 1.00 54.34 C ATOM 282 O TYR A 115 -5.003 -3.444 4.583 1.00 10.30 O ATOM 283 CB TYR A 115 -1.868 -3.381 5.342 1.00 15.40 C ATOM 284 CG TYR A 115 -0.967 -4.168 6.312 1.00 31.10 C ATOM 285 CD1 TYR A 115 0.170 -4.844 5.865 1.00 45.34 C ATOM 286 CD2 TYR A 115 -1.255 -4.222 7.682 1.00 54.13 C ATOM 287 CE1 TYR A 115 0.979 -5.543 6.740 1.00 33.32 C ATOM 288 CE2 TYR A 115 -0.448 -4.921 8.559 1.00 15.52 C ATOM 289 CZ TYR A 115 0.666 -5.578 8.084 1.00 32.35 C ATOM 290 OH TYR A 115 1.475 -6.275 8.957 1.00 22.23 O ATOM 0 H TYR A 115 -1.085 -4.161 3.073 1.00 15.03 H new ATOM 0 HA TYR A 115 -3.100 -5.118 4.934 1.00 43.04 H new ATOM 0 HB2 TYR A 115 -1.240 -2.724 4.740 1.00 15.40 H new ATOM 0 HB3 TYR A 115 -2.531 -2.742 5.925 1.00 15.40 H new ATOM 0 HD1 TYR A 115 0.422 -4.820 4.815 1.00 45.34 H new ATOM 0 HD2 TYR A 115 -2.126 -3.707 8.060 1.00 54.13 H new ATOM 0 HE1 TYR A 115 1.853 -6.060 6.374 1.00 33.32 H new ATOM 0 HE2 TYR A 115 -0.689 -4.952 9.611 1.00 15.52 H new ATOM 0 HH TYR A 115 1.117 -6.200 9.866 1.00 22.23 H new ATOM 300 N GLY A 116 -3.840 -2.806 2.726 1.00 22.42 N ATOM 301 CA GLY A 116 -4.935 -2.028 2.130 1.00 52.14 C ATOM 302 C GLY A 116 -5.315 -0.801 2.959 1.00 73.45 C ATOM 303 O GLY A 116 -4.595 0.201 2.959 1.00 24.05 O ATOM 0 H GLY A 116 -2.983 -2.805 2.173 1.00 22.42 H new ATOM 0 HA2 GLY A 116 -4.644 -1.708 1.130 1.00 52.14 H new ATOM 0 HA3 GLY A 116 -5.810 -2.669 2.017 1.00 52.14 H new ATOM 307 N ASP A 117 -6.436 -0.897 3.694 1.00 62.42 N ATOM 308 CA ASP A 117 -6.935 0.194 4.557 1.00 15.35 C ATOM 309 C ASP A 117 -6.093 0.300 5.840 1.00 0.45 C ATOM 310 O ASP A 117 -5.906 1.393 6.380 1.00 3.11 O ATOM 311 CB ASP A 117 -8.427 -0.025 4.917 1.00 13.24 C ATOM 312 CG ASP A 117 -9.350 -0.003 3.692 1.00 44.01 C ATOM 313 OD1 ASP A 117 -9.624 -1.081 3.120 1.00 74.12 O ATOM 314 OD2 ASP A 117 -9.803 1.093 3.286 1.00 31.14 O ATOM 0 H ASP A 117 -7.023 -1.731 3.709 1.00 62.42 H new ATOM 0 HA ASP A 117 -6.846 1.128 4.002 1.00 15.35 H new ATOM 0 HB2 ASP A 117 -8.535 -0.981 5.429 1.00 13.24 H new ATOM 0 HB3 ASP A 117 -8.743 0.748 5.617 1.00 13.24 H new ATOM 319 N GLN A 118 -5.572 -0.854 6.302 1.00 71.41 N ATOM 320 CA GLN A 118 -4.744 -0.946 7.526 1.00 24.42 C ATOM 321 C GLN A 118 -3.258 -0.633 7.236 1.00 71.42 C ATOM 322 O GLN A 118 -2.407 -0.808 8.115 1.00 52.33 O ATOM 323 CB GLN A 118 -4.890 -2.362 8.149 1.00 33.14 C ATOM 324 CG GLN A 118 -6.320 -2.703 8.607 1.00 61.33 C ATOM 325 CD GLN A 118 -6.460 -4.132 9.138 1.00 34.15 C ATOM 326 OE1 GLN A 118 -6.749 -5.059 8.383 1.00 14.04 O ATOM 327 NE2 GLN A 118 -6.253 -4.319 10.431 1.00 34.44 N ATOM 0 H GLN A 118 -5.712 -1.751 5.838 1.00 71.41 H new ATOM 0 HA GLN A 118 -5.100 -0.198 8.235 1.00 24.42 H new ATOM 0 HB2 GLN A 118 -4.567 -3.104 7.418 1.00 33.14 H new ATOM 0 HB3 GLN A 118 -4.218 -2.443 9.003 1.00 33.14 H new ATOM 0 HG2 GLN A 118 -6.622 -2.002 9.385 1.00 61.33 H new ATOM 0 HG3 GLN A 118 -7.005 -2.565 7.770 1.00 61.33 H new ATOM 0 HE21 GLN A 118 -6.015 -3.528 11.029 1.00 34.44 H new ATOM 0 HE22 GLN A 118 -6.332 -5.254 10.830 1.00 34.44 H new ATOM 336 N CYS A 119 -2.955 -0.185 6.000 1.00 2.41 N ATOM 337 CA CYS A 119 -1.593 0.199 5.598 1.00 14.33 C ATOM 338 C CYS A 119 -1.171 1.480 6.324 1.00 24.12 C ATOM 339 O CYS A 119 -1.927 2.453 6.354 1.00 5.53 O ATOM 340 CB CYS A 119 -1.518 0.390 4.073 1.00 0.15 C ATOM 341 SG CYS A 119 0.126 0.865 3.439 1.00 64.21 S ATOM 0 H CYS A 119 -3.647 -0.081 5.258 1.00 2.41 H new ATOM 0 HA CYS A 119 -0.906 -0.600 5.877 1.00 14.33 H new ATOM 0 HB2 CYS A 119 -1.824 -0.538 3.590 1.00 0.15 H new ATOM 0 HB3 CYS A 119 -2.239 1.154 3.781 1.00 0.15 H new ATOM 0 HG CYS A 119 0.619 -0.112 2.737 1.00 64.21 H new ATOM 346 N ARG A 120 0.026 1.443 6.923 1.00 34.33 N ATOM 347 CA ARG A 120 0.594 2.566 7.690 1.00 30.20 C ATOM 348 C ARG A 120 0.869 3.796 6.800 1.00 10.34 C ATOM 349 O ARG A 120 0.762 4.930 7.266 1.00 10.34 O ATOM 350 CB ARG A 120 1.888 2.109 8.418 1.00 24.53 C ATOM 351 CG ARG A 120 2.966 1.503 7.495 1.00 54.34 C ATOM 352 CD ARG A 120 4.253 1.119 8.239 1.00 63.23 C ATOM 353 NE ARG A 120 5.248 0.519 7.332 1.00 21.30 N ATOM 354 CZ ARG A 120 6.519 0.228 7.649 1.00 33.42 C ATOM 355 NH1 ARG A 120 7.002 0.480 8.865 1.00 12.03 N ATOM 356 NH2 ARG A 120 7.306 -0.321 6.741 1.00 54.54 N ATOM 0 H ARG A 120 0.636 0.626 6.890 1.00 34.33 H new ATOM 0 HA ARG A 120 -0.144 2.871 8.432 1.00 30.20 H new ATOM 0 HB2 ARG A 120 2.316 2.964 8.941 1.00 24.53 H new ATOM 0 HB3 ARG A 120 1.622 1.372 9.176 1.00 24.53 H new ATOM 0 HG2 ARG A 120 2.560 0.618 7.005 1.00 54.34 H new ATOM 0 HG3 ARG A 120 3.208 2.220 6.710 1.00 54.34 H new ATOM 0 HD2 ARG A 120 4.678 2.004 8.711 1.00 63.23 H new ATOM 0 HD3 ARG A 120 4.016 0.415 9.037 1.00 63.23 H new ATOM 0 HE ARG A 120 4.944 0.307 6.382 1.00 21.30 H new ATOM 0 HH11 ARG A 120 6.403 0.902 9.575 1.00 12.03 H new ATOM 0 HH12 ARG A 120 7.971 0.251 9.086 1.00 12.03 H new ATOM 0 HH21 ARG A 120 6.946 -0.520 5.808 1.00 54.54 H new ATOM 0 HH22 ARG A 120 8.273 -0.545 6.973 1.00 54.54 H new ATOM 370 N PHE A 121 1.223 3.555 5.522 1.00 2.00 N ATOM 371 CA PHE A 121 1.504 4.621 4.535 1.00 63.35 C ATOM 372 C PHE A 121 0.301 4.824 3.582 1.00 52.50 C ATOM 373 O PHE A 121 -0.541 3.935 3.423 1.00 13.34 O ATOM 374 CB PHE A 121 2.793 4.306 3.739 1.00 72.05 C ATOM 375 CG PHE A 121 4.093 4.475 4.526 1.00 41.44 C ATOM 376 CD1 PHE A 121 4.809 3.373 4.997 1.00 42.12 C ATOM 377 CD2 PHE A 121 4.600 5.748 4.789 1.00 55.05 C ATOM 378 CE1 PHE A 121 5.986 3.540 5.703 1.00 20.25 C ATOM 379 CE2 PHE A 121 5.775 5.912 5.495 1.00 73.04 C ATOM 380 CZ PHE A 121 6.469 4.809 5.953 1.00 40.14 C ATOM 0 H PHE A 121 1.323 2.614 5.142 1.00 2.00 H new ATOM 0 HA PHE A 121 1.661 5.552 5.079 1.00 63.35 H new ATOM 0 HB2 PHE A 121 2.736 3.280 3.375 1.00 72.05 H new ATOM 0 HB3 PHE A 121 2.829 4.953 2.863 1.00 72.05 H new ATOM 0 HD1 PHE A 121 4.438 2.376 4.807 1.00 42.12 H new ATOM 0 HD2 PHE A 121 4.066 6.617 4.435 1.00 55.05 H new ATOM 0 HE1 PHE A 121 6.528 2.677 6.059 1.00 20.25 H new ATOM 0 HE2 PHE A 121 6.152 6.905 5.690 1.00 73.04 H new ATOM 0 HZ PHE A 121 7.388 4.939 6.506 1.00 40.14 H new ATOM 390 N ALA A 122 0.263 6.011 2.949 1.00 55.33 N ATOM 391 CA ALA A 122 -0.891 6.497 2.166 1.00 32.02 C ATOM 392 C ALA A 122 -0.947 5.885 0.758 1.00 41.42 C ATOM 393 O ALA A 122 0.071 5.786 0.074 1.00 11.00 O ATOM 394 CB ALA A 122 -0.820 8.027 2.063 1.00 2.35 C ATOM 0 H ALA A 122 1.042 6.669 2.966 1.00 55.33 H new ATOM 0 HA ALA A 122 -1.798 6.188 2.686 1.00 32.02 H new ATOM 0 HB1 ALA A 122 -1.669 8.393 1.486 1.00 2.35 H new ATOM 0 HB2 ALA A 122 -0.847 8.461 3.063 1.00 2.35 H new ATOM 0 HB3 ALA A 122 0.107 8.316 1.567 1.00 2.35 H new ATOM 400 N HIS A 123 -2.158 5.504 0.323 1.00 23.23 N ATOM 401 CA HIS A 123 -2.413 5.006 -1.048 1.00 41.04 C ATOM 402 C HIS A 123 -3.056 6.115 -1.899 1.00 2.40 C ATOM 403 O HIS A 123 -3.776 5.831 -2.864 1.00 31.43 O ATOM 404 CB HIS A 123 -3.343 3.758 -0.994 1.00 60.04 C ATOM 405 CG HIS A 123 -2.776 2.572 -0.265 1.00 41.13 C ATOM 406 ND1 HIS A 123 -3.477 1.422 -0.025 1.00 53.24 N ATOM 407 CD2 HIS A 123 -1.548 2.370 0.261 1.00 75.32 C ATOM 408 CE1 HIS A 123 -2.678 0.579 0.615 1.00 4.44 C ATOM 409 NE2 HIS A 123 -1.480 1.103 0.815 1.00 61.04 N ATOM 0 H HIS A 123 -2.993 5.531 0.909 1.00 23.23 H new ATOM 0 HA HIS A 123 -1.466 4.719 -1.506 1.00 41.04 H new ATOM 0 HB2 HIS A 123 -4.281 4.043 -0.518 1.00 60.04 H new ATOM 0 HB3 HIS A 123 -3.582 3.458 -2.014 1.00 60.04 H new ATOM 0 HD2 HIS A 123 -0.741 3.088 0.251 1.00 75.32 H new ATOM 0 HE1 HIS A 123 -2.969 -0.411 0.933 1.00 4.44 H new ATOM 0 HE2 HIS A 123 -0.681 0.669 1.276 1.00 61.04 H new ATOM 417 N GLY A 124 -2.755 7.378 -1.557 1.00 53.20 N ATOM 418 CA GLY A 124 -3.326 8.523 -2.252 1.00 34.45 C ATOM 419 C GLY A 124 -2.979 9.845 -1.590 1.00 75.41 C ATOM 420 O GLY A 124 -2.586 9.880 -0.415 1.00 30.23 O ATOM 0 H GLY A 124 -2.117 7.623 -0.800 1.00 53.20 H new ATOM 0 HA2 GLY A 124 -2.969 8.533 -3.282 1.00 34.45 H new ATOM 0 HA3 GLY A 124 -4.410 8.415 -2.292 1.00 34.45 H new ATOM 424 N VAL A 125 -3.153 10.933 -2.361 1.00 60.23 N ATOM 425 CA VAL A 125 -2.928 12.320 -1.907 1.00 12.15 C ATOM 426 C VAL A 125 -3.912 12.707 -0.768 1.00 52.11 C ATOM 427 O VAL A 125 -3.594 13.534 0.094 1.00 24.34 O ATOM 428 CB VAL A 125 -3.052 13.317 -3.128 1.00 63.21 C ATOM 429 CG1 VAL A 125 -4.463 13.267 -3.770 1.00 22.03 C ATOM 430 CG2 VAL A 125 -2.653 14.765 -2.743 1.00 55.21 C ATOM 0 H VAL A 125 -3.459 10.874 -3.332 1.00 60.23 H new ATOM 0 HA VAL A 125 -1.919 12.390 -1.502 1.00 12.15 H new ATOM 0 HB VAL A 125 -2.339 12.980 -3.881 1.00 63.21 H new ATOM 0 HG11 VAL A 125 -4.508 13.966 -4.605 1.00 22.03 H new ATOM 0 HG12 VAL A 125 -4.663 12.258 -4.130 1.00 22.03 H new ATOM 0 HG13 VAL A 125 -5.211 13.542 -3.026 1.00 22.03 H new ATOM 0 HG21 VAL A 125 -2.754 15.414 -3.613 1.00 55.21 H new ATOM 0 HG22 VAL A 125 -3.305 15.122 -1.946 1.00 55.21 H new ATOM 0 HG23 VAL A 125 -1.619 14.778 -2.399 1.00 55.21 H new ATOM 440 N HIS A 126 -5.086 12.049 -0.770 1.00 5.02 N ATOM 441 CA HIS A 126 -6.171 12.280 0.204 1.00 30.12 C ATOM 442 C HIS A 126 -5.789 11.761 1.604 1.00 41.12 C ATOM 443 O HIS A 126 -6.182 12.343 2.622 1.00 21.05 O ATOM 444 CB HIS A 126 -7.465 11.585 -0.288 1.00 72.11 C ATOM 445 CG HIS A 126 -7.836 11.937 -1.706 1.00 71.13 C ATOM 446 ND1 HIS A 126 -7.381 11.187 -2.763 1.00 62.33 N ATOM 447 CD2 HIS A 126 -8.585 12.963 -2.186 1.00 40.32 C ATOM 448 CE1 HIS A 126 -7.858 11.763 -3.850 1.00 24.14 C ATOM 449 NE2 HIS A 126 -8.590 12.841 -3.550 1.00 32.43 N ATOM 0 H HIS A 126 -5.312 11.331 -1.458 1.00 5.02 H new ATOM 0 HA HIS A 126 -6.339 13.354 0.283 1.00 30.12 H new ATOM 0 HB2 HIS A 126 -7.339 10.505 -0.211 1.00 72.11 H new ATOM 0 HB3 HIS A 126 -8.288 11.858 0.373 1.00 72.11 H new ATOM 0 HD2 HIS A 126 -9.080 13.727 -1.605 1.00 40.32 H new ATOM 0 HE1 HIS A 126 -7.680 11.409 -4.855 1.00 24.14 H new ATOM 0 HE2 HIS A 126 -9.063 13.456 -4.212 1.00 32.43 H new ATOM 457 N GLU A 127 -5.012 10.662 1.637 1.00 15.33 N ATOM 458 CA GLU A 127 -4.581 10.016 2.894 1.00 15.22 C ATOM 459 C GLU A 127 -3.294 10.655 3.462 1.00 13.23 C ATOM 460 O GLU A 127 -2.821 10.237 4.519 1.00 63.41 O ATOM 461 CB GLU A 127 -4.367 8.493 2.681 1.00 44.33 C ATOM 462 CG GLU A 127 -5.620 7.700 2.266 1.00 33.45 C ATOM 463 CD GLU A 127 -5.413 6.176 2.365 1.00 42.02 C ATOM 464 OE1 GLU A 127 -5.643 5.605 3.454 1.00 13.11 O ATOM 465 OE2 GLU A 127 -4.993 5.549 1.374 1.00 41.04 O ATOM 0 H GLU A 127 -4.666 10.197 0.797 1.00 15.33 H new ATOM 0 HA GLU A 127 -5.378 10.169 3.622 1.00 15.22 H new ATOM 0 HB2 GLU A 127 -3.601 8.355 1.918 1.00 44.33 H new ATOM 0 HB3 GLU A 127 -3.977 8.066 3.605 1.00 44.33 H new ATOM 0 HG2 GLU A 127 -6.457 7.992 2.900 1.00 33.45 H new ATOM 0 HG3 GLU A 127 -5.889 7.961 1.243 1.00 33.45 H new ATOM 472 N LEU A 128 -2.732 11.656 2.758 1.00 52.33 N ATOM 473 CA LEU A 128 -1.508 12.352 3.198 1.00 50.32 C ATOM 474 C LEU A 128 -1.816 13.386 4.287 1.00 21.33 C ATOM 475 O LEU A 128 -2.528 14.365 4.043 1.00 21.25 O ATOM 476 CB LEU A 128 -0.797 13.035 2.000 1.00 63.32 C ATOM 477 CG LEU A 128 -0.143 12.077 0.964 1.00 62.25 C ATOM 478 CD1 LEU A 128 0.465 12.856 -0.220 1.00 71.33 C ATOM 479 CD2 LEU A 128 0.913 11.178 1.638 1.00 20.44 C ATOM 0 H LEU A 128 -3.110 12.003 1.876 1.00 52.33 H new ATOM 0 HA LEU A 128 -0.839 11.601 3.619 1.00 50.32 H new ATOM 0 HB2 LEU A 128 -1.523 13.661 1.480 1.00 63.32 H new ATOM 0 HB3 LEU A 128 -0.025 13.699 2.390 1.00 63.32 H new ATOM 0 HG LEU A 128 -0.928 11.435 0.564 1.00 62.25 H new ATOM 0 HD11 LEU A 128 0.913 12.156 -0.925 1.00 71.33 H new ATOM 0 HD12 LEU A 128 -0.318 13.424 -0.722 1.00 71.33 H new ATOM 0 HD13 LEU A 128 1.230 13.539 0.149 1.00 71.33 H new ATOM 0 HD21 LEU A 128 1.356 10.517 0.894 1.00 20.44 H new ATOM 0 HD22 LEU A 128 1.691 11.800 2.081 1.00 20.44 H new ATOM 0 HD23 LEU A 128 0.439 10.581 2.417 1.00 20.44 H new ATOM 491 N ARG A 129 -1.281 13.141 5.491 1.00 34.41 N ATOM 492 CA ARG A 129 -1.305 14.107 6.600 1.00 4.33 C ATOM 493 C ARG A 129 -0.096 15.040 6.463 1.00 63.41 C ATOM 494 O ARG A 129 0.969 14.625 5.988 1.00 5.22 O ATOM 495 CB ARG A 129 -1.275 13.402 7.993 1.00 24.12 C ATOM 496 CG ARG A 129 -2.564 12.633 8.380 1.00 63.52 C ATOM 497 CD ARG A 129 -2.800 11.373 7.537 1.00 31.23 C ATOM 498 NE ARG A 129 -4.049 10.682 7.896 1.00 42.33 N ATOM 499 CZ ARG A 129 -4.153 9.688 8.790 1.00 64.43 C ATOM 500 NH1 ARG A 129 -3.085 9.244 9.441 1.00 20.44 N ATOM 501 NH2 ARG A 129 -5.329 9.136 9.020 1.00 73.01 N ATOM 0 H ARG A 129 -0.817 12.263 5.725 1.00 34.41 H new ATOM 0 HA ARG A 129 -2.236 14.671 6.545 1.00 4.33 H new ATOM 0 HB2 ARG A 129 -0.438 12.704 8.010 1.00 24.12 H new ATOM 0 HB3 ARG A 129 -1.078 14.154 8.757 1.00 24.12 H new ATOM 0 HG2 ARG A 129 -2.508 12.352 9.432 1.00 63.52 H new ATOM 0 HG3 ARG A 129 -3.421 13.298 8.273 1.00 63.52 H new ATOM 0 HD2 ARG A 129 -2.829 11.646 6.482 1.00 31.23 H new ATOM 0 HD3 ARG A 129 -1.960 10.690 7.667 1.00 31.23 H new ATOM 0 HE ARG A 129 -4.903 10.983 7.427 1.00 42.33 H new ATOM 0 HH11 ARG A 129 -2.170 9.660 9.264 1.00 20.44 H new ATOM 0 HH12 ARG A 129 -3.179 8.487 10.118 1.00 20.44 H new ATOM 0 HH21 ARG A 129 -6.154 9.466 8.519 1.00 73.01 H new ATOM 0 HH22 ARG A 129 -5.413 8.380 9.699 1.00 73.01 H new ATOM 772 N VAL A 145 -11.024 33.638 20.244 1.00 44.53 N ATOM 773 CA VAL A 145 -12.398 33.279 19.873 1.00 74.13 C ATOM 774 C VAL A 145 -13.158 34.554 19.466 1.00 74.34 C ATOM 775 O VAL A 145 -13.055 35.586 20.146 1.00 34.25 O ATOM 776 CB VAL A 145 -13.128 32.566 21.077 1.00 31.20 C ATOM 777 CG1 VAL A 145 -14.600 32.217 20.739 1.00 72.01 C ATOM 778 CG2 VAL A 145 -12.342 31.308 21.531 1.00 21.42 C ATOM 0 HA VAL A 145 -12.375 32.585 19.033 1.00 74.13 H new ATOM 0 HB VAL A 145 -13.152 33.271 21.908 1.00 31.20 H new ATOM 0 HG11 VAL A 145 -15.064 31.728 21.596 1.00 72.01 H new ATOM 0 HG12 VAL A 145 -15.146 33.131 20.503 1.00 72.01 H new ATOM 0 HG13 VAL A 145 -14.627 31.547 19.880 1.00 72.01 H new ATOM 0 HG21 VAL A 145 -12.864 30.833 22.362 1.00 21.42 H new ATOM 0 HG22 VAL A 145 -12.268 30.606 20.700 1.00 21.42 H new ATOM 0 HG23 VAL A 145 -11.341 31.600 21.850 1.00 21.42 H new ATOM 788 N LEU A 146 -13.895 34.475 18.345 1.00 23.45 N ATOM 789 CA LEU A 146 -14.753 35.572 17.856 1.00 4.22 C ATOM 790 C LEU A 146 -16.021 35.675 18.734 1.00 32.22 C ATOM 791 O LEU A 146 -16.462 34.674 19.310 1.00 62.53 O ATOM 792 CB LEU A 146 -15.128 35.328 16.365 1.00 53.41 C ATOM 793 CG LEU A 146 -13.928 35.141 15.374 1.00 21.23 C ATOM 794 CD1 LEU A 146 -14.415 34.860 13.935 1.00 14.31 C ATOM 795 CD2 LEU A 146 -12.964 36.348 15.406 1.00 1.22 C ATOM 0 H LEU A 146 -13.914 33.647 17.750 1.00 23.45 H new ATOM 0 HA LEU A 146 -14.210 36.515 17.922 1.00 4.22 H new ATOM 0 HB2 LEU A 146 -15.759 34.441 16.311 1.00 53.41 H new ATOM 0 HB3 LEU A 146 -15.730 36.169 16.020 1.00 53.41 H new ATOM 0 HG LEU A 146 -13.372 34.267 15.713 1.00 21.23 H new ATOM 0 HD11 LEU A 146 -13.555 34.736 13.277 1.00 14.31 H new ATOM 0 HD12 LEU A 146 -15.014 33.949 13.925 1.00 14.31 H new ATOM 0 HD13 LEU A 146 -15.021 35.696 13.586 1.00 14.31 H new ATOM 0 HD21 LEU A 146 -12.146 36.179 14.705 1.00 1.22 H new ATOM 0 HD22 LEU A 146 -13.503 37.252 15.123 1.00 1.22 H new ATOM 0 HD23 LEU A 146 -12.561 36.466 16.412 1.00 1.22 H new ATOM 807 N CYS A 147 -16.598 36.883 18.821 1.00 54.24 N ATOM 808 CA CYS A 147 -17.744 37.171 19.702 1.00 71.30 C ATOM 809 C CYS A 147 -19.037 36.588 19.097 1.00 4.32 C ATOM 810 O CYS A 147 -19.493 37.045 18.039 1.00 62.33 O ATOM 811 CB CYS A 147 -17.850 38.702 19.901 1.00 74.34 C ATOM 812 SG CYS A 147 -18.991 39.275 21.212 1.00 1.55 S ATOM 0 H CYS A 147 -16.284 37.690 18.282 1.00 54.24 H new ATOM 0 HA CYS A 147 -17.598 36.701 20.675 1.00 71.30 H new ATOM 0 HB2 CYS A 147 -16.855 39.088 20.122 1.00 74.34 H new ATOM 0 HB3 CYS A 147 -18.163 39.148 18.957 1.00 74.34 H new ATOM 0 HG CYS A 147 -18.341 39.396 22.331 1.00 1.55 H new ATOM 817 N ASP A 148 -19.610 35.581 19.790 1.00 74.54 N ATOM 818 CA ASP A 148 -20.819 34.858 19.346 1.00 13.13 C ATOM 819 C ASP A 148 -22.020 35.804 19.271 1.00 24.10 C ATOM 820 O ASP A 148 -22.692 35.866 18.246 1.00 61.11 O ATOM 821 CB ASP A 148 -21.142 33.664 20.294 1.00 43.30 C ATOM 822 CG ASP A 148 -20.209 32.454 20.102 1.00 53.11 C ATOM 823 OD1 ASP A 148 -20.518 31.581 19.264 1.00 43.10 O ATOM 824 OD2 ASP A 148 -19.165 32.364 20.781 1.00 64.13 O ATOM 0 H ASP A 148 -19.243 35.245 20.680 1.00 74.54 H new ATOM 0 HA ASP A 148 -20.618 34.463 18.350 1.00 13.13 H new ATOM 0 HB2 ASP A 148 -21.075 34.003 21.328 1.00 43.30 H new ATOM 0 HB3 ASP A 148 -22.172 33.348 20.128 1.00 43.30 H new ATOM 829 N LYS A 149 -22.253 36.551 20.367 1.00 11.03 N ATOM 830 CA LYS A 149 -23.395 37.490 20.503 1.00 31.41 C ATOM 831 C LYS A 149 -23.424 38.509 19.356 1.00 5.44 C ATOM 832 O LYS A 149 -24.464 38.738 18.736 1.00 24.22 O ATOM 833 CB LYS A 149 -23.305 38.232 21.862 1.00 63.15 C ATOM 834 CG LYS A 149 -23.359 37.315 23.099 1.00 3.15 C ATOM 835 CD LYS A 149 -24.718 36.590 23.253 1.00 43.11 C ATOM 836 CE LYS A 149 -24.787 35.756 24.541 1.00 62.02 C ATOM 837 NZ LYS A 149 -24.610 36.592 25.762 1.00 72.35 N ATOM 0 H LYS A 149 -21.653 36.523 21.191 1.00 11.03 H new ATOM 0 HA LYS A 149 -24.316 36.909 20.461 1.00 31.41 H new ATOM 0 HB2 LYS A 149 -22.376 38.802 21.889 1.00 63.15 H new ATOM 0 HB3 LYS A 149 -24.122 38.951 21.923 1.00 63.15 H new ATOM 0 HG2 LYS A 149 -22.563 36.573 23.030 1.00 3.15 H new ATOM 0 HG3 LYS A 149 -23.166 37.908 23.993 1.00 3.15 H new ATOM 0 HD2 LYS A 149 -25.522 37.326 23.255 1.00 43.11 H new ATOM 0 HD3 LYS A 149 -24.881 35.941 22.393 1.00 43.11 H new ATOM 0 HE2 LYS A 149 -25.748 35.244 24.589 1.00 62.02 H new ATOM 0 HE3 LYS A 149 -24.016 34.986 24.515 1.00 62.02 H new ATOM 0 HZ1 LYS A 149 -24.895 36.047 26.600 1.00 72.35 H new ATOM 0 HZ2 LYS A 149 -23.611 36.868 25.852 1.00 72.35 H new ATOM 0 HZ3 LYS A 149 -25.200 37.445 25.687 1.00 72.35 H new ATOM 851 N PHE A 150 -22.245 39.060 19.058 1.00 60.11 N ATOM 852 CA PHE A 150 -22.067 40.103 18.039 1.00 65.01 C ATOM 853 C PHE A 150 -22.347 39.552 16.618 1.00 13.01 C ATOM 854 O PHE A 150 -22.733 40.299 15.716 1.00 44.24 O ATOM 855 CB PHE A 150 -20.630 40.676 18.161 1.00 63.23 C ATOM 856 CG PHE A 150 -20.387 41.949 17.358 1.00 53.43 C ATOM 857 CD1 PHE A 150 -19.689 41.924 16.152 1.00 52.12 C ATOM 858 CD2 PHE A 150 -20.872 43.175 17.813 1.00 1.13 C ATOM 859 CE1 PHE A 150 -19.484 43.080 15.433 1.00 4.54 C ATOM 860 CE2 PHE A 150 -20.665 44.329 17.090 1.00 33.52 C ATOM 861 CZ PHE A 150 -19.970 44.283 15.900 1.00 53.04 C ATOM 0 H PHE A 150 -21.376 38.793 19.521 1.00 60.11 H new ATOM 0 HA PHE A 150 -22.786 40.905 18.206 1.00 65.01 H new ATOM 0 HB2 PHE A 150 -20.421 40.879 19.211 1.00 63.23 H new ATOM 0 HB3 PHE A 150 -19.920 39.915 17.836 1.00 63.23 H new ATOM 0 HD1 PHE A 150 -19.304 40.987 15.777 1.00 52.12 H new ATOM 0 HD2 PHE A 150 -21.417 43.220 18.744 1.00 1.13 H new ATOM 0 HE1 PHE A 150 -18.941 43.045 14.500 1.00 4.54 H new ATOM 0 HE2 PHE A 150 -21.047 45.271 17.455 1.00 33.52 H new ATOM 0 HZ PHE A 150 -19.806 45.188 15.334 1.00 53.04 H new ATOM 871 N SER A 151 -22.128 38.240 16.435 1.00 70.42 N ATOM 872 CA SER A 151 -22.367 37.546 15.154 1.00 2.02 C ATOM 873 C SER A 151 -23.819 37.016 15.029 1.00 3.14 C ATOM 874 O SER A 151 -24.341 36.896 13.914 1.00 43.53 O ATOM 875 CB SER A 151 -21.351 36.397 15.010 1.00 53.15 C ATOM 876 OG SER A 151 -20.026 36.890 15.102 1.00 31.03 O ATOM 0 H SER A 151 -21.779 37.627 17.172 1.00 70.42 H new ATOM 0 HA SER A 151 -22.233 38.265 14.346 1.00 2.02 H new ATOM 0 HB2 SER A 151 -21.523 35.653 15.787 1.00 53.15 H new ATOM 0 HB3 SER A 151 -21.493 35.896 14.052 1.00 53.15 H new ATOM 0 HG SER A 151 -19.772 36.972 16.045 1.00 31.03 H new ATOM 882 N MET A 152 -24.465 36.699 16.175 1.00 24.31 N ATOM 883 CA MET A 152 -25.808 36.061 16.201 1.00 73.14 C ATOM 884 C MET A 152 -26.932 37.113 16.140 1.00 0.12 C ATOM 885 O MET A 152 -27.817 37.038 15.280 1.00 40.14 O ATOM 886 CB MET A 152 -25.980 35.154 17.459 1.00 41.22 C ATOM 887 CG MET A 152 -25.089 33.899 17.473 1.00 60.35 C ATOM 888 SD MET A 152 -25.403 32.809 18.885 1.00 3.31 S ATOM 889 CE MET A 152 -25.033 33.865 20.287 1.00 11.31 C ATOM 0 H MET A 152 -24.077 36.875 17.102 1.00 24.31 H new ATOM 0 HA MET A 152 -25.883 35.433 15.314 1.00 73.14 H new ATOM 0 HB2 MET A 152 -25.765 35.746 18.349 1.00 41.22 H new ATOM 0 HB3 MET A 152 -27.023 34.844 17.527 1.00 41.22 H new ATOM 0 HG2 MET A 152 -25.247 33.340 16.550 1.00 60.35 H new ATOM 0 HG3 MET A 152 -24.043 34.205 17.486 1.00 60.35 H new ATOM 0 HE1 MET A 152 -24.459 33.303 21.024 1.00 11.31 H new ATOM 0 HE2 MET A 152 -24.452 34.724 19.952 1.00 11.31 H new ATOM 0 HE3 MET A 152 -25.963 34.210 20.738 1.00 11.31 H new ATOM 899 N THR A 153 -26.868 38.105 17.038 1.00 11.23 N ATOM 900 CA THR A 153 -27.897 39.160 17.156 1.00 74.32 C ATOM 901 C THR A 153 -27.478 40.405 16.352 1.00 75.21 C ATOM 902 O THR A 153 -28.328 41.127 15.813 1.00 45.24 O ATOM 903 CB THR A 153 -28.107 39.556 18.654 1.00 13.33 C ATOM 904 OG1 THR A 153 -26.872 40.046 19.204 1.00 22.42 O ATOM 905 CG2 THR A 153 -28.601 38.369 19.501 1.00 50.34 C ATOM 0 H THR A 153 -26.103 38.203 17.706 1.00 11.23 H new ATOM 0 HA THR A 153 -28.833 38.769 16.756 1.00 74.32 H new ATOM 0 HB THR A 153 -28.871 40.333 18.683 1.00 13.33 H new ATOM 0 HG1 THR A 153 -26.163 39.385 19.057 1.00 22.42 H new ATOM 0 HG21 THR A 153 -28.733 38.689 20.534 1.00 50.34 H new ATOM 0 HG22 THR A 153 -29.553 38.012 19.107 1.00 50.34 H new ATOM 0 HG23 THR A 153 -27.867 37.564 19.462 1.00 50.34 H new ATOM 913 N GLY A 154 -26.153 40.632 16.282 1.00 13.33 N ATOM 914 CA GLY A 154 -25.576 41.780 15.580 1.00 25.23 C ATOM 915 C GLY A 154 -24.842 42.718 16.524 1.00 33.32 C ATOM 916 O GLY A 154 -23.985 43.497 16.089 1.00 32.22 O ATOM 0 H GLY A 154 -25.458 40.022 16.712 1.00 13.33 H new ATOM 0 HA2 GLY A 154 -24.887 41.426 14.813 1.00 25.23 H new ATOM 0 HA3 GLY A 154 -26.368 42.327 15.069 1.00 25.23 H new ATOM 920 N ASN A 155 -25.173 42.638 17.829 1.00 44.04 N ATOM 921 CA ASN A 155 -24.602 43.515 18.872 1.00 33.33 C ATOM 922 C ASN A 155 -24.129 42.676 20.070 1.00 52.11 C ATOM 923 O ASN A 155 -24.674 41.603 20.347 1.00 5.34 O ATOM 924 CB ASN A 155 -25.648 44.560 19.356 1.00 71.22 C ATOM 925 CG ASN A 155 -26.131 45.509 18.255 1.00 22.24 C ATOM 926 OD1 ASN A 155 -27.116 45.237 17.571 1.00 51.20 O ATOM 927 ND2 ASN A 155 -25.442 46.626 18.072 1.00 44.03 N ATOM 0 H ASN A 155 -25.846 41.962 18.190 1.00 44.04 H new ATOM 0 HA ASN A 155 -23.753 44.043 18.438 1.00 33.33 H new ATOM 0 HB2 ASN A 155 -26.507 44.034 19.772 1.00 71.22 H new ATOM 0 HB3 ASN A 155 -25.213 45.148 20.164 1.00 71.22 H new ATOM 0 HD21 ASN A 155 -25.725 47.287 17.348 1.00 44.03 H new ATOM 0 HD22 ASN A 155 -24.629 46.825 18.655 1.00 44.03 H new ATOM 934 N CYS A 156 -23.106 43.185 20.766 1.00 50.15 N ATOM 935 CA CYS A 156 -22.609 42.624 22.031 1.00 12.31 C ATOM 936 C CYS A 156 -22.777 43.689 23.127 1.00 51.31 C ATOM 937 O CYS A 156 -22.182 44.773 23.035 1.00 53.30 O ATOM 938 CB CYS A 156 -21.123 42.226 21.865 1.00 14.34 C ATOM 939 SG CYS A 156 -20.293 41.636 23.377 1.00 21.25 S ATOM 0 H CYS A 156 -22.591 44.011 20.463 1.00 50.15 H new ATOM 0 HA CYS A 156 -23.169 41.732 22.309 1.00 12.31 H new ATOM 0 HB2 CYS A 156 -21.057 41.445 21.107 1.00 14.34 H new ATOM 0 HB3 CYS A 156 -20.575 43.088 21.484 1.00 14.34 H new ATOM 0 HG CYS A 156 -19.448 40.697 23.070 1.00 21.25 H new ATOM 944 N LYS A 157 -23.566 43.370 24.173 1.00 61.41 N ATOM 945 CA LYS A 157 -23.951 44.345 25.223 1.00 43.54 C ATOM 946 C LYS A 157 -22.794 44.624 26.201 1.00 54.34 C ATOM 947 O LYS A 157 -22.781 45.654 26.886 1.00 22.52 O ATOM 948 CB LYS A 157 -25.207 43.853 25.987 1.00 25.44 C ATOM 949 CG LYS A 157 -25.008 42.569 26.822 1.00 0.33 C ATOM 950 CD LYS A 157 -26.311 42.072 27.488 1.00 10.31 C ATOM 951 CE LYS A 157 -26.939 43.116 28.428 1.00 74.02 C ATOM 952 NZ LYS A 157 -28.219 42.646 29.010 1.00 54.13 N ATOM 0 H LYS A 157 -23.954 42.438 24.317 1.00 61.41 H new ATOM 0 HA LYS A 157 -24.188 45.285 24.725 1.00 43.54 H new ATOM 0 HB2 LYS A 157 -25.545 44.650 26.650 1.00 25.44 H new ATOM 0 HB3 LYS A 157 -26.006 43.678 25.266 1.00 25.44 H new ATOM 0 HG2 LYS A 157 -24.612 41.782 26.179 1.00 0.33 H new ATOM 0 HG3 LYS A 157 -24.261 42.756 27.593 1.00 0.33 H new ATOM 0 HD2 LYS A 157 -27.031 41.808 26.714 1.00 10.31 H new ATOM 0 HD3 LYS A 157 -26.101 41.163 28.051 1.00 10.31 H new ATOM 0 HE2 LYS A 157 -26.239 43.347 29.231 1.00 74.02 H new ATOM 0 HE3 LYS A 157 -27.110 44.042 27.878 1.00 74.02 H new ATOM 0 HZ1 LYS A 157 -28.606 43.381 29.636 1.00 54.13 H new ATOM 0 HZ2 LYS A 157 -28.897 42.450 28.246 1.00 54.13 H new ATOM 0 HZ3 LYS A 157 -28.053 41.777 29.557 1.00 54.13 H new ATOM 966 N TYR A 158 -21.835 43.689 26.254 1.00 31.44 N ATOM 967 CA TYR A 158 -20.618 43.816 27.072 1.00 15.42 C ATOM 968 C TYR A 158 -19.724 44.958 26.539 1.00 62.32 C ATOM 969 O TYR A 158 -19.144 45.718 27.324 1.00 22.12 O ATOM 970 CB TYR A 158 -19.845 42.472 27.077 1.00 24.23 C ATOM 971 CG TYR A 158 -20.508 41.331 27.874 1.00 41.34 C ATOM 972 CD1 TYR A 158 -21.760 40.816 27.518 1.00 11.23 C ATOM 973 CD2 TYR A 158 -19.875 40.770 28.987 1.00 34.21 C ATOM 974 CE1 TYR A 158 -22.351 39.796 28.244 1.00 62.21 C ATOM 975 CE2 TYR A 158 -20.461 39.751 29.710 1.00 5.51 C ATOM 976 CZ TYR A 158 -21.698 39.269 29.338 1.00 11.11 C ATOM 977 OH TYR A 158 -22.284 38.255 30.069 1.00 40.35 O ATOM 0 H TYR A 158 -21.881 42.817 25.727 1.00 31.44 H new ATOM 0 HA TYR A 158 -20.903 44.060 28.095 1.00 15.42 H new ATOM 0 HB2 TYR A 158 -19.714 42.144 26.046 1.00 24.23 H new ATOM 0 HB3 TYR A 158 -18.849 42.646 27.485 1.00 24.23 H new ATOM 0 HD1 TYR A 158 -22.275 41.222 26.660 1.00 11.23 H new ATOM 0 HD2 TYR A 158 -18.907 41.142 29.287 1.00 34.21 H new ATOM 0 HE1 TYR A 158 -23.319 39.415 27.955 1.00 62.21 H new ATOM 0 HE2 TYR A 158 -19.952 39.332 30.565 1.00 5.51 H new ATOM 0 HH TYR A 158 -21.691 37.998 30.806 1.00 40.35 H new ATOM 987 N GLY A 159 -19.646 45.069 25.196 1.00 53.34 N ATOM 988 CA GLY A 159 -18.841 46.098 24.530 1.00 13.20 C ATOM 989 C GLY A 159 -17.347 45.941 24.803 1.00 4.32 C ATOM 990 O GLY A 159 -16.744 44.952 24.384 1.00 1.21 O ATOM 0 H GLY A 159 -20.138 44.449 24.552 1.00 53.34 H new ATOM 0 HA2 GLY A 159 -19.017 46.053 23.455 1.00 13.20 H new ATOM 0 HA3 GLY A 159 -19.167 47.083 24.865 1.00 13.20 H new ATOM 994 N THR A 160 -16.765 46.899 25.542 1.00 34.34 N ATOM 995 CA THR A 160 -15.346 46.873 25.949 1.00 43.21 C ATOM 996 C THR A 160 -15.086 45.750 26.977 1.00 63.21 C ATOM 997 O THR A 160 -13.987 45.185 27.040 1.00 72.33 O ATOM 998 CB THR A 160 -14.931 48.251 26.561 1.00 34.34 C ATOM 999 OG1 THR A 160 -15.823 48.588 27.640 1.00 3.05 O ATOM 1000 CG2 THR A 160 -14.952 49.381 25.514 1.00 24.34 C ATOM 0 H THR A 160 -17.268 47.721 25.878 1.00 34.34 H new ATOM 0 HA THR A 160 -14.746 46.678 25.060 1.00 43.21 H new ATOM 0 HB THR A 160 -13.909 48.153 26.927 1.00 34.34 H new ATOM 0 HG1 THR A 160 -15.561 49.451 28.024 1.00 3.05 H new ATOM 0 HG21 THR A 160 -14.657 50.319 25.985 1.00 24.34 H new ATOM 0 HG22 THR A 160 -14.256 49.144 24.709 1.00 24.34 H new ATOM 0 HG23 THR A 160 -15.958 49.481 25.106 1.00 24.34 H new ATOM 1008 N ARG A 161 -16.132 45.435 27.764 1.00 31.32 N ATOM 1009 CA ARG A 161 -16.096 44.391 28.810 1.00 4.15 C ATOM 1010 C ARG A 161 -16.163 42.976 28.198 1.00 61.55 C ATOM 1011 O ARG A 161 -16.007 41.977 28.911 1.00 73.30 O ATOM 1012 CB ARG A 161 -17.261 44.628 29.809 1.00 13.31 C ATOM 1013 CG ARG A 161 -17.254 46.043 30.428 1.00 55.32 C ATOM 1014 CD ARG A 161 -18.445 46.327 31.356 1.00 2.35 C ATOM 1015 NE ARG A 161 -18.395 47.708 31.874 1.00 33.22 N ATOM 1016 CZ ARG A 161 -19.321 48.293 32.650 1.00 21.23 C ATOM 1017 NH1 ARG A 161 -20.414 47.639 33.030 1.00 74.33 N ATOM 1018 NH2 ARG A 161 -19.144 49.549 33.030 1.00 62.11 N ATOM 0 H ARG A 161 -17.036 45.902 27.692 1.00 31.32 H new ATOM 0 HA ARG A 161 -15.148 44.458 29.344 1.00 4.15 H new ATOM 0 HB2 ARG A 161 -18.209 44.468 29.296 1.00 13.31 H new ATOM 0 HB3 ARG A 161 -17.202 43.889 30.608 1.00 13.31 H new ATOM 0 HG2 ARG A 161 -16.329 46.178 30.989 1.00 55.32 H new ATOM 0 HG3 ARG A 161 -17.249 46.780 29.624 1.00 55.32 H new ATOM 0 HD2 ARG A 161 -19.378 46.172 30.814 1.00 2.35 H new ATOM 0 HD3 ARG A 161 -18.439 45.622 32.188 1.00 2.35 H new ATOM 0 HE ARG A 161 -17.582 48.269 31.619 1.00 33.22 H new ATOM 0 HH11 ARG A 161 -20.561 46.675 32.732 1.00 74.33 H new ATOM 0 HH12 ARG A 161 -21.106 48.101 33.620 1.00 74.33 H new ATOM 0 HH21 ARG A 161 -18.312 50.059 32.733 1.00 62.11 H new ATOM 0 HH22 ARG A 161 -19.839 50.006 33.620 1.00 62.11 H new ATOM 1032 N CYS A 162 -16.407 42.908 26.872 1.00 50.31 N ATOM 1033 CA CYS A 162 -16.337 41.662 26.101 1.00 70.01 C ATOM 1034 C CYS A 162 -14.865 41.321 25.841 1.00 33.41 C ATOM 1035 O CYS A 162 -14.113 42.151 25.317 1.00 51.21 O ATOM 1036 CB CYS A 162 -17.104 41.806 24.768 1.00 41.24 C ATOM 1037 SG CYS A 162 -17.225 40.283 23.772 1.00 53.54 S ATOM 0 H CYS A 162 -16.658 43.722 26.310 1.00 50.31 H new ATOM 0 HA CYS A 162 -16.802 40.856 26.668 1.00 70.01 H new ATOM 0 HB2 CYS A 162 -18.112 42.161 24.984 1.00 41.24 H new ATOM 0 HB3 CYS A 162 -16.617 42.575 24.169 1.00 41.24 H new ATOM 0 HG CYS A 162 -17.174 40.585 22.509 1.00 53.54 H new ATOM 1042 N GLN A 163 -14.468 40.114 26.248 1.00 24.24 N ATOM 1043 CA GLN A 163 -13.084 39.614 26.111 1.00 24.35 C ATOM 1044 C GLN A 163 -12.845 38.986 24.722 1.00 54.22 C ATOM 1045 O GLN A 163 -11.701 38.754 24.330 1.00 65.24 O ATOM 1046 CB GLN A 163 -12.807 38.588 27.237 1.00 41.34 C ATOM 1047 CG GLN A 163 -13.754 37.364 27.240 1.00 41.14 C ATOM 1048 CD GLN A 163 -13.599 36.447 28.458 1.00 61.41 C ATOM 1049 OE1 GLN A 163 -13.297 37.016 29.622 1.00 1.34 O flip ATOM 1050 NE2 GLN A 163 -13.786 35.234 28.361 1.00 1.02 N flip ATOM 0 H GLN A 163 -15.099 39.444 26.687 1.00 24.24 H new ATOM 0 HA GLN A 163 -12.393 40.452 26.203 1.00 24.35 H new ATOM 0 HB2 GLN A 163 -11.780 38.236 27.145 1.00 41.34 H new ATOM 0 HB3 GLN A 163 -12.886 39.094 28.199 1.00 41.34 H new ATOM 0 HG2 GLN A 163 -14.784 37.717 27.195 1.00 41.14 H new ATOM 0 HG3 GLN A 163 -13.577 36.781 26.336 1.00 41.14 H new ATOM 0 HE21 GLN A 163 -14.016 34.824 27.456 1.00 1.02 H new ATOM 0 HE22 GLN A 163 -13.711 34.639 29.186 1.00 1.02 H new ATOM 1059 N PHE A 164 -13.942 38.728 23.993 1.00 55.21 N ATOM 1060 CA PHE A 164 -13.917 38.068 22.677 1.00 3.32 C ATOM 1061 C PHE A 164 -13.754 39.098 21.546 1.00 41.31 C ATOM 1062 O PHE A 164 -14.200 40.250 21.675 1.00 53.32 O ATOM 1063 CB PHE A 164 -15.212 37.251 22.472 1.00 62.11 C ATOM 1064 CG PHE A 164 -15.457 36.198 23.552 1.00 53.35 C ATOM 1065 CD1 PHE A 164 -16.436 36.379 24.535 1.00 71.43 C ATOM 1066 CD2 PHE A 164 -14.705 35.024 23.582 1.00 63.11 C ATOM 1067 CE1 PHE A 164 -16.652 35.418 25.504 1.00 53.22 C ATOM 1068 CE2 PHE A 164 -14.921 34.067 24.553 1.00 14.42 C ATOM 1069 CZ PHE A 164 -15.895 34.262 25.512 1.00 30.25 C ATOM 0 H PHE A 164 -14.882 38.974 24.304 1.00 55.21 H new ATOM 0 HA PHE A 164 -13.060 37.395 22.647 1.00 3.32 H new ATOM 0 HB2 PHE A 164 -16.061 37.934 22.445 1.00 62.11 H new ATOM 0 HB3 PHE A 164 -15.169 36.758 21.501 1.00 62.11 H new ATOM 0 HD1 PHE A 164 -17.030 37.281 24.536 1.00 71.43 H new ATOM 0 HD2 PHE A 164 -13.943 34.861 22.835 1.00 63.11 H new ATOM 0 HE1 PHE A 164 -17.413 35.570 26.255 1.00 53.22 H new ATOM 0 HE2 PHE A 164 -14.328 33.165 24.563 1.00 14.42 H new ATOM 0 HZ PHE A 164 -16.065 33.511 26.269 1.00 30.25 H new ATOM 1079 N ILE A 165 -13.112 38.657 20.449 1.00 5.15 N ATOM 1080 CA ILE A 165 -12.843 39.485 19.257 1.00 2.34 C ATOM 1081 C ILE A 165 -14.164 39.945 18.606 1.00 14.41 C ATOM 1082 O ILE A 165 -14.909 39.110 18.075 1.00 23.15 O ATOM 1083 CB ILE A 165 -12.015 38.680 18.175 1.00 75.41 C ATOM 1084 CG1 ILE A 165 -10.766 37.980 18.801 1.00 55.42 C ATOM 1085 CG2 ILE A 165 -11.610 39.591 16.978 1.00 72.24 C ATOM 1086 CD1 ILE A 165 -10.021 37.049 17.851 1.00 70.13 C ATOM 0 H ILE A 165 -12.761 37.703 20.363 1.00 5.15 H new ATOM 0 HA ILE A 165 -12.267 40.348 19.590 1.00 2.34 H new ATOM 0 HB ILE A 165 -12.667 37.895 17.791 1.00 75.41 H new ATOM 0 HG12 ILE A 165 -10.076 38.746 19.155 1.00 55.42 H new ATOM 0 HG13 ILE A 165 -11.084 37.409 19.674 1.00 55.42 H new ATOM 0 HG21 ILE A 165 -11.043 39.008 16.253 1.00 72.24 H new ATOM 0 HG22 ILE A 165 -12.507 39.988 16.503 1.00 72.24 H new ATOM 0 HG23 ILE A 165 -10.996 40.416 17.340 1.00 72.24 H new ATOM 0 HD11 ILE A 165 -9.169 36.607 18.368 1.00 70.13 H new ATOM 0 HD12 ILE A 165 -10.692 36.258 17.515 1.00 70.13 H new ATOM 0 HD13 ILE A 165 -9.668 37.615 16.989 1.00 70.13 H new ATOM 1098 N HIS A 166 -14.471 41.254 18.663 1.00 31.42 N ATOM 1099 CA HIS A 166 -15.597 41.816 17.901 1.00 72.21 C ATOM 1100 C HIS A 166 -15.211 41.900 16.419 1.00 64.14 C ATOM 1101 O HIS A 166 -14.616 42.879 15.961 1.00 15.33 O ATOM 1102 CB HIS A 166 -16.043 43.198 18.462 1.00 40.23 C ATOM 1103 CG HIS A 166 -16.728 43.130 19.804 1.00 74.42 C ATOM 1104 ND1 HIS A 166 -17.142 44.231 20.514 1.00 13.11 N ATOM 1105 CD2 HIS A 166 -17.146 42.055 20.516 1.00 34.41 C ATOM 1106 CE1 HIS A 166 -17.789 43.804 21.599 1.00 54.03 C ATOM 1107 NE2 HIS A 166 -17.825 42.478 21.648 1.00 20.34 N ATOM 0 H HIS A 166 -13.959 41.935 19.224 1.00 31.42 H new ATOM 0 HA HIS A 166 -16.458 41.156 18.005 1.00 72.21 H new ATOM 0 HB2 HIS A 166 -15.168 43.843 18.546 1.00 40.23 H new ATOM 0 HB3 HIS A 166 -16.718 43.667 17.746 1.00 40.23 H new ATOM 0 HD2 HIS A 166 -16.976 41.024 20.243 1.00 34.41 H new ATOM 0 HE1 HIS A 166 -18.227 44.453 22.342 1.00 54.03 H new ATOM 0 HE2 HIS A 166 -18.259 41.896 22.364 1.00 20.34 H new ATOM 1115 N LYS A 167 -15.532 40.824 15.697 1.00 1.35 N ATOM 1116 CA LYS A 167 -15.316 40.707 14.258 1.00 12.14 C ATOM 1117 C LYS A 167 -16.548 41.300 13.570 1.00 4.33 C ATOM 1118 O LYS A 167 -17.661 40.819 13.816 1.00 22.11 O ATOM 1119 CB LYS A 167 -15.124 39.210 13.888 1.00 0.40 C ATOM 1120 CG LYS A 167 -14.623 38.945 12.451 1.00 31.15 C ATOM 1121 CD LYS A 167 -13.181 39.453 12.217 1.00 30.23 C ATOM 1122 CE LYS A 167 -12.658 39.124 10.806 1.00 64.25 C ATOM 1123 NZ LYS A 167 -13.438 39.812 9.745 1.00 3.20 N ATOM 0 H LYS A 167 -15.958 39.993 16.108 1.00 1.35 H new ATOM 0 HA LYS A 167 -14.422 41.241 13.937 1.00 12.14 H new ATOM 0 HB2 LYS A 167 -14.417 38.767 14.589 1.00 0.40 H new ATOM 0 HB3 LYS A 167 -16.074 38.694 14.025 1.00 0.40 H new ATOM 0 HG2 LYS A 167 -14.664 37.875 12.248 1.00 31.15 H new ATOM 0 HG3 LYS A 167 -15.294 39.430 11.742 1.00 31.15 H new ATOM 0 HD2 LYS A 167 -13.151 40.532 12.369 1.00 30.23 H new ATOM 0 HD3 LYS A 167 -12.518 39.008 12.959 1.00 30.23 H new ATOM 0 HE2 LYS A 167 -11.610 39.415 10.731 1.00 64.25 H new ATOM 0 HE3 LYS A 167 -12.701 38.047 10.646 1.00 64.25 H new ATOM 0 HZ1 LYS A 167 -13.020 39.603 8.816 1.00 3.20 H new ATOM 0 HZ2 LYS A 167 -14.422 39.477 9.765 1.00 3.20 H new ATOM 0 HZ3 LYS A 167 -13.418 40.839 9.910 1.00 3.20 H new