USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 147 CYS SG : rot 115:sc= 0.521 USER MOD Set 1.2: A 156 CYS SG : rot 88:sc= -1.15 USER MOD Set 1.3: A 162 CYS SG : rot -134:sc= 0.254 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.847 K(o=0.47,f=-16!) USER MOD Set 2.1: A 104 CYS SG : rot 105:sc= 2.28! USER MOD Set 2.2: A 113 CYS SG : rot 122:sc= 1.09 USER MOD Set 2.3: A 119 CYS SG : rot -161:sc= 1.48 USER MOD Set 2.4: A 123 HIS : no HE2:sc= -0.393 K(o=4.5,f=-1.6) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0.115 (180deg=0.114) USER MOD Single : A 101 THR OG1 : rot -86:sc= 0.0425 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= -0.441 (180deg=-1.01) USER MOD Single : A 110 SER OG : rot -111:sc= 0.236 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.38) 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 :FLIP amide:sc= -0.34 F(o=-0.87,f=-0.34) USER MOD Single : A 126 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.27) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot -82:sc= 0.544 USER MOD Single : A 152 MET CE :methyl -165:sc= -0.154 (180deg=-0.417) USER MOD Single : A 153 THR OG1 : rot 1:sc= 1.24 USER MOD Single : A 155 ASN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 157 LYS NZ :NH3+ -107:sc= -0.423 (180deg=-2.4!) 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= 0.426 K(o=0.43,f=-5.1!) USER MOD Single : A 167 LYS NZ :NH3+ 150:sc= -1.18 (180deg=-2.86!) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 2.406 9.270 10.022 1.00 21.51 N ATOM 37 CA PHE A 99 1.368 8.299 9.636 1.00 63.44 C ATOM 38 C PHE A 99 0.648 8.902 8.426 1.00 60.53 C ATOM 39 O PHE A 99 0.101 10.003 8.542 1.00 13.45 O ATOM 40 CB PHE A 99 0.365 8.038 10.802 1.00 22.10 C ATOM 41 CG PHE A 99 -0.526 6.799 10.623 1.00 24.24 C ATOM 42 CD1 PHE A 99 -1.743 6.874 9.938 1.00 10.14 C ATOM 43 CD2 PHE A 99 -0.150 5.562 11.151 1.00 1.14 C ATOM 44 CE1 PHE A 99 -2.548 5.758 9.791 1.00 72.20 C ATOM 45 CE2 PHE A 99 -0.957 4.449 11.003 1.00 71.43 C ATOM 46 CZ PHE A 99 -2.155 4.547 10.322 1.00 22.42 C ATOM 0 HA PHE A 99 1.813 7.333 9.397 1.00 63.44 H new ATOM 0 HB2 PHE A 99 0.928 7.932 11.729 1.00 22.10 H new ATOM 0 HB3 PHE A 99 -0.274 8.914 10.915 1.00 22.10 H new ATOM 0 HD1 PHE A 99 -2.059 7.817 9.517 1.00 10.14 H new ATOM 0 HD2 PHE A 99 0.786 5.473 11.683 1.00 1.14 H new ATOM 0 HE1 PHE A 99 -3.485 5.835 9.260 1.00 72.20 H new ATOM 0 HE2 PHE A 99 -0.650 3.501 11.421 1.00 71.43 H new ATOM 0 HZ PHE A 99 -2.783 3.676 10.205 1.00 22.42 H new ATOM 56 N LYS A 100 0.728 8.209 7.265 1.00 54.42 N ATOM 57 CA LYS A 100 0.198 8.652 5.937 1.00 33.53 C ATOM 58 C LYS A 100 0.704 10.064 5.509 1.00 22.42 C ATOM 59 O LYS A 100 0.174 10.671 4.573 1.00 63.23 O ATOM 60 CB LYS A 100 -1.364 8.533 5.855 1.00 34.34 C ATOM 61 CG LYS A 100 -2.177 9.674 6.522 1.00 15.24 C ATOM 62 CD LYS A 100 -3.695 9.418 6.502 1.00 1.40 C ATOM 63 CE LYS A 100 -4.094 8.194 7.340 1.00 12.23 C ATOM 64 NZ LYS A 100 -5.527 7.853 7.169 1.00 71.41 N ATOM 0 H LYS A 100 1.177 7.294 7.217 1.00 54.42 H new ATOM 0 HA LYS A 100 0.612 7.957 5.206 1.00 33.53 H new ATOM 0 HB2 LYS A 100 -1.648 8.480 4.804 1.00 34.34 H new ATOM 0 HB3 LYS A 100 -1.660 7.589 6.313 1.00 34.34 H new ATOM 0 HG2 LYS A 100 -1.847 9.793 7.554 1.00 15.24 H new ATOM 0 HG3 LYS A 100 -1.965 10.612 6.009 1.00 15.24 H new ATOM 0 HD2 LYS A 100 -4.214 10.299 6.880 1.00 1.40 H new ATOM 0 HD3 LYS A 100 -4.023 9.272 5.473 1.00 1.40 H new ATOM 0 HE2 LYS A 100 -3.480 7.340 7.052 1.00 12.23 H new ATOM 0 HE3 LYS A 100 -3.891 8.392 8.392 1.00 12.23 H new ATOM 0 HZ1 LYS A 100 -5.754 7.012 7.737 1.00 71.41 H new ATOM 0 HZ2 LYS A 100 -6.114 8.652 7.484 1.00 71.41 H new ATOM 0 HZ3 LYS A 100 -5.720 7.656 6.166 1.00 71.41 H new ATOM 78 N THR A 101 1.769 10.546 6.184 1.00 64.32 N ATOM 79 CA THR A 101 2.465 11.801 5.846 1.00 15.04 C ATOM 80 C THR A 101 3.537 11.553 4.757 1.00 11.41 C ATOM 81 O THR A 101 4.244 12.472 4.341 1.00 11.10 O ATOM 82 CB THR A 101 3.109 12.421 7.134 1.00 71.23 C ATOM 83 OG1 THR A 101 3.874 11.415 7.824 1.00 45.54 O ATOM 84 CG2 THR A 101 2.049 12.998 8.095 1.00 11.01 C ATOM 0 H THR A 101 2.173 10.067 6.989 1.00 64.32 H new ATOM 0 HA THR A 101 1.739 12.509 5.447 1.00 15.04 H new ATOM 0 HB THR A 101 3.753 13.240 6.815 1.00 71.23 H new ATOM 0 HG1 THR A 101 3.285 10.910 8.423 1.00 45.54 H new ATOM 0 HG21 THR A 101 2.542 13.416 8.972 1.00 11.01 H new ATOM 0 HG22 THR A 101 1.486 13.781 7.588 1.00 11.01 H new ATOM 0 HG23 THR A 101 1.369 12.205 8.405 1.00 11.01 H new ATOM 92 N ALA A 102 3.635 10.286 4.319 1.00 15.41 N ATOM 93 CA ALA A 102 4.460 9.843 3.189 1.00 13.24 C ATOM 94 C ALA A 102 3.699 8.735 2.440 1.00 34.42 C ATOM 95 O ALA A 102 2.857 8.048 3.037 1.00 13.25 O ATOM 96 CB ALA A 102 5.825 9.337 3.686 1.00 50.42 C ATOM 0 H ALA A 102 3.125 9.520 4.758 1.00 15.41 H new ATOM 0 HA ALA A 102 4.649 10.677 2.513 1.00 13.24 H new ATOM 0 HB1 ALA A 102 6.424 9.012 2.835 1.00 50.42 H new ATOM 0 HB2 ALA A 102 6.343 10.141 4.209 1.00 50.42 H new ATOM 0 HB3 ALA A 102 5.676 8.498 4.366 1.00 50.42 H new ATOM 102 N LEU A 103 3.990 8.576 1.139 1.00 31.12 N ATOM 103 CA LEU A 103 3.324 7.573 0.279 1.00 71.21 C ATOM 104 C LEU A 103 3.788 6.128 0.579 1.00 4.23 C ATOM 105 O LEU A 103 4.888 5.893 1.096 1.00 14.10 O ATOM 106 CB LEU A 103 3.542 7.915 -1.221 1.00 21.35 C ATOM 107 CG LEU A 103 2.863 9.224 -1.734 1.00 2.34 C ATOM 108 CD1 LEU A 103 3.176 9.471 -3.229 1.00 4.01 C ATOM 109 CD2 LEU A 103 1.340 9.190 -1.478 1.00 62.01 C ATOM 0 H LEU A 103 4.690 9.135 0.651 1.00 31.12 H new ATOM 0 HA LEU A 103 2.259 7.616 0.507 1.00 71.21 H new ATOM 0 HB2 LEU A 103 4.614 7.991 -1.403 1.00 21.35 H new ATOM 0 HB3 LEU A 103 3.175 7.081 -1.820 1.00 21.35 H new ATOM 0 HG LEU A 103 3.279 10.060 -1.171 1.00 2.34 H new ATOM 0 HD11 LEU A 103 2.689 10.390 -3.556 1.00 4.01 H new ATOM 0 HD12 LEU A 103 4.254 9.564 -3.365 1.00 4.01 H new ATOM 0 HD13 LEU A 103 2.806 8.634 -3.821 1.00 4.01 H new ATOM 0 HD21 LEU A 103 0.889 10.112 -1.844 1.00 62.01 H new ATOM 0 HD22 LEU A 103 0.902 8.340 -2.001 1.00 62.01 H new ATOM 0 HD23 LEU A 103 1.153 9.094 -0.408 1.00 62.01 H new ATOM 121 N CYS A 104 2.912 5.176 0.223 1.00 62.00 N ATOM 122 CA CYS A 104 3.110 3.733 0.423 1.00 75.05 C ATOM 123 C CYS A 104 3.864 3.146 -0.774 1.00 52.03 C ATOM 124 O CYS A 104 3.357 3.161 -1.905 1.00 71.31 O ATOM 125 CB CYS A 104 1.732 3.059 0.600 1.00 11.23 C ATOM 126 SG CYS A 104 1.733 1.238 0.685 1.00 3.04 S ATOM 0 H CYS A 104 2.022 5.395 -0.224 1.00 62.00 H new ATOM 0 HA CYS A 104 3.706 3.553 1.318 1.00 75.05 H new ATOM 0 HB2 CYS A 104 1.276 3.444 1.512 1.00 11.23 H new ATOM 0 HB3 CYS A 104 1.093 3.363 -0.229 1.00 11.23 H new ATOM 0 HG CYS A 104 1.538 0.861 1.914 1.00 3.04 H new ATOM 131 N ASP A 105 5.092 2.666 -0.526 1.00 22.12 N ATOM 132 CA ASP A 105 5.975 2.124 -1.576 1.00 43.41 C ATOM 133 C ASP A 105 5.422 0.808 -2.129 1.00 44.53 C ATOM 134 O ASP A 105 5.453 0.580 -3.336 1.00 32.05 O ATOM 135 CB ASP A 105 7.417 1.940 -1.038 1.00 45.33 C ATOM 136 CG ASP A 105 8.050 3.258 -0.557 1.00 74.31 C ATOM 137 OD1 ASP A 105 8.546 3.323 0.593 1.00 23.14 O ATOM 138 OD2 ASP A 105 8.046 4.244 -1.330 1.00 72.21 O ATOM 0 H ASP A 105 5.503 2.642 0.407 1.00 22.12 H new ATOM 0 HA ASP A 105 6.010 2.842 -2.396 1.00 43.41 H new ATOM 0 HB2 ASP A 105 7.403 1.227 -0.213 1.00 45.33 H new ATOM 0 HB3 ASP A 105 8.040 1.509 -1.822 1.00 45.33 H new ATOM 143 N ALA A 106 4.863 -0.017 -1.230 1.00 72.14 N ATOM 144 CA ALA A 106 4.240 -1.309 -1.580 1.00 24.05 C ATOM 145 C ALA A 106 3.003 -1.117 -2.484 1.00 53.22 C ATOM 146 O ALA A 106 2.675 -1.985 -3.292 1.00 20.43 O ATOM 147 CB ALA A 106 3.871 -2.071 -0.299 1.00 10.40 C ATOM 0 H ALA A 106 4.829 0.192 -0.232 1.00 72.14 H new ATOM 0 HA ALA A 106 4.963 -1.896 -2.147 1.00 24.05 H new ATOM 0 HB1 ALA A 106 3.412 -3.024 -0.562 1.00 10.40 H new ATOM 0 HB2 ALA A 106 4.771 -2.252 0.289 1.00 10.40 H new ATOM 0 HB3 ALA A 106 3.168 -1.479 0.287 1.00 10.40 H new ATOM 153 N TYR A 107 2.334 0.036 -2.336 1.00 40.14 N ATOM 154 CA TYR A 107 1.176 0.415 -3.167 1.00 64.44 C ATOM 155 C TYR A 107 1.626 0.836 -4.579 1.00 62.51 C ATOM 156 O TYR A 107 0.906 0.626 -5.554 1.00 42.14 O ATOM 157 CB TYR A 107 0.407 1.562 -2.473 1.00 31.41 C ATOM 158 CG TYR A 107 -0.825 2.087 -3.229 1.00 1.34 C ATOM 159 CD1 TYR A 107 -2.027 1.379 -3.229 1.00 21.34 C ATOM 160 CD2 TYR A 107 -0.782 3.295 -3.935 1.00 30.51 C ATOM 161 CE1 TYR A 107 -3.136 1.854 -3.901 1.00 30.40 C ATOM 162 CE2 TYR A 107 -1.886 3.771 -4.608 1.00 1.34 C ATOM 163 CZ TYR A 107 -3.063 3.048 -4.589 1.00 74.52 C ATOM 164 OH TYR A 107 -4.171 3.518 -5.263 1.00 34.45 O ATOM 0 H TYR A 107 2.580 0.735 -1.635 1.00 40.14 H new ATOM 0 HA TYR A 107 0.517 -0.447 -3.276 1.00 64.44 H new ATOM 0 HB2 TYR A 107 0.088 1.219 -1.489 1.00 31.41 H new ATOM 0 HB3 TYR A 107 1.095 2.393 -2.314 1.00 31.41 H new ATOM 0 HD1 TYR A 107 -2.091 0.443 -2.694 1.00 21.34 H new ATOM 0 HD2 TYR A 107 0.135 3.865 -3.953 1.00 30.51 H new ATOM 0 HE1 TYR A 107 -4.058 1.292 -3.888 1.00 30.40 H new ATOM 0 HE2 TYR A 107 -1.831 4.705 -5.148 1.00 1.34 H new ATOM 0 HH TYR A 107 -3.954 4.371 -5.695 1.00 34.45 H new ATOM 174 N LYS A 108 2.813 1.451 -4.673 1.00 34.13 N ATOM 175 CA LYS A 108 3.349 1.954 -5.952 1.00 21.32 C ATOM 176 C LYS A 108 4.083 0.839 -6.738 1.00 10.10 C ATOM 177 O LYS A 108 4.170 0.901 -7.969 1.00 54.41 O ATOM 178 CB LYS A 108 4.277 3.172 -5.701 1.00 31.10 C ATOM 179 CG LYS A 108 3.583 4.379 -5.014 1.00 51.24 C ATOM 180 CD LYS A 108 4.486 5.638 -4.935 1.00 72.04 C ATOM 181 CE LYS A 108 5.758 5.439 -4.086 1.00 40.31 C ATOM 182 NZ LYS A 108 5.459 5.264 -2.642 1.00 20.41 N ATOM 0 H LYS A 108 3.426 1.614 -3.874 1.00 34.13 H new ATOM 0 HA LYS A 108 2.511 2.280 -6.568 1.00 21.32 H new ATOM 0 HB2 LYS A 108 5.116 2.852 -5.084 1.00 31.10 H new ATOM 0 HB3 LYS A 108 4.690 3.501 -6.655 1.00 31.10 H new ATOM 0 HG2 LYS A 108 2.673 4.626 -5.561 1.00 51.24 H new ATOM 0 HG3 LYS A 108 3.282 4.092 -4.007 1.00 51.24 H new ATOM 0 HD2 LYS A 108 4.776 5.930 -5.944 1.00 72.04 H new ATOM 0 HD3 LYS A 108 3.908 6.463 -4.519 1.00 72.04 H new ATOM 0 HE2 LYS A 108 6.300 4.566 -4.449 1.00 40.31 H new ATOM 0 HE3 LYS A 108 6.415 6.299 -4.216 1.00 40.31 H new ATOM 0 HZ1 LYS A 108 6.253 4.777 -2.179 1.00 20.41 H new ATOM 0 HZ2 LYS A 108 5.319 6.195 -2.201 1.00 20.41 H new ATOM 0 HZ3 LYS A 108 4.594 4.696 -2.533 1.00 20.41 H new ATOM 196 N ARG A 109 4.610 -0.177 -6.019 1.00 34.53 N ATOM 197 CA ARG A 109 5.358 -1.301 -6.637 1.00 61.22 C ATOM 198 C ARG A 109 4.420 -2.470 -6.990 1.00 2.34 C ATOM 199 O ARG A 109 4.409 -2.946 -8.131 1.00 63.41 O ATOM 200 CB ARG A 109 6.480 -1.797 -5.681 1.00 73.31 C ATOM 201 CG ARG A 109 7.572 -0.751 -5.351 1.00 62.23 C ATOM 202 CD ARG A 109 8.302 -0.219 -6.596 1.00 31.44 C ATOM 203 NE ARG A 109 9.388 0.715 -6.239 1.00 63.32 N ATOM 204 CZ ARG A 109 9.928 1.634 -7.061 1.00 62.52 C ATOM 205 NH1 ARG A 109 9.491 1.775 -8.311 1.00 12.32 N ATOM 206 NH2 ARG A 109 10.905 2.416 -6.617 1.00 32.03 N ATOM 0 H ARG A 109 4.532 -0.244 -5.004 1.00 34.53 H new ATOM 0 HA ARG A 109 5.808 -0.932 -7.559 1.00 61.22 H new ATOM 0 HB2 ARG A 109 6.022 -2.127 -4.749 1.00 73.31 H new ATOM 0 HB3 ARG A 109 6.957 -2.669 -6.128 1.00 73.31 H new ATOM 0 HG2 ARG A 109 7.116 0.085 -4.821 1.00 62.23 H new ATOM 0 HG3 ARG A 109 8.301 -1.198 -4.675 1.00 62.23 H new ATOM 0 HD2 ARG A 109 8.713 -1.055 -7.161 1.00 31.44 H new ATOM 0 HD3 ARG A 109 7.589 0.286 -7.248 1.00 31.44 H new ATOM 0 HE ARG A 109 9.760 0.659 -5.291 1.00 63.32 H new ATOM 0 HH11 ARG A 109 8.737 1.182 -8.658 1.00 12.32 H new ATOM 0 HH12 ARG A 109 9.910 2.476 -8.922 1.00 12.32 H new ATOM 0 HH21 ARG A 109 11.241 2.318 -5.659 1.00 32.03 H new ATOM 0 HH22 ARG A 109 11.319 3.115 -7.234 1.00 32.03 H new ATOM 220 N SER A 110 3.621 -2.912 -6.004 1.00 62.31 N ATOM 221 CA SER A 110 2.731 -4.087 -6.144 1.00 61.32 C ATOM 222 C SER A 110 1.362 -3.696 -6.726 1.00 52.42 C ATOM 223 O SER A 110 0.602 -4.582 -7.131 1.00 63.04 O ATOM 224 CB SER A 110 2.559 -4.775 -4.766 1.00 71.25 C ATOM 225 OG SER A 110 1.748 -5.935 -4.836 1.00 60.52 O ATOM 0 H SER A 110 3.571 -2.468 -5.087 1.00 62.31 H new ATOM 0 HA SER A 110 3.193 -4.784 -6.843 1.00 61.32 H new ATOM 0 HB2 SER A 110 3.539 -5.044 -4.373 1.00 71.25 H new ATOM 0 HB3 SER A 110 2.117 -4.068 -4.063 1.00 71.25 H new ATOM 0 HG SER A 110 0.898 -5.768 -4.377 1.00 60.52 H new ATOM 231 N GLN A 111 1.070 -2.367 -6.750 1.00 24.12 N ATOM 232 CA GLN A 111 -0.224 -1.787 -7.180 1.00 23.41 C ATOM 233 C GLN A 111 -1.271 -2.002 -6.069 1.00 53.45 C ATOM 234 O GLN A 111 -1.742 -1.038 -5.450 1.00 3.42 O ATOM 235 CB GLN A 111 -0.702 -2.324 -8.565 1.00 21.51 C ATOM 236 CG GLN A 111 -1.988 -1.674 -9.119 1.00 14.32 C ATOM 237 CD GLN A 111 -2.392 -2.206 -10.502 1.00 2.10 C ATOM 238 OE1 GLN A 111 -2.135 -3.365 -10.840 1.00 1.42 O ATOM 239 NE2 GLN A 111 -3.012 -1.363 -11.315 1.00 44.15 N ATOM 0 H GLN A 111 1.745 -1.658 -6.464 1.00 24.12 H new ATOM 0 HA GLN A 111 -0.087 -0.716 -7.331 1.00 23.41 H new ATOM 0 HB2 GLN A 111 0.100 -2.178 -9.289 1.00 21.51 H new ATOM 0 HB3 GLN A 111 -0.865 -3.399 -8.483 1.00 21.51 H new ATOM 0 HG2 GLN A 111 -2.805 -1.847 -8.418 1.00 14.32 H new ATOM 0 HG3 GLN A 111 -1.844 -0.595 -9.180 1.00 14.32 H new ATOM 0 HE21 GLN A 111 -3.211 -0.411 -11.007 1.00 44.15 H new ATOM 0 HE22 GLN A 111 -3.290 -1.666 -12.248 1.00 44.15 H new ATOM 248 N ALA A 112 -1.612 -3.273 -5.811 1.00 11.45 N ATOM 249 CA ALA A 112 -2.436 -3.665 -4.664 1.00 33.23 C ATOM 250 C ALA A 112 -1.534 -3.872 -3.427 1.00 12.00 C ATOM 251 O ALA A 112 -0.737 -4.821 -3.382 1.00 55.00 O ATOM 252 CB ALA A 112 -3.227 -4.940 -5.000 1.00 71.14 C ATOM 0 H ALA A 112 -1.322 -4.058 -6.395 1.00 11.45 H new ATOM 0 HA ALA A 112 -3.153 -2.876 -4.437 1.00 33.23 H new ATOM 0 HB1 ALA A 112 -3.837 -5.226 -4.143 1.00 71.14 H new ATOM 0 HB2 ALA A 112 -3.872 -4.752 -5.859 1.00 71.14 H new ATOM 0 HB3 ALA A 112 -2.533 -5.747 -5.237 1.00 71.14 H new ATOM 258 N CYS A 113 -1.639 -2.951 -2.456 1.00 50.33 N ATOM 259 CA CYS A 113 -0.912 -3.026 -1.173 1.00 32.42 C ATOM 260 C CYS A 113 -1.489 -4.169 -0.307 1.00 71.22 C ATOM 261 O CYS A 113 -2.712 -4.270 -0.158 1.00 20.35 O ATOM 262 CB CYS A 113 -1.029 -1.663 -0.453 1.00 61.32 C ATOM 263 SG CYS A 113 -0.237 -1.541 1.188 1.00 31.51 S ATOM 0 H CYS A 113 -2.234 -2.127 -2.537 1.00 50.33 H new ATOM 0 HA CYS A 113 0.142 -3.242 -1.349 1.00 32.42 H new ATOM 0 HB2 CYS A 113 -0.598 -0.898 -1.098 1.00 61.32 H new ATOM 0 HB3 CYS A 113 -2.087 -1.426 -0.340 1.00 61.32 H new ATOM 0 HG CYS A 113 0.634 -0.576 1.179 1.00 31.51 H new ATOM 268 N SER A 114 -0.600 -5.011 0.252 1.00 30.44 N ATOM 269 CA SER A 114 -0.978 -6.242 0.983 1.00 62.12 C ATOM 270 C SER A 114 -1.816 -5.941 2.244 1.00 22.55 C ATOM 271 O SER A 114 -2.755 -6.682 2.559 1.00 2.22 O ATOM 272 CB SER A 114 0.289 -7.046 1.350 1.00 30.32 C ATOM 273 OG SER A 114 1.070 -7.323 0.195 1.00 12.21 O ATOM 0 H SER A 114 0.408 -4.858 0.211 1.00 30.44 H new ATOM 0 HA SER A 114 -1.606 -6.839 0.322 1.00 62.12 H new ATOM 0 HB2 SER A 114 0.885 -6.484 2.070 1.00 30.32 H new ATOM 0 HB3 SER A 114 0.004 -7.981 1.833 1.00 30.32 H new ATOM 0 HG SER A 114 1.867 -7.831 0.453 1.00 12.21 H new ATOM 279 N TYR A 115 -1.476 -4.845 2.948 1.00 52.20 N ATOM 280 CA TYR A 115 -2.217 -4.406 4.150 1.00 24.30 C ATOM 281 C TYR A 115 -3.558 -3.741 3.762 1.00 4.33 C ATOM 282 O TYR A 115 -4.526 -3.793 4.528 1.00 51.03 O ATOM 283 CB TYR A 115 -1.364 -3.422 4.987 1.00 53.15 C ATOM 284 CG TYR A 115 -0.024 -3.989 5.488 1.00 50.05 C ATOM 285 CD1 TYR A 115 0.013 -5.063 6.381 1.00 30.31 C ATOM 286 CD2 TYR A 115 1.198 -3.446 5.080 1.00 71.53 C ATOM 287 CE1 TYR A 115 1.212 -5.569 6.846 1.00 41.01 C ATOM 288 CE2 TYR A 115 2.397 -3.951 5.540 1.00 12.22 C ATOM 289 CZ TYR A 115 2.401 -5.011 6.423 1.00 54.42 C ATOM 290 OH TYR A 115 3.601 -5.518 6.886 1.00 52.23 O ATOM 0 H TYR A 115 -0.689 -4.243 2.705 1.00 52.20 H new ATOM 0 HA TYR A 115 -2.430 -5.290 4.751 1.00 24.30 H new ATOM 0 HB2 TYR A 115 -1.164 -2.535 4.386 1.00 53.15 H new ATOM 0 HB3 TYR A 115 -1.949 -3.098 5.848 1.00 53.15 H new ATOM 0 HD1 TYR A 115 -0.914 -5.506 6.714 1.00 30.31 H new ATOM 0 HD2 TYR A 115 1.204 -2.614 4.391 1.00 71.53 H new ATOM 0 HE1 TYR A 115 1.218 -6.398 7.538 1.00 41.01 H new ATOM 0 HE2 TYR A 115 3.330 -3.518 5.210 1.00 12.22 H new ATOM 0 HH TYR A 115 4.343 -5.014 6.491 1.00 52.23 H new ATOM 300 N GLY A 116 -3.591 -3.121 2.566 1.00 11.25 N ATOM 301 CA GLY A 116 -4.772 -2.402 2.083 1.00 60.44 C ATOM 302 C GLY A 116 -5.067 -1.157 2.912 1.00 32.15 C ATOM 303 O GLY A 116 -4.204 -0.299 3.055 1.00 43.42 O ATOM 0 H GLY A 116 -2.804 -3.108 1.917 1.00 11.25 H new ATOM 0 HA2 GLY A 116 -4.621 -2.116 1.042 1.00 60.44 H new ATOM 0 HA3 GLY A 116 -5.636 -3.067 2.109 1.00 60.44 H new ATOM 307 N ASP A 117 -6.267 -1.086 3.501 1.00 31.25 N ATOM 308 CA ASP A 117 -6.688 0.057 4.347 1.00 71.04 C ATOM 309 C ASP A 117 -5.973 0.047 5.716 1.00 34.25 C ATOM 310 O ASP A 117 -5.992 1.050 6.438 1.00 55.41 O ATOM 311 CB ASP A 117 -8.228 0.049 4.535 1.00 10.13 C ATOM 312 CG ASP A 117 -8.990 0.268 3.214 1.00 23.24 C ATOM 313 OD1 ASP A 117 -9.446 1.405 2.950 1.00 14.35 O ATOM 314 OD2 ASP A 117 -9.121 -0.694 2.421 1.00 44.24 O ATOM 0 H ASP A 117 -6.977 -1.812 3.410 1.00 31.25 H new ATOM 0 HA ASP A 117 -6.400 0.975 3.834 1.00 71.04 H new ATOM 0 HB2 ASP A 117 -8.532 -0.903 4.971 1.00 10.13 H new ATOM 0 HB3 ASP A 117 -8.507 0.828 5.244 1.00 10.13 H new ATOM 319 N GLN A 118 -5.343 -1.098 6.059 1.00 62.11 N ATOM 320 CA GLN A 118 -4.557 -1.261 7.303 1.00 44.40 C ATOM 321 C GLN A 118 -3.109 -0.736 7.128 1.00 72.24 C ATOM 322 O GLN A 118 -2.313 -0.788 8.072 1.00 33.41 O ATOM 323 CB GLN A 118 -4.529 -2.759 7.749 1.00 65.41 C ATOM 324 CG GLN A 118 -5.893 -3.381 8.150 1.00 25.00 C ATOM 325 CD GLN A 118 -6.856 -3.620 6.979 1.00 71.30 C ATOM 326 OE1 GLN A 118 -7.715 -2.653 6.692 1.00 44.33 O flip ATOM 327 NE2 GLN A 118 -6.831 -4.674 6.344 1.00 44.04 N flip ATOM 0 H GLN A 118 -5.365 -1.937 5.480 1.00 62.11 H new ATOM 0 HA GLN A 118 -5.046 -0.670 8.078 1.00 44.40 H new ATOM 0 HB2 GLN A 118 -4.109 -3.351 6.936 1.00 65.41 H new ATOM 0 HB3 GLN A 118 -3.848 -2.852 8.595 1.00 65.41 H new ATOM 0 HG2 GLN A 118 -5.710 -4.331 8.653 1.00 25.00 H new ATOM 0 HG3 GLN A 118 -6.378 -2.725 8.874 1.00 25.00 H new ATOM 0 HE21 GLN A 118 -6.158 -5.401 6.588 1.00 44.04 H new ATOM 0 HE22 GLN A 118 -7.483 -4.821 5.574 1.00 44.04 H new ATOM 336 N CYS A 119 -2.783 -0.238 5.917 1.00 13.22 N ATOM 337 CA CYS A 119 -1.450 0.297 5.584 1.00 11.02 C ATOM 338 C CYS A 119 -1.216 1.650 6.284 1.00 73.41 C ATOM 339 O CYS A 119 -2.044 2.564 6.176 1.00 1.23 O ATOM 340 CB CYS A 119 -1.314 0.437 4.054 1.00 23.42 C ATOM 341 SG CYS A 119 0.306 1.018 3.471 1.00 64.32 S ATOM 0 H CYS A 119 -3.442 -0.196 5.140 1.00 13.22 H new ATOM 0 HA CYS A 119 -0.689 -0.397 5.941 1.00 11.02 H new ATOM 0 HB2 CYS A 119 -1.521 -0.531 3.597 1.00 23.42 H new ATOM 0 HB3 CYS A 119 -2.079 1.128 3.699 1.00 23.42 H new ATOM 0 HG CYS A 119 0.192 1.480 2.261 1.00 64.32 H new ATOM 346 N ARG A 120 -0.078 1.752 6.993 1.00 34.31 N ATOM 347 CA ARG A 120 0.290 2.936 7.807 1.00 22.23 C ATOM 348 C ARG A 120 0.646 4.162 6.933 1.00 65.35 C ATOM 349 O ARG A 120 0.574 5.302 7.404 1.00 52.20 O ATOM 350 CB ARG A 120 1.473 2.571 8.750 1.00 32.34 C ATOM 351 CG ARG A 120 2.742 2.091 8.017 1.00 11.24 C ATOM 352 CD ARG A 120 3.875 1.654 8.956 1.00 54.33 C ATOM 353 NE ARG A 120 5.033 1.134 8.200 1.00 12.13 N ATOM 354 CZ ARG A 120 6.058 0.433 8.717 1.00 63.33 C ATOM 355 NH1 ARG A 120 6.109 0.136 10.013 1.00 52.14 N ATOM 356 NH2 ARG A 120 7.035 0.021 7.921 1.00 23.12 N ATOM 0 H ARG A 120 0.622 1.011 7.021 1.00 34.31 H new ATOM 0 HA ARG A 120 -0.579 3.218 8.402 1.00 22.23 H new ATOM 0 HB2 ARG A 120 1.724 3.443 9.354 1.00 32.34 H new ATOM 0 HB3 ARG A 120 1.147 1.790 9.438 1.00 32.34 H new ATOM 0 HG2 ARG A 120 2.480 1.256 7.367 1.00 11.24 H new ATOM 0 HG3 ARG A 120 3.105 2.894 7.375 1.00 11.24 H new ATOM 0 HD2 ARG A 120 4.189 2.500 9.568 1.00 54.33 H new ATOM 0 HD3 ARG A 120 3.509 0.886 9.637 1.00 54.33 H new ATOM 0 HE ARG A 120 5.057 1.323 7.198 1.00 12.13 H new ATOM 0 HH11 ARG A 120 5.361 0.441 10.636 1.00 52.14 H new ATOM 0 HH12 ARG A 120 6.896 -0.397 10.384 1.00 52.14 H new ATOM 0 HH21 ARG A 120 7.006 0.236 6.924 1.00 23.12 H new ATOM 0 HH22 ARG A 120 7.816 -0.511 8.305 1.00 23.12 H new ATOM 370 N PHE A 121 1.032 3.909 5.669 1.00 54.22 N ATOM 371 CA PHE A 121 1.397 4.963 4.697 1.00 44.13 C ATOM 372 C PHE A 121 0.257 5.205 3.686 1.00 2.42 C ATOM 373 O PHE A 121 -0.632 4.362 3.508 1.00 63.12 O ATOM 374 CB PHE A 121 2.724 4.614 3.975 1.00 15.51 C ATOM 375 CG PHE A 121 3.964 4.748 4.860 1.00 22.34 C ATOM 376 CD1 PHE A 121 4.474 6.010 5.172 1.00 4.32 C ATOM 377 CD2 PHE A 121 4.618 3.631 5.376 1.00 62.33 C ATOM 378 CE1 PHE A 121 5.594 6.146 5.969 1.00 34.41 C ATOM 379 CE2 PHE A 121 5.739 3.770 6.174 1.00 51.15 C ATOM 380 CZ PHE A 121 6.227 5.026 6.470 1.00 1.35 C ATOM 0 H PHE A 121 1.101 2.965 5.289 1.00 54.22 H new ATOM 0 HA PHE A 121 1.551 5.891 5.248 1.00 44.13 H new ATOM 0 HB2 PHE A 121 2.665 3.592 3.601 1.00 15.51 H new ATOM 0 HB3 PHE A 121 2.836 5.265 3.108 1.00 15.51 H new ATOM 0 HD1 PHE A 121 3.986 6.892 4.785 1.00 4.32 H new ATOM 0 HD2 PHE A 121 4.244 2.643 5.150 1.00 62.33 H new ATOM 0 HE1 PHE A 121 5.975 7.130 6.201 1.00 34.41 H new ATOM 0 HE2 PHE A 121 6.233 2.894 6.566 1.00 51.15 H new ATOM 0 HZ PHE A 121 7.103 5.133 7.093 1.00 1.35 H new ATOM 390 N ALA A 122 0.324 6.377 3.037 1.00 64.02 N ATOM 391 CA ALA A 122 -0.742 6.924 2.185 1.00 41.53 C ATOM 392 C ALA A 122 -0.842 6.225 0.821 1.00 25.53 C ATOM 393 O ALA A 122 0.169 5.984 0.164 1.00 60.14 O ATOM 394 CB ALA A 122 -0.484 8.414 1.977 1.00 71.33 C ATOM 0 H ALA A 122 1.141 6.985 3.092 1.00 64.02 H new ATOM 0 HA ALA A 122 -1.691 6.754 2.694 1.00 41.53 H new ATOM 0 HB1 ALA A 122 -1.267 8.834 1.346 1.00 71.33 H new ATOM 0 HB2 ALA A 122 -0.484 8.921 2.942 1.00 71.33 H new ATOM 0 HB3 ALA A 122 0.484 8.552 1.494 1.00 71.33 H new ATOM 400 N HIS A 123 -2.079 5.932 0.399 1.00 41.15 N ATOM 401 CA HIS A 123 -2.377 5.357 -0.924 1.00 54.04 C ATOM 402 C HIS A 123 -2.820 6.471 -1.879 1.00 51.51 C ATOM 403 O HIS A 123 -4.015 6.755 -2.017 1.00 23.33 O ATOM 404 CB HIS A 123 -3.455 4.245 -0.793 1.00 54.41 C ATOM 405 CG HIS A 123 -2.970 2.995 -0.106 1.00 31.13 C ATOM 406 ND1 HIS A 123 -3.728 1.860 0.025 1.00 22.02 N ATOM 407 CD2 HIS A 123 -1.755 2.695 0.431 1.00 3.15 C ATOM 408 CE1 HIS A 123 -2.974 0.931 0.608 1.00 63.25 C ATOM 409 NE2 HIS A 123 -1.756 1.384 0.879 1.00 24.32 N ATOM 0 H HIS A 123 -2.910 6.088 0.970 1.00 41.15 H new ATOM 0 HA HIS A 123 -1.480 4.895 -1.337 1.00 54.04 H new ATOM 0 HB2 HIS A 123 -4.307 4.643 -0.241 1.00 54.41 H new ATOM 0 HB3 HIS A 123 -3.814 3.983 -1.788 1.00 54.41 H new ATOM 0 HD1 HIS A 123 -4.697 1.748 -0.272 1.00 22.02 H new ATOM 0 HD2 HIS A 123 -0.919 3.375 0.497 1.00 3.15 H new ATOM 0 HE1 HIS A 123 -3.312 -0.070 0.833 1.00 63.25 H new ATOM 417 N GLY A 124 -1.832 7.127 -2.504 1.00 75.12 N ATOM 418 CA GLY A 124 -2.078 8.294 -3.354 1.00 43.10 C ATOM 419 C GLY A 124 -1.959 9.596 -2.571 1.00 24.51 C ATOM 420 O GLY A 124 -2.112 9.601 -1.342 1.00 53.14 O ATOM 0 H GLY A 124 -0.849 6.864 -2.434 1.00 75.12 H new ATOM 0 HA2 GLY A 124 -1.366 8.299 -4.180 1.00 43.10 H new ATOM 0 HA3 GLY A 124 -3.074 8.222 -3.792 1.00 43.10 H new ATOM 424 N VAL A 125 -1.695 10.704 -3.288 1.00 44.51 N ATOM 425 CA VAL A 125 -1.462 12.037 -2.675 1.00 54.11 C ATOM 426 C VAL A 125 -2.763 12.573 -2.035 1.00 51.33 C ATOM 427 O VAL A 125 -2.732 13.407 -1.119 1.00 51.13 O ATOM 428 CB VAL A 125 -0.904 13.071 -3.732 1.00 1.23 C ATOM 429 CG1 VAL A 125 -0.421 14.387 -3.068 1.00 42.54 C ATOM 430 CG2 VAL A 125 0.216 12.436 -4.585 1.00 10.14 C ATOM 0 H VAL A 125 -1.636 10.707 -4.306 1.00 44.51 H new ATOM 0 HA VAL A 125 -0.709 11.916 -1.896 1.00 54.11 H new ATOM 0 HB VAL A 125 -1.731 13.334 -4.391 1.00 1.23 H new ATOM 0 HG11 VAL A 125 -0.047 15.065 -3.835 1.00 42.54 H new ATOM 0 HG12 VAL A 125 -1.253 14.856 -2.543 1.00 42.54 H new ATOM 0 HG13 VAL A 125 0.377 14.165 -2.359 1.00 42.54 H new ATOM 0 HG21 VAL A 125 0.584 13.167 -5.305 1.00 10.14 H new ATOM 0 HG22 VAL A 125 1.034 12.122 -3.936 1.00 10.14 H new ATOM 0 HG23 VAL A 125 -0.178 11.570 -5.117 1.00 10.14 H new ATOM 440 N HIS A 126 -3.906 12.062 -2.523 1.00 0.03 N ATOM 441 CA HIS A 126 -5.229 12.383 -1.975 1.00 25.21 C ATOM 442 C HIS A 126 -5.399 11.790 -0.551 1.00 65.50 C ATOM 443 O HIS A 126 -6.014 12.412 0.324 1.00 2.13 O ATOM 444 CB HIS A 126 -6.348 11.874 -2.928 1.00 71.14 C ATOM 445 CG HIS A 126 -6.391 10.371 -3.104 1.00 32.25 C ATOM 446 ND1 HIS A 126 -7.123 9.571 -2.257 1.00 62.23 N ATOM 447 CD2 HIS A 126 -5.765 9.583 -4.014 1.00 13.34 C ATOM 448 CE1 HIS A 126 -6.925 8.335 -2.664 1.00 40.01 C ATOM 449 NE2 HIS A 126 -6.111 8.292 -3.726 1.00 4.51 N ATOM 0 H HIS A 126 -3.935 11.414 -3.310 1.00 0.03 H new ATOM 0 HA HIS A 126 -5.314 13.467 -1.895 1.00 25.21 H new ATOM 0 HB2 HIS A 126 -7.312 12.210 -2.546 1.00 71.14 H new ATOM 0 HB3 HIS A 126 -6.213 12.337 -3.905 1.00 71.14 H new ATOM 0 HD2 HIS A 126 -5.117 9.912 -4.813 1.00 13.34 H new ATOM 0 HE1 HIS A 126 -7.364 7.465 -2.199 1.00 40.01 H new ATOM 0 HE2 HIS A 126 -5.807 7.456 -4.225 1.00 4.51 H new ATOM 457 N GLU A 127 -4.841 10.579 -0.344 1.00 51.43 N ATOM 458 CA GLU A 127 -4.892 9.859 0.951 1.00 14.22 C ATOM 459 C GLU A 127 -3.730 10.348 1.853 1.00 52.21 C ATOM 460 O GLU A 127 -3.725 10.109 3.068 1.00 33.32 O ATOM 461 CB GLU A 127 -4.839 8.312 0.681 1.00 62.11 C ATOM 462 CG GLU A 127 -5.602 7.395 1.684 1.00 71.40 C ATOM 463 CD GLU A 127 -4.807 6.997 2.947 1.00 70.00 C ATOM 464 OE1 GLU A 127 -3.934 6.110 2.849 1.00 0.13 O ATOM 465 OE2 GLU A 127 -5.083 7.527 4.048 1.00 64.04 O ATOM 0 H GLU A 127 -4.340 10.069 -1.072 1.00 51.43 H new ATOM 0 HA GLU A 127 -5.823 10.068 1.478 1.00 14.22 H new ATOM 0 HB2 GLU A 127 -5.237 8.128 -0.317 1.00 62.11 H new ATOM 0 HB3 GLU A 127 -3.793 8.005 0.669 1.00 62.11 H new ATOM 0 HG2 GLU A 127 -6.515 7.903 1.994 1.00 71.40 H new ATOM 0 HG3 GLU A 127 -5.904 6.486 1.163 1.00 71.40 H new ATOM 472 N LEU A 128 -2.751 11.049 1.232 1.00 55.33 N ATOM 473 CA LEU A 128 -1.630 11.686 1.947 1.00 1.20 C ATOM 474 C LEU A 128 -2.178 12.887 2.735 1.00 43.01 C ATOM 475 O LEU A 128 -2.632 13.875 2.146 1.00 20.32 O ATOM 476 CB LEU A 128 -0.511 12.108 0.926 1.00 64.23 C ATOM 477 CG LEU A 128 0.971 12.249 1.446 1.00 33.32 C ATOM 478 CD1 LEU A 128 1.945 12.506 0.271 1.00 24.14 C ATOM 479 CD2 LEU A 128 1.137 13.345 2.524 1.00 64.04 C ATOM 0 H LEU A 128 -2.721 11.186 0.222 1.00 55.33 H new ATOM 0 HA LEU A 128 -1.173 10.989 2.649 1.00 1.20 H new ATOM 0 HB2 LEU A 128 -0.510 11.378 0.116 1.00 64.23 H new ATOM 0 HB3 LEU A 128 -0.802 13.065 0.493 1.00 64.23 H new ATOM 0 HG LEU A 128 1.217 11.299 1.920 1.00 33.32 H new ATOM 0 HD11 LEU A 128 2.961 12.600 0.654 1.00 24.14 H new ATOM 0 HD12 LEU A 128 1.897 11.673 -0.430 1.00 24.14 H new ATOM 0 HD13 LEU A 128 1.664 13.427 -0.240 1.00 24.14 H new ATOM 0 HD21 LEU A 128 2.179 13.390 2.839 1.00 64.04 H new ATOM 0 HD22 LEU A 128 0.840 14.309 2.111 1.00 64.04 H new ATOM 0 HD23 LEU A 128 0.508 13.109 3.383 1.00 64.04 H new ATOM 491 N ARG A 129 -2.146 12.773 4.067 1.00 63.42 N ATOM 492 CA ARG A 129 -2.540 13.853 4.981 1.00 55.43 C ATOM 493 C ARG A 129 -1.263 14.552 5.470 1.00 13.30 C ATOM 494 O ARG A 129 -0.449 13.948 6.176 1.00 33.05 O ATOM 495 CB ARG A 129 -3.425 13.298 6.155 1.00 51.04 C ATOM 496 CG ARG A 129 -4.920 13.710 6.095 1.00 62.34 C ATOM 497 CD ARG A 129 -5.612 13.358 4.760 1.00 23.34 C ATOM 498 NE ARG A 129 -5.647 11.904 4.505 1.00 31.14 N ATOM 499 CZ ARG A 129 -6.738 11.201 4.140 1.00 11.03 C ATOM 500 NH1 ARG A 129 -7.924 11.789 3.978 1.00 15.31 N ATOM 501 NH2 ARG A 129 -6.631 9.903 3.932 1.00 45.11 N ATOM 0 H ARG A 129 -1.844 11.924 4.545 1.00 63.42 H new ATOM 0 HA ARG A 129 -3.162 14.587 4.468 1.00 55.43 H new ATOM 0 HB2 ARG A 129 -3.362 12.210 6.155 1.00 51.04 H new ATOM 0 HB3 ARG A 129 -3.006 13.641 7.101 1.00 51.04 H new ATOM 0 HG2 ARG A 129 -5.454 13.222 6.910 1.00 62.34 H new ATOM 0 HG3 ARG A 129 -4.998 14.784 6.261 1.00 62.34 H new ATOM 0 HD2 ARG A 129 -6.631 13.746 4.770 1.00 23.34 H new ATOM 0 HD3 ARG A 129 -5.089 13.854 3.942 1.00 23.34 H new ATOM 0 HE ARG A 129 -4.773 11.389 4.614 1.00 31.14 H new ATOM 0 HH11 ARG A 129 -8.021 12.793 4.131 1.00 15.31 H new ATOM 0 HH12 ARG A 129 -8.734 11.235 3.701 1.00 15.31 H new ATOM 0 HH21 ARG A 129 -5.729 9.441 4.048 1.00 45.11 H new ATOM 0 HH22 ARG A 129 -7.450 9.362 3.656 1.00 45.11 H new ATOM 772 N VAL A 145 5.571 26.902 -3.141 1.00 52.03 N ATOM 773 CA VAL A 145 5.228 27.843 -4.218 1.00 43.33 C ATOM 774 C VAL A 145 3.873 28.502 -3.890 1.00 33.05 C ATOM 775 O VAL A 145 3.037 27.894 -3.201 1.00 51.12 O ATOM 776 CB VAL A 145 5.152 27.087 -5.606 1.00 75.11 C ATOM 777 CG1 VAL A 145 4.937 28.059 -6.797 1.00 51.31 C ATOM 778 CG2 VAL A 145 6.410 26.209 -5.828 1.00 53.53 C ATOM 0 HA VAL A 145 5.999 28.610 -4.293 1.00 43.33 H new ATOM 0 HB VAL A 145 4.279 26.436 -5.566 1.00 75.11 H new ATOM 0 HG11 VAL A 145 4.892 27.491 -7.726 1.00 51.31 H new ATOM 0 HG12 VAL A 145 4.003 28.603 -6.658 1.00 51.31 H new ATOM 0 HG13 VAL A 145 5.765 28.766 -6.844 1.00 51.31 H new ATOM 0 HG21 VAL A 145 6.333 25.700 -6.789 1.00 53.53 H new ATOM 0 HG22 VAL A 145 7.299 26.839 -5.821 1.00 53.53 H new ATOM 0 HG23 VAL A 145 6.483 25.470 -5.030 1.00 53.53 H new ATOM 788 N LEU A 146 3.672 29.744 -4.368 1.00 44.43 N ATOM 789 CA LEU A 146 2.399 30.472 -4.210 1.00 35.40 C ATOM 790 C LEU A 146 1.276 29.793 -5.016 1.00 43.41 C ATOM 791 O LEU A 146 1.537 29.118 -6.025 1.00 14.22 O ATOM 792 CB LEU A 146 2.548 31.952 -4.670 1.00 12.25 C ATOM 793 CG LEU A 146 3.626 32.808 -3.933 1.00 73.52 C ATOM 794 CD1 LEU A 146 3.675 34.248 -4.490 1.00 13.44 C ATOM 795 CD2 LEU A 146 3.403 32.807 -2.405 1.00 40.22 C ATOM 0 H LEU A 146 4.385 30.270 -4.873 1.00 44.43 H new ATOM 0 HA LEU A 146 2.137 30.454 -3.152 1.00 35.40 H new ATOM 0 HB2 LEU A 146 2.780 31.956 -5.735 1.00 12.25 H new ATOM 0 HB3 LEU A 146 1.583 32.444 -4.552 1.00 12.25 H new ATOM 0 HG LEU A 146 4.595 32.346 -4.122 1.00 73.52 H new ATOM 0 HD11 LEU A 146 4.435 34.819 -3.957 1.00 13.44 H new ATOM 0 HD12 LEU A 146 3.921 34.219 -5.551 1.00 13.44 H new ATOM 0 HD13 LEU A 146 2.703 34.723 -4.356 1.00 13.44 H new ATOM 0 HD21 LEU A 146 4.172 33.413 -1.925 1.00 40.22 H new ATOM 0 HD22 LEU A 146 2.421 33.223 -2.180 1.00 40.22 H new ATOM 0 HD23 LEU A 146 3.459 31.785 -2.030 1.00 40.22 H new ATOM 807 N CYS A 147 0.038 29.973 -4.554 1.00 75.54 N ATOM 808 CA CYS A 147 -1.157 29.553 -5.285 1.00 13.04 C ATOM 809 C CYS A 147 -1.348 30.486 -6.488 1.00 4.54 C ATOM 810 O CYS A 147 -1.616 31.677 -6.303 1.00 72.35 O ATOM 811 CB CYS A 147 -2.367 29.600 -4.339 1.00 53.24 C ATOM 812 SG CYS A 147 -3.976 29.193 -5.092 1.00 2.34 S ATOM 0 H CYS A 147 -0.164 30.416 -3.658 1.00 75.54 H new ATOM 0 HA CYS A 147 -1.052 28.532 -5.651 1.00 13.04 H new ATOM 0 HB2 CYS A 147 -2.187 28.910 -3.515 1.00 53.24 H new ATOM 0 HB3 CYS A 147 -2.430 30.600 -3.909 1.00 53.24 H new ATOM 0 HG CYS A 147 -4.439 28.100 -4.562 1.00 2.34 H new ATOM 817 N ASP A 148 -1.207 29.922 -7.702 1.00 72.42 N ATOM 818 CA ASP A 148 -1.160 30.686 -8.972 1.00 20.21 C ATOM 819 C ASP A 148 -2.425 31.529 -9.183 1.00 73.31 C ATOM 820 O ASP A 148 -2.351 32.712 -9.530 1.00 14.45 O ATOM 821 CB ASP A 148 -0.959 29.722 -10.168 1.00 33.52 C ATOM 822 CG ASP A 148 0.357 28.933 -10.089 1.00 21.54 C ATOM 823 OD1 ASP A 148 0.358 27.799 -9.556 1.00 63.55 O ATOM 824 OD2 ASP A 148 1.399 29.441 -10.553 1.00 54.41 O ATOM 0 H ASP A 148 -1.121 28.914 -7.835 1.00 72.42 H new ATOM 0 HA ASP A 148 -0.314 31.371 -8.910 1.00 20.21 H new ATOM 0 HB2 ASP A 148 -1.794 29.022 -10.208 1.00 33.52 H new ATOM 0 HB3 ASP A 148 -0.978 30.294 -11.096 1.00 33.52 H new ATOM 829 N LYS A 149 -3.581 30.906 -8.937 1.00 43.04 N ATOM 830 CA LYS A 149 -4.889 31.540 -9.129 1.00 22.43 C ATOM 831 C LYS A 149 -5.169 32.600 -8.047 1.00 62.30 C ATOM 832 O LYS A 149 -5.654 33.687 -8.355 1.00 43.42 O ATOM 833 CB LYS A 149 -5.998 30.455 -9.165 1.00 23.43 C ATOM 834 CG LYS A 149 -5.946 29.471 -10.375 1.00 72.44 C ATOM 835 CD LYS A 149 -6.530 30.042 -11.711 1.00 23.30 C ATOM 836 CE LYS A 149 -5.617 31.054 -12.440 1.00 53.14 C ATOM 837 NZ LYS A 149 -6.206 31.525 -13.724 1.00 24.22 N ATOM 0 H LYS A 149 -3.637 29.945 -8.598 1.00 43.04 H new ATOM 0 HA LYS A 149 -4.884 32.063 -10.085 1.00 22.43 H new ATOM 0 HB2 LYS A 149 -5.941 29.873 -8.245 1.00 23.43 H new ATOM 0 HB3 LYS A 149 -6.968 30.953 -9.167 1.00 23.43 H new ATOM 0 HG2 LYS A 149 -4.909 29.179 -10.543 1.00 72.44 H new ATOM 0 HG3 LYS A 149 -6.494 28.566 -10.113 1.00 72.44 H new ATOM 0 HD2 LYS A 149 -6.737 29.211 -12.385 1.00 23.30 H new ATOM 0 HD3 LYS A 149 -7.484 30.524 -11.497 1.00 23.30 H new ATOM 0 HE2 LYS A 149 -5.436 31.910 -11.790 1.00 53.14 H new ATOM 0 HE3 LYS A 149 -4.649 30.592 -12.635 1.00 53.14 H new ATOM 0 HZ1 LYS A 149 -5.558 32.201 -14.176 1.00 24.22 H new ATOM 0 HZ2 LYS A 149 -6.355 30.713 -14.356 1.00 24.22 H new ATOM 0 HZ3 LYS A 149 -7.117 31.990 -13.538 1.00 24.22 H new ATOM 851 N PHE A 150 -4.827 32.301 -6.782 1.00 40.31 N ATOM 852 CA PHE A 150 -5.103 33.230 -5.663 1.00 14.24 C ATOM 853 C PHE A 150 -4.182 34.472 -5.729 1.00 21.25 C ATOM 854 O PHE A 150 -4.547 35.546 -5.243 1.00 54.52 O ATOM 855 CB PHE A 150 -4.967 32.516 -4.292 1.00 11.33 C ATOM 856 CG PHE A 150 -5.523 33.332 -3.117 1.00 42.52 C ATOM 857 CD1 PHE A 150 -4.681 34.060 -2.270 1.00 41.23 C ATOM 858 CD2 PHE A 150 -6.900 33.385 -2.879 1.00 74.41 C ATOM 859 CE1 PHE A 150 -5.196 34.807 -1.226 1.00 60.12 C ATOM 860 CE2 PHE A 150 -7.412 34.132 -1.833 1.00 23.42 C ATOM 861 CZ PHE A 150 -6.560 34.842 -1.006 1.00 64.14 C ATOM 0 H PHE A 150 -4.364 31.435 -6.507 1.00 40.31 H new ATOM 0 HA PHE A 150 -6.134 33.568 -5.764 1.00 14.24 H new ATOM 0 HB2 PHE A 150 -5.487 31.559 -4.337 1.00 11.33 H new ATOM 0 HB3 PHE A 150 -3.915 32.299 -4.107 1.00 11.33 H new ATOM 0 HD1 PHE A 150 -3.614 34.039 -2.433 1.00 41.23 H new ATOM 0 HD2 PHE A 150 -7.573 32.835 -3.520 1.00 74.41 H new ATOM 0 HE1 PHE A 150 -4.531 35.364 -0.582 1.00 60.12 H new ATOM 0 HE2 PHE A 150 -8.478 34.161 -1.662 1.00 23.42 H new ATOM 0 HZ PHE A 150 -6.961 35.423 -0.189 1.00 64.14 H new ATOM 871 N SER A 151 -2.995 34.317 -6.340 1.00 21.13 N ATOM 872 CA SER A 151 -2.013 35.407 -6.469 1.00 54.30 C ATOM 873 C SER A 151 -2.348 36.319 -7.668 1.00 54.22 C ATOM 874 O SER A 151 -2.378 37.548 -7.531 1.00 41.31 O ATOM 875 CB SER A 151 -0.585 34.825 -6.603 1.00 0.31 C ATOM 876 OG SER A 151 -0.472 33.956 -7.719 1.00 2.04 O ATOM 0 H SER A 151 -2.690 33.437 -6.756 1.00 21.13 H new ATOM 0 HA SER A 151 -2.058 36.017 -5.567 1.00 54.30 H new ATOM 0 HB2 SER A 151 0.132 35.640 -6.703 1.00 0.31 H new ATOM 0 HB3 SER A 151 -0.327 34.283 -5.693 1.00 0.31 H new ATOM 0 HG SER A 151 -0.813 33.069 -7.479 1.00 2.04 H new ATOM 882 N MET A 152 -2.604 35.705 -8.844 1.00 61.44 N ATOM 883 CA MET A 152 -2.809 36.450 -10.110 1.00 55.24 C ATOM 884 C MET A 152 -4.260 36.946 -10.259 1.00 64.11 C ATOM 885 O MET A 152 -4.488 38.145 -10.448 1.00 51.11 O ATOM 886 CB MET A 152 -2.404 35.579 -11.336 1.00 15.11 C ATOM 887 CG MET A 152 -0.903 35.255 -11.413 1.00 53.44 C ATOM 888 SD MET A 152 -0.438 34.370 -12.924 1.00 45.24 S ATOM 889 CE MET A 152 -1.229 32.776 -12.697 1.00 73.44 C ATOM 0 H MET A 152 -2.674 34.692 -8.945 1.00 61.44 H new ATOM 0 HA MET A 152 -2.164 37.328 -10.074 1.00 55.24 H new ATOM 0 HB2 MET A 152 -2.964 34.645 -11.304 1.00 15.11 H new ATOM 0 HB3 MET A 152 -2.699 36.097 -12.248 1.00 15.11 H new ATOM 0 HG2 MET A 152 -0.334 36.183 -11.354 1.00 53.44 H new ATOM 0 HG3 MET A 152 -0.623 34.654 -10.548 1.00 53.44 H new ATOM 0 HE1 MET A 152 -0.813 32.059 -13.405 1.00 73.44 H new ATOM 0 HE2 MET A 152 -1.054 32.424 -11.680 1.00 73.44 H new ATOM 0 HE3 MET A 152 -2.301 32.874 -12.867 1.00 73.44 H new ATOM 899 N THR A 153 -5.238 36.029 -10.147 1.00 50.30 N ATOM 900 CA THR A 153 -6.669 36.352 -10.369 1.00 65.22 C ATOM 901 C THR A 153 -7.404 36.624 -9.039 1.00 3.52 C ATOM 902 O THR A 153 -8.567 37.048 -9.045 1.00 34.24 O ATOM 903 CB THR A 153 -7.385 35.208 -11.172 1.00 53.43 C ATOM 904 OG1 THR A 153 -7.259 33.957 -10.479 1.00 65.20 O ATOM 905 CG2 THR A 153 -6.807 35.054 -12.591 1.00 41.44 C ATOM 0 H THR A 153 -5.068 35.053 -9.903 1.00 50.30 H new ATOM 0 HA THR A 153 -6.707 37.266 -10.962 1.00 65.22 H new ATOM 0 HB THR A 153 -8.436 35.486 -11.255 1.00 53.43 H new ATOM 0 HG1 THR A 153 -6.759 34.093 -9.647 1.00 65.20 H new ATOM 0 HG21 THR A 153 -7.330 34.252 -13.112 1.00 41.44 H new ATOM 0 HG22 THR A 153 -6.935 35.987 -13.139 1.00 41.44 H new ATOM 0 HG23 THR A 153 -5.746 34.813 -12.527 1.00 41.44 H new ATOM 913 N GLY A 154 -6.720 36.365 -7.902 1.00 62.32 N ATOM 914 CA GLY A 154 -7.248 36.689 -6.566 1.00 74.44 C ATOM 915 C GLY A 154 -8.241 35.666 -6.027 1.00 71.42 C ATOM 916 O GLY A 154 -8.746 35.818 -4.908 1.00 30.31 O ATOM 0 H GLY A 154 -5.797 35.930 -7.888 1.00 62.32 H new ATOM 0 HA2 GLY A 154 -6.415 36.774 -5.868 1.00 74.44 H new ATOM 0 HA3 GLY A 154 -7.732 37.665 -6.605 1.00 74.44 H new ATOM 920 N ASN A 155 -8.520 34.618 -6.823 1.00 73.34 N ATOM 921 CA ASN A 155 -9.525 33.589 -6.496 1.00 3.01 C ATOM 922 C ASN A 155 -8.934 32.205 -6.783 1.00 42.34 C ATOM 923 O ASN A 155 -8.472 31.963 -7.897 1.00 0.14 O ATOM 924 CB ASN A 155 -10.818 33.790 -7.346 1.00 25.51 C ATOM 925 CG ASN A 155 -11.528 35.124 -7.088 1.00 22.13 C ATOM 926 OD1 ASN A 155 -12.404 35.221 -6.231 1.00 70.13 O ATOM 927 ND2 ASN A 155 -11.148 36.164 -7.820 1.00 2.43 N ATOM 0 H ASN A 155 -8.053 34.460 -7.716 1.00 73.34 H new ATOM 0 HA ASN A 155 -9.789 33.674 -5.442 1.00 3.01 H new ATOM 0 HB2 ASN A 155 -10.560 33.725 -8.403 1.00 25.51 H new ATOM 0 HB3 ASN A 155 -11.510 32.974 -7.136 1.00 25.51 H new ATOM 0 HD21 ASN A 155 -11.586 37.074 -7.679 1.00 2.43 H new ATOM 0 HD22 ASN A 155 -10.418 36.053 -8.524 1.00 2.43 H new ATOM 934 N CYS A 156 -8.952 31.309 -5.779 1.00 20.41 N ATOM 935 CA CYS A 156 -8.494 29.915 -5.927 1.00 33.24 C ATOM 936 C CYS A 156 -9.716 28.981 -5.946 1.00 40.30 C ATOM 937 O CYS A 156 -10.496 28.961 -4.987 1.00 51.43 O ATOM 938 CB CYS A 156 -7.542 29.543 -4.769 1.00 71.54 C ATOM 939 SG CYS A 156 -6.865 27.849 -4.848 1.00 71.32 S ATOM 0 H CYS A 156 -9.285 31.532 -4.841 1.00 20.41 H new ATOM 0 HA CYS A 156 -7.948 29.806 -6.864 1.00 33.24 H new ATOM 0 HB2 CYS A 156 -6.713 30.250 -4.758 1.00 71.54 H new ATOM 0 HB3 CYS A 156 -8.076 29.662 -3.826 1.00 71.54 H new ATOM 0 HG CYS A 156 -5.779 27.849 -5.562 1.00 71.32 H new ATOM 944 N LYS A 157 -9.860 28.209 -7.036 1.00 74.53 N ATOM 945 CA LYS A 157 -11.025 27.321 -7.272 1.00 23.12 C ATOM 946 C LYS A 157 -11.008 26.079 -6.357 1.00 12.13 C ATOM 947 O LYS A 157 -12.057 25.475 -6.101 1.00 4.30 O ATOM 948 CB LYS A 157 -11.066 26.902 -8.770 1.00 44.44 C ATOM 949 CG LYS A 157 -9.810 26.147 -9.268 1.00 43.30 C ATOM 950 CD LYS A 157 -9.774 25.908 -10.803 1.00 50.35 C ATOM 951 CE LYS A 157 -10.875 24.958 -11.334 1.00 71.14 C ATOM 952 NZ LYS A 157 -12.231 25.575 -11.358 1.00 23.43 N ATOM 0 H LYS A 157 -9.170 28.179 -7.787 1.00 74.53 H new ATOM 0 HA LYS A 157 -11.928 27.879 -7.025 1.00 23.12 H new ATOM 0 HB2 LYS A 157 -11.940 26.271 -8.932 1.00 44.44 H new ATOM 0 HB3 LYS A 157 -11.201 27.796 -9.379 1.00 44.44 H new ATOM 0 HG2 LYS A 157 -8.923 26.711 -8.979 1.00 43.30 H new ATOM 0 HG3 LYS A 157 -9.755 25.184 -8.761 1.00 43.30 H new ATOM 0 HD2 LYS A 157 -9.867 26.869 -11.309 1.00 50.35 H new ATOM 0 HD3 LYS A 157 -8.800 25.499 -11.071 1.00 50.35 H new ATOM 0 HE2 LYS A 157 -10.612 24.638 -12.342 1.00 71.14 H new ATOM 0 HE3 LYS A 157 -10.903 24.063 -10.712 1.00 71.14 H new ATOM 0 HZ1 LYS A 157 -12.811 25.168 -10.597 1.00 23.43 H new ATOM 0 HZ2 LYS A 157 -12.148 26.602 -11.218 1.00 23.43 H new ATOM 0 HZ3 LYS A 157 -12.682 25.386 -12.276 1.00 23.43 H new ATOM 966 N TYR A 158 -9.808 25.710 -5.870 1.00 34.43 N ATOM 967 CA TYR A 158 -9.618 24.543 -4.986 1.00 24.43 C ATOM 968 C TYR A 158 -10.017 24.881 -3.534 1.00 3.42 C ATOM 969 O TYR A 158 -10.507 24.015 -2.802 1.00 62.33 O ATOM 970 CB TYR A 158 -8.150 24.056 -5.054 1.00 25.40 C ATOM 971 CG TYR A 158 -7.669 23.725 -6.479 1.00 32.13 C ATOM 972 CD1 TYR A 158 -7.973 22.500 -7.080 1.00 2.34 C ATOM 973 CD2 TYR A 158 -6.925 24.645 -7.228 1.00 0.31 C ATOM 974 CE1 TYR A 158 -7.553 22.205 -8.367 1.00 21.02 C ATOM 975 CE2 TYR A 158 -6.503 24.352 -8.512 1.00 21.22 C ATOM 976 CZ TYR A 158 -6.819 23.135 -9.078 1.00 54.33 C ATOM 977 OH TYR A 158 -6.401 22.849 -10.362 1.00 71.12 O ATOM 0 H TYR A 158 -8.944 26.211 -6.078 1.00 34.43 H new ATOM 0 HA TYR A 158 -10.267 23.738 -5.331 1.00 24.43 H new ATOM 0 HB2 TYR A 158 -7.502 24.824 -4.632 1.00 25.40 H new ATOM 0 HB3 TYR A 158 -8.042 23.169 -4.429 1.00 25.40 H new ATOM 0 HD1 TYR A 158 -8.547 21.769 -6.530 1.00 2.34 H new ATOM 0 HD2 TYR A 158 -6.676 25.602 -6.794 1.00 0.31 H new ATOM 0 HE1 TYR A 158 -7.798 21.252 -8.813 1.00 21.02 H new ATOM 0 HE2 TYR A 158 -5.927 25.075 -9.070 1.00 21.22 H new ATOM 0 HH TYR A 158 -5.898 23.610 -10.719 1.00 71.12 H new ATOM 987 N GLY A 159 -9.796 26.152 -3.139 1.00 22.22 N ATOM 988 CA GLY A 159 -10.161 26.645 -1.806 1.00 14.43 C ATOM 989 C GLY A 159 -9.399 25.954 -0.675 1.00 33.45 C ATOM 990 O GLY A 159 -8.185 26.143 -0.539 1.00 72.13 O ATOM 0 H GLY A 159 -9.362 26.857 -3.735 1.00 22.22 H new ATOM 0 HA2 GLY A 159 -9.973 27.718 -1.759 1.00 14.43 H new ATOM 0 HA3 GLY A 159 -11.231 26.502 -1.654 1.00 14.43 H new ATOM 994 N THR A 160 -10.114 25.116 0.107 1.00 73.14 N ATOM 995 CA THR A 160 -9.537 24.372 1.249 1.00 70.11 C ATOM 996 C THR A 160 -8.635 23.221 0.760 1.00 44.23 C ATOM 997 O THR A 160 -7.717 22.792 1.472 1.00 61.45 O ATOM 998 CB THR A 160 -10.662 23.794 2.179 1.00 61.32 C ATOM 999 OG1 THR A 160 -11.514 22.906 1.433 1.00 73.14 O ATOM 1000 CG2 THR A 160 -11.518 24.908 2.805 1.00 75.23 C ATOM 0 H THR A 160 -11.108 24.936 -0.035 1.00 73.14 H new ATOM 0 HA THR A 160 -8.935 25.078 1.822 1.00 70.11 H new ATOM 0 HB THR A 160 -10.168 23.250 2.984 1.00 61.32 H new ATOM 0 HG1 THR A 160 -12.211 22.550 2.022 1.00 73.14 H new ATOM 0 HG21 THR A 160 -12.284 24.464 3.441 1.00 75.23 H new ATOM 0 HG22 THR A 160 -10.883 25.562 3.403 1.00 75.23 H new ATOM 0 HG23 THR A 160 -11.994 25.489 2.015 1.00 75.23 H new ATOM 1008 N ARG A 161 -8.917 22.739 -0.468 1.00 21.50 N ATOM 1009 CA ARG A 161 -8.156 21.647 -1.106 1.00 75.23 C ATOM 1010 C ARG A 161 -6.769 22.142 -1.572 1.00 41.33 C ATOM 1011 O ARG A 161 -5.845 21.339 -1.742 1.00 71.03 O ATOM 1012 CB ARG A 161 -8.959 21.073 -2.306 1.00 23.14 C ATOM 1013 CG ARG A 161 -10.390 20.614 -1.945 1.00 5.33 C ATOM 1014 CD ARG A 161 -11.156 20.026 -3.145 1.00 23.22 C ATOM 1015 NE ARG A 161 -11.257 20.969 -4.281 1.00 54.54 N ATOM 1016 CZ ARG A 161 -12.310 21.774 -4.549 1.00 14.34 C ATOM 1017 NH1 ARG A 161 -13.389 21.786 -3.769 1.00 41.35 N ATOM 1018 NH2 ARG A 161 -12.282 22.550 -5.620 1.00 54.32 N ATOM 0 H ARG A 161 -9.679 23.096 -1.044 1.00 21.50 H new ATOM 0 HA ARG A 161 -8.002 20.856 -0.372 1.00 75.23 H new ATOM 0 HB2 ARG A 161 -9.018 21.832 -3.086 1.00 23.14 H new ATOM 0 HB3 ARG A 161 -8.412 20.228 -2.724 1.00 23.14 H new ATOM 0 HG2 ARG A 161 -10.337 19.866 -1.154 1.00 5.33 H new ATOM 0 HG3 ARG A 161 -10.947 21.461 -1.546 1.00 5.33 H new ATOM 0 HD2 ARG A 161 -10.657 19.116 -3.478 1.00 23.22 H new ATOM 0 HD3 ARG A 161 -12.158 19.741 -2.826 1.00 23.22 H new ATOM 0 HE ARG A 161 -10.462 21.016 -4.918 1.00 54.54 H new ATOM 0 HH11 ARG A 161 -13.433 21.180 -2.950 1.00 41.35 H new ATOM 0 HH12 ARG A 161 -14.172 22.402 -3.991 1.00 41.35 H new ATOM 0 HH21 ARG A 161 -11.470 22.538 -6.237 1.00 54.32 H new ATOM 0 HH22 ARG A 161 -13.073 23.160 -5.829 1.00 54.32 H new ATOM 1032 N CYS A 162 -6.637 23.471 -1.752 1.00 35.14 N ATOM 1033 CA CYS A 162 -5.398 24.108 -2.219 1.00 31.22 C ATOM 1034 C CYS A 162 -4.316 24.071 -1.121 1.00 40.31 C ATOM 1035 O CYS A 162 -4.494 24.637 -0.035 1.00 35.13 O ATOM 1036 CB CYS A 162 -5.683 25.557 -2.649 1.00 45.31 C ATOM 1037 SG CYS A 162 -4.265 26.426 -3.388 1.00 31.34 S ATOM 0 H CYS A 162 -7.393 24.133 -1.576 1.00 35.14 H new ATOM 0 HA CYS A 162 -5.023 23.553 -3.079 1.00 31.22 H new ATOM 0 HB2 CYS A 162 -6.503 25.554 -3.367 1.00 45.31 H new ATOM 0 HB3 CYS A 162 -6.023 26.119 -1.779 1.00 45.31 H new ATOM 0 HG CYS A 162 -4.169 27.616 -2.873 1.00 31.34 H new ATOM 1042 N GLN A 163 -3.205 23.393 -1.427 1.00 42.45 N ATOM 1043 CA GLN A 163 -2.080 23.185 -0.498 1.00 42.24 C ATOM 1044 C GLN A 163 -1.023 24.295 -0.661 1.00 2.30 C ATOM 1045 O GLN A 163 -0.233 24.539 0.254 1.00 3.22 O ATOM 1046 CB GLN A 163 -1.443 21.775 -0.717 1.00 22.11 C ATOM 1047 CG GLN A 163 -0.877 21.485 -2.144 1.00 14.24 C ATOM 1048 CD GLN A 163 -1.884 20.898 -3.154 1.00 3.01 C ATOM 1049 OE1 GLN A 163 -3.088 21.139 -3.088 1.00 62.12 O ATOM 1050 NE2 GLN A 163 -1.388 20.122 -4.106 1.00 60.43 N ATOM 0 H GLN A 163 -3.056 22.965 -2.341 1.00 42.45 H new ATOM 0 HA GLN A 163 -2.464 23.233 0.521 1.00 42.24 H new ATOM 0 HB2 GLN A 163 -0.635 21.649 0.004 1.00 22.11 H new ATOM 0 HB3 GLN A 163 -2.195 21.020 -0.487 1.00 22.11 H new ATOM 0 HG2 GLN A 163 -0.479 22.414 -2.553 1.00 14.24 H new ATOM 0 HG3 GLN A 163 -0.040 20.794 -2.050 1.00 14.24 H new ATOM 0 HE21 GLN A 163 -0.386 19.936 -4.142 1.00 60.43 H new ATOM 0 HE22 GLN A 163 -2.008 19.711 -4.804 1.00 60.43 H new ATOM 1059 N PHE A 164 -1.029 24.965 -1.830 1.00 35.12 N ATOM 1060 CA PHE A 164 -0.081 26.050 -2.155 1.00 3.22 C ATOM 1061 C PHE A 164 -0.490 27.377 -1.480 1.00 54.44 C ATOM 1062 O PHE A 164 -1.681 27.626 -1.250 1.00 54.13 O ATOM 1063 CB PHE A 164 0.055 26.213 -3.687 1.00 72.35 C ATOM 1064 CG PHE A 164 0.717 25.012 -4.367 1.00 44.24 C ATOM 1065 CD1 PHE A 164 2.102 24.840 -4.316 1.00 73.53 C ATOM 1066 CD2 PHE A 164 -0.040 24.053 -5.042 1.00 42.13 C ATOM 1067 CE1 PHE A 164 2.706 23.754 -4.919 1.00 70.12 C ATOM 1068 CE2 PHE A 164 0.564 22.967 -5.647 1.00 23.03 C ATOM 1069 CZ PHE A 164 1.937 22.816 -5.583 1.00 13.34 C ATOM 0 H PHE A 164 -1.694 24.769 -2.578 1.00 35.12 H new ATOM 0 HA PHE A 164 0.896 25.775 -1.757 1.00 3.22 H new ATOM 0 HB2 PHE A 164 -0.934 26.366 -4.118 1.00 72.35 H new ATOM 0 HB3 PHE A 164 0.638 27.109 -3.900 1.00 72.35 H new ATOM 0 HD1 PHE A 164 2.710 25.567 -3.797 1.00 73.53 H new ATOM 0 HD2 PHE A 164 -1.113 24.161 -5.092 1.00 42.13 H new ATOM 0 HE1 PHE A 164 3.779 23.637 -4.872 1.00 70.12 H new ATOM 0 HE2 PHE A 164 -0.036 22.237 -6.169 1.00 23.03 H new ATOM 0 HZ PHE A 164 2.409 21.965 -6.052 1.00 13.34 H new ATOM 1079 N ILE A 165 0.532 28.213 -1.194 1.00 65.25 N ATOM 1080 CA ILE A 165 0.436 29.399 -0.309 1.00 64.11 C ATOM 1081 C ILE A 165 -0.662 30.399 -0.759 1.00 22.15 C ATOM 1082 O ILE A 165 -0.528 31.039 -1.811 1.00 30.03 O ATOM 1083 CB ILE A 165 1.817 30.176 -0.247 1.00 52.31 C ATOM 1084 CG1 ILE A 165 3.013 29.204 0.027 1.00 1.40 C ATOM 1085 CG2 ILE A 165 1.775 31.319 0.805 1.00 1.13 C ATOM 1086 CD1 ILE A 165 4.390 29.855 0.021 1.00 53.13 C ATOM 0 H ILE A 165 1.467 28.081 -1.579 1.00 65.25 H new ATOM 0 HA ILE A 165 0.171 29.011 0.675 1.00 64.11 H new ATOM 0 HB ILE A 165 1.978 30.628 -1.226 1.00 52.31 H new ATOM 0 HG12 ILE A 165 2.858 28.726 0.995 1.00 1.40 H new ATOM 0 HG13 ILE A 165 2.998 28.414 -0.724 1.00 1.40 H new ATOM 0 HG21 ILE A 165 2.736 31.832 0.823 1.00 1.13 H new ATOM 0 HG22 ILE A 165 0.990 32.028 0.541 1.00 1.13 H new ATOM 0 HG23 ILE A 165 1.569 30.900 1.790 1.00 1.13 H new ATOM 0 HD11 ILE A 165 5.150 29.100 0.220 1.00 53.13 H new ATOM 0 HD12 ILE A 165 4.574 30.307 -0.953 1.00 53.13 H new ATOM 0 HD13 ILE A 165 4.432 30.624 0.792 1.00 53.13 H new ATOM 1098 N HIS A 166 -1.749 30.516 0.035 1.00 31.14 N ATOM 1099 CA HIS A 166 -2.731 31.607 -0.133 1.00 24.23 C ATOM 1100 C HIS A 166 -2.231 32.867 0.591 1.00 2.33 C ATOM 1101 O HIS A 166 -2.444 33.041 1.797 1.00 71.21 O ATOM 1102 CB HIS A 166 -4.154 31.201 0.374 1.00 34.24 C ATOM 1103 CG HIS A 166 -4.863 30.188 -0.488 1.00 70.45 C ATOM 1104 ND1 HIS A 166 -6.027 29.549 -0.132 1.00 11.34 N ATOM 1105 CD2 HIS A 166 -4.584 29.768 -1.741 1.00 74.10 C ATOM 1106 CE1 HIS A 166 -6.408 28.784 -1.154 1.00 3.54 C ATOM 1107 NE2 HIS A 166 -5.557 28.881 -2.171 1.00 63.45 N ATOM 0 H HIS A 166 -1.967 29.871 0.795 1.00 31.14 H new ATOM 0 HA HIS A 166 -2.825 31.816 -1.199 1.00 24.23 H new ATOM 0 HB2 HIS A 166 -4.065 30.800 1.384 1.00 34.24 H new ATOM 0 HB3 HIS A 166 -4.771 32.097 0.440 1.00 34.24 H new ATOM 0 HD2 HIS A 166 -3.728 30.078 -2.322 1.00 74.10 H new ATOM 0 HE1 HIS A 166 -7.293 28.165 -1.156 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -5.609 28.406 -3.072 1.00 63.45 H new ATOM 1115 N LYS A 167 -1.506 33.707 -0.157 1.00 75.22 N ATOM 1116 CA LYS A 167 -1.106 35.052 0.275 1.00 42.13 C ATOM 1117 C LYS A 167 -1.658 36.080 -0.718 1.00 24.44 C ATOM 1118 O LYS A 167 -1.571 35.874 -1.940 1.00 62.31 O ATOM 1119 CB LYS A 167 0.440 35.157 0.401 1.00 71.22 C ATOM 1120 CG LYS A 167 0.950 36.561 0.820 1.00 33.44 C ATOM 1121 CD LYS A 167 2.447 36.603 1.229 1.00 35.40 C ATOM 1122 CE LYS A 167 2.734 36.019 2.632 1.00 71.43 C ATOM 1123 NZ LYS A 167 2.537 34.546 2.717 1.00 25.44 N ATOM 0 H LYS A 167 -1.176 33.469 -1.092 1.00 75.22 H new ATOM 0 HA LYS A 167 -1.521 35.256 1.262 1.00 42.13 H new ATOM 0 HB2 LYS A 167 0.784 34.425 1.131 1.00 71.22 H new ATOM 0 HB3 LYS A 167 0.890 34.890 -0.555 1.00 71.22 H new ATOM 0 HG2 LYS A 167 0.792 37.253 -0.007 1.00 33.44 H new ATOM 0 HG3 LYS A 167 0.348 36.919 1.655 1.00 33.44 H new ATOM 0 HD2 LYS A 167 3.030 36.051 0.491 1.00 35.40 H new ATOM 0 HD3 LYS A 167 2.792 37.637 1.200 1.00 35.40 H new ATOM 0 HE2 LYS A 167 3.760 36.256 2.912 1.00 71.43 H new ATOM 0 HE3 LYS A 167 2.084 36.506 3.359 1.00 71.43 H new ATOM 0 HZ1 LYS A 167 3.181 34.150 3.431 1.00 25.44 H new ATOM 0 HZ2 LYS A 167 1.553 34.342 2.987 1.00 25.44 H new ATOM 0 HZ3 LYS A 167 2.739 34.115 1.792 1.00 25.44 H new