USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 359 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 130 GLN : amide:sc= -2.3 X(o=-3.2,f=-2.8) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.897 K(o=-3.2,f=-6.4!) USER MOD Set 2.1: A 131 CYS SG : rot 1:sc= 0.269 USER MOD Set 2.2: A 136 CYS SG : rot 140:sc= 0.155 USER MOD Set 2.3: A 163 CYS SG : rot -127:sc= 0.202 USER MOD Set 2.4: A 166 CYS SG : rot 148:sc= 0.741 USER MOD Set 3.1: A 117 CYS SG : rot -86:sc= 0.375 USER MOD Set 3.2: A 119 CYS SG : rot -82:sc= -0.842 USER MOD Set 3.3: A 125 ASN : amide:sc= -3.77! C(o=-7.5!,f=-9.7!) USER MOD Set 3.4: A 128 MET CE :methyl 175:sc= -1.33 (180deg=-1.45) USER MOD Set 3.5: A 141 HIS :FLIP no HE2:sc= -1.46 F(o=-10,f=-7.5) USER MOD Set 3.6: A 144 CYS SG : rot 176:sc= -0.459 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -45:sc= 0.905 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN :FLIP amide:sc= -0.0373 F(o=-0.72,f=-0.037) USER MOD Single : A 140 GLN : amide:sc= -1.54 K(o=-1.5,f=-3.8!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 TYR OH : rot 39:sc= 0.0151 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.337 11.666 -4.325 1.00 0.00 N ATOM 94 CA GLU A 112 -1.967 10.460 -4.850 1.00 0.00 C ATOM 95 C GLU A 112 -1.010 9.273 -4.786 1.00 0.00 C ATOM 96 O GLU A 112 -1.431 8.119 -4.841 1.00 0.00 O ATOM 97 CB GLU A 112 -2.424 10.683 -6.293 1.00 0.00 C ATOM 98 CG GLU A 112 -3.858 11.175 -6.408 1.00 0.00 C ATOM 99 CD GLU A 112 -3.944 12.670 -6.643 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.238 13.422 -5.939 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.718 13.088 -7.530 1.00 0.00 O ATOM 0 HA GLU A 112 -2.836 10.237 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.761 11.407 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.324 9.749 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.353 10.653 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.399 10.923 -5.496 1.00 0.00 H new ATOM 108 N ALA A 113 0.281 9.568 -4.670 1.00 0.00 N ATOM 109 CA ALA A 113 1.299 8.527 -4.597 1.00 0.00 C ATOM 110 C ALA A 113 2.038 8.574 -3.264 1.00 0.00 C ATOM 111 O ALA A 113 3.089 9.205 -3.147 1.00 0.00 O ATOM 112 CB ALA A 113 2.279 8.665 -5.752 1.00 0.00 C ATOM 0 H ALA A 113 0.646 10.519 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 113 0.801 7.560 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.033 7.881 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.743 8.573 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.764 9.640 -5.703 1.00 0.00 H new ATOM 118 N LYS A 114 1.483 7.903 -2.260 1.00 0.00 N ATOM 119 CA LYS A 114 2.089 7.868 -0.935 1.00 0.00 C ATOM 120 C LYS A 114 2.458 6.441 -0.543 1.00 0.00 C ATOM 121 O LYS A 114 1.586 5.613 -0.280 1.00 0.00 O ATOM 122 CB LYS A 114 1.132 8.461 0.102 1.00 0.00 C ATOM 123 CG LYS A 114 1.581 8.246 1.537 1.00 0.00 C ATOM 124 CD LYS A 114 0.639 8.916 2.523 1.00 0.00 C ATOM 125 CE LYS A 114 -0.297 7.909 3.172 1.00 0.00 C ATOM 126 NZ LYS A 114 -0.537 8.219 4.609 1.00 0.00 N ATOM 0 H LYS A 114 0.614 7.376 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 114 3.000 8.466 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.029 9.531 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.145 8.018 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.630 7.178 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.588 8.643 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.219 9.425 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.054 9.679 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.248 7.901 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.127 6.909 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.180 7.509 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.367 8.202 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.966 9.163 4.694 1.00 0.00 H new ATOM 140 N VAL A 115 3.757 6.159 -0.506 1.00 0.00 N ATOM 141 CA VAL A 115 4.241 4.833 -0.144 1.00 0.00 C ATOM 142 C VAL A 115 4.271 4.652 1.370 1.00 0.00 C ATOM 143 O VAL A 115 5.111 5.232 2.058 1.00 0.00 O ATOM 144 CB VAL A 115 5.652 4.577 -0.708 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.053 3.124 -0.505 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.713 4.955 -2.180 1.00 0.00 C ATOM 0 H VAL A 115 4.492 6.832 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 115 3.547 4.114 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 115 6.361 5.203 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.052 2.962 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.051 2.891 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.344 2.476 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.716 4.768 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.994 4.356 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.472 6.012 -2.295 1.00 0.00 H new ATOM 156 N ARG A 116 3.348 3.845 1.882 1.00 0.00 N ATOM 157 CA ARG A 116 3.268 3.588 3.315 1.00 0.00 C ATOM 158 C ARG A 116 3.262 2.089 3.599 1.00 0.00 C ATOM 159 O ARG A 116 2.207 1.455 3.628 1.00 0.00 O ATOM 160 CB ARG A 116 2.010 4.234 3.900 1.00 0.00 C ATOM 161 CG ARG A 116 2.298 5.439 4.781 1.00 0.00 C ATOM 162 CD ARG A 116 2.545 5.028 6.224 1.00 0.00 C ATOM 163 NE ARG A 116 3.127 6.112 7.010 1.00 0.00 N ATOM 164 CZ ARG A 116 4.410 6.452 6.956 1.00 0.00 C ATOM 165 NH1 ARG A 116 5.240 5.796 6.158 1.00 0.00 N ATOM 166 NH2 ARG A 116 4.865 7.451 7.702 1.00 0.00 N ATOM 0 H ARG A 116 2.645 3.358 1.326 1.00 0.00 H new ATOM 0 HA ARG A 116 4.147 4.026 3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.355 4.539 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.467 3.490 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.169 5.971 4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.458 6.132 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.605 4.716 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.212 4.166 6.246 1.00 0.00 H new ATOM 0 HE ARG A 116 2.515 6.637 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.894 5.028 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 116 6.225 6.059 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 116 4.229 7.958 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 116 5.850 7.711 7.660 1.00 0.00 H new ATOM 180 N CYS A 117 4.448 1.528 3.809 1.00 0.00 N ATOM 181 CA CYS A 117 4.582 0.103 4.090 1.00 0.00 C ATOM 182 C CYS A 117 5.015 -0.128 5.535 1.00 0.00 C ATOM 183 O CYS A 117 5.596 0.754 6.168 1.00 0.00 O ATOM 184 CB CYS A 117 5.593 -0.534 3.135 1.00 0.00 C ATOM 185 SG CYS A 117 5.532 -2.354 3.093 1.00 0.00 S ATOM 0 H CYS A 117 5.331 2.039 3.790 1.00 0.00 H new ATOM 0 HA CYS A 117 3.608 -0.364 3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.417 -0.152 2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.596 -0.221 3.424 1.00 0.00 H new ATOM 0 HG CYS A 117 6.278 -2.835 4.043 1.00 0.00 H new ATOM 190 N ILE A 118 4.728 -1.318 6.049 1.00 0.00 N ATOM 191 CA ILE A 118 5.089 -1.666 7.418 1.00 0.00 C ATOM 192 C ILE A 118 6.595 -1.562 7.633 1.00 0.00 C ATOM 193 O ILE A 118 7.063 -1.416 8.762 1.00 0.00 O ATOM 194 CB ILE A 118 4.627 -3.090 7.778 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.159 -4.096 6.755 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.109 -3.152 7.851 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.193 -5.519 7.268 1.00 0.00 C ATOM 0 H ILE A 118 4.246 -2.058 5.539 1.00 0.00 H new ATOM 0 HA ILE A 118 4.582 -0.954 8.068 1.00 0.00 H new ATOM 0 HB ILE A 118 5.029 -3.350 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.537 -4.056 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.165 -3.802 6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.798 -4.165 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.753 -2.460 8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.687 -2.876 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.581 -6.177 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.838 -5.574 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.185 -5.832 7.539 1.00 0.00 H new ATOM 209 N CYS A 119 7.349 -1.637 6.541 1.00 0.00 N ATOM 210 CA CYS A 119 8.803 -1.550 6.608 1.00 0.00 C ATOM 211 C CYS A 119 9.260 -0.095 6.645 1.00 0.00 C ATOM 212 O CYS A 119 10.450 0.190 6.777 1.00 0.00 O ATOM 213 CB CYS A 119 9.433 -2.264 5.411 1.00 0.00 C ATOM 214 SG CYS A 119 9.044 -1.502 3.802 1.00 0.00 S ATOM 0 H CYS A 119 6.977 -1.758 5.599 1.00 0.00 H new ATOM 0 HA CYS A 119 9.129 -2.038 7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.515 -2.282 5.540 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.096 -3.301 5.401 1.00 0.00 H new ATOM 0 HG CYS A 119 7.873 -1.902 3.404 1.00 0.00 H new ATOM 219 N SER A 120 8.305 0.822 6.527 1.00 0.00 N ATOM 220 CA SER A 120 8.609 2.248 6.543 1.00 0.00 C ATOM 221 C SER A 120 9.674 2.589 5.505 1.00 0.00 C ATOM 222 O SER A 120 10.545 3.424 5.744 1.00 0.00 O ATOM 223 CB SER A 120 9.083 2.675 7.934 1.00 0.00 C ATOM 224 OG SER A 120 10.461 2.396 8.111 1.00 0.00 O ATOM 0 H SER A 120 7.315 0.603 6.419 1.00 0.00 H new ATOM 0 HA SER A 120 7.697 2.791 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.904 3.741 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.502 2.154 8.695 1.00 0.00 H new ATOM 0 HG SER A 120 10.656 1.491 7.788 1.00 0.00 H new ATOM 230 N SER A 121 9.595 1.934 4.350 1.00 0.00 N ATOM 231 CA SER A 121 10.554 2.163 3.275 1.00 0.00 C ATOM 232 C SER A 121 9.837 2.513 1.974 1.00 0.00 C ATOM 233 O SER A 121 9.104 1.696 1.416 1.00 0.00 O ATOM 234 CB SER A 121 11.429 0.926 3.072 1.00 0.00 C ATOM 235 OG SER A 121 12.605 1.246 2.347 1.00 0.00 O ATOM 0 H SER A 121 8.878 1.241 4.135 1.00 0.00 H new ATOM 0 HA SER A 121 11.187 3.004 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.698 0.504 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.865 0.162 2.537 1.00 0.00 H new ATOM 0 HG SER A 121 13.148 0.439 2.232 1.00 0.00 H new ATOM 241 N THR A 122 10.055 3.734 1.496 1.00 0.00 N ATOM 242 CA THR A 122 9.430 4.194 0.262 1.00 0.00 C ATOM 243 C THR A 122 10.351 3.978 -0.934 1.00 0.00 C ATOM 244 O THR A 122 10.319 4.740 -1.899 1.00 0.00 O ATOM 245 CB THR A 122 9.057 5.686 0.344 1.00 0.00 C ATOM 246 OG1 THR A 122 10.243 6.485 0.427 1.00 0.00 O ATOM 247 CG2 THR A 122 8.172 5.957 1.552 1.00 0.00 C ATOM 0 H THR A 122 10.660 4.422 1.945 1.00 0.00 H new ATOM 0 HA THR A 122 8.522 3.606 0.129 1.00 0.00 H new ATOM 0 HB THR A 122 8.505 5.949 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 122 9.996 7.432 0.477 1.00 0.00 H new ATOM 0 HG21 THR A 122 7.922 7.017 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.257 5.371 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.703 5.678 2.462 1.00 0.00 H new ATOM 255 N MET A 123 11.169 2.933 -0.863 1.00 0.00 N ATOM 256 CA MET A 123 12.096 2.615 -1.943 1.00 0.00 C ATOM 257 C MET A 123 11.424 1.745 -3.000 1.00 0.00 C ATOM 258 O MET A 123 10.245 1.408 -2.883 1.00 0.00 O ATOM 259 CB MET A 123 13.331 1.902 -1.389 1.00 0.00 C ATOM 260 CG MET A 123 14.610 2.715 -1.512 1.00 0.00 C ATOM 261 SD MET A 123 16.094 1.701 -1.382 1.00 0.00 S ATOM 262 CE MET A 123 16.364 1.274 -3.101 1.00 0.00 C ATOM 0 H MET A 123 11.209 2.293 -0.070 1.00 0.00 H new ATOM 0 HA MET A 123 12.403 3.550 -2.411 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.162 1.663 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.460 0.956 -1.914 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.614 3.236 -2.469 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.627 3.478 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.251 0.646 -3.185 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.498 0.732 -3.482 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.508 2.184 -3.684 1.00 0.00 H new ATOM 272 N VAL A 124 12.180 1.384 -4.032 1.00 0.00 N ATOM 273 CA VAL A 124 11.657 0.553 -5.109 1.00 0.00 C ATOM 274 C VAL A 124 11.891 -0.927 -4.825 1.00 0.00 C ATOM 275 O VAL A 124 12.897 -1.498 -5.243 1.00 0.00 O ATOM 276 CB VAL A 124 12.302 0.913 -6.460 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.609 0.177 -7.596 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.262 2.417 -6.685 1.00 0.00 C ATOM 0 H VAL A 124 13.157 1.654 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 124 10.585 0.745 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 124 13.346 0.599 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.079 0.444 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.695 -0.898 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.556 0.457 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.722 2.654 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.227 2.757 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.809 2.919 -5.887 1.00 0.00 H new ATOM 288 N ASN A 125 10.954 -1.542 -4.110 1.00 0.00 N ATOM 289 CA ASN A 125 11.059 -2.956 -3.769 1.00 0.00 C ATOM 290 C ASN A 125 10.897 -3.828 -5.011 1.00 0.00 C ATOM 291 O ASN A 125 10.907 -3.331 -6.137 1.00 0.00 O ATOM 292 CB ASN A 125 10.002 -3.331 -2.728 1.00 0.00 C ATOM 293 CG ASN A 125 8.632 -3.541 -3.344 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.058 -2.626 -3.935 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.102 -4.751 -3.209 1.00 0.00 N ATOM 0 H ASN A 125 10.114 -1.084 -3.756 1.00 0.00 H new ATOM 0 HA ASN A 125 12.050 -3.131 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.310 -4.242 -2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.942 -2.545 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.183 -4.952 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.614 -5.479 -2.711 1.00 0.00 H new ATOM 302 N ASP A 126 10.748 -5.131 -4.797 1.00 0.00 N ATOM 303 CA ASP A 126 10.582 -6.073 -5.897 1.00 0.00 C ATOM 304 C ASP A 126 9.359 -5.718 -6.737 1.00 0.00 C ATOM 305 O ASP A 126 9.377 -5.841 -7.961 1.00 0.00 O ATOM 306 CB ASP A 126 10.452 -7.499 -5.361 1.00 0.00 C ATOM 307 CG ASP A 126 11.691 -8.332 -5.624 1.00 0.00 C ATOM 308 OD1 ASP A 126 11.841 -8.829 -6.760 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.511 -8.487 -4.694 1.00 0.00 O ATOM 0 H ASP A 126 10.739 -5.559 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 126 11.466 -6.012 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.262 -7.465 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.590 -7.980 -5.822 1.00 0.00 H new ATOM 314 N SER A 127 8.297 -5.278 -6.069 1.00 0.00 N ATOM 315 CA SER A 127 7.062 -4.910 -6.753 1.00 0.00 C ATOM 316 C SER A 127 6.162 -4.083 -5.841 1.00 0.00 C ATOM 317 O SER A 127 5.832 -4.500 -4.731 1.00 0.00 O ATOM 318 CB SER A 127 6.320 -6.164 -7.220 1.00 0.00 C ATOM 319 OG SER A 127 5.494 -5.881 -8.336 1.00 0.00 O ATOM 0 H SER A 127 8.267 -5.168 -5.055 1.00 0.00 H new ATOM 0 HA SER A 127 7.323 -4.306 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.039 -6.939 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.713 -6.556 -6.404 1.00 0.00 H new ATOM 0 HG SER A 127 5.032 -6.698 -8.617 1.00 0.00 H new ATOM 325 N MET A 128 5.768 -2.906 -6.317 1.00 0.00 N ATOM 326 CA MET A 128 4.905 -2.020 -5.546 1.00 0.00 C ATOM 327 C MET A 128 3.459 -2.118 -6.022 1.00 0.00 C ATOM 328 O MET A 128 3.194 -2.558 -7.142 1.00 0.00 O ATOM 329 CB MET A 128 5.393 -0.574 -5.657 1.00 0.00 C ATOM 330 CG MET A 128 6.841 -0.454 -6.104 1.00 0.00 C ATOM 331 SD MET A 128 7.573 1.136 -5.669 1.00 0.00 S ATOM 332 CE MET A 128 7.473 1.077 -3.882 1.00 0.00 C ATOM 0 H MET A 128 6.033 -2.544 -7.233 1.00 0.00 H new ATOM 0 HA MET A 128 4.947 -2.332 -4.502 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.758 -0.038 -6.362 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.278 -0.085 -4.690 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.425 -1.255 -5.650 1.00 0.00 H new ATOM 0 HG3 MET A 128 6.896 -0.592 -7.184 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.968 1.952 -3.461 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.427 1.069 -3.576 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.964 0.174 -3.520 1.00 0.00 H new ATOM 342 N ILE A 129 2.529 -1.708 -5.167 1.00 0.00 N ATOM 343 CA ILE A 129 1.111 -1.750 -5.501 1.00 0.00 C ATOM 344 C ILE A 129 0.345 -0.643 -4.786 1.00 0.00 C ATOM 345 O ILE A 129 0.532 -0.417 -3.591 1.00 0.00 O ATOM 346 CB ILE A 129 0.487 -3.110 -5.136 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.019 -3.093 -5.406 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.766 -3.447 -3.679 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.669 -4.454 -5.292 1.00 0.00 C ATOM 0 H ILE A 129 2.732 -1.342 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 129 1.036 -1.603 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 129 0.940 -3.881 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.498 -2.411 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.196 -2.697 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.319 -4.411 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.843 -3.496 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.337 -2.676 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.736 -4.366 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.217 -5.135 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.523 -4.844 -4.284 1.00 0.00 H new ATOM 361 N GLN A 130 -0.520 0.044 -5.526 1.00 0.00 N ATOM 362 CA GLN A 130 -1.317 1.127 -4.962 1.00 0.00 C ATOM 363 C GLN A 130 -2.614 0.594 -4.363 1.00 0.00 C ATOM 364 O GLN A 130 -3.212 -0.347 -4.888 1.00 0.00 O ATOM 365 CB GLN A 130 -1.628 2.172 -6.035 1.00 0.00 C ATOM 366 CG GLN A 130 -2.571 3.266 -5.563 1.00 0.00 C ATOM 367 CD GLN A 130 -2.294 4.601 -6.226 1.00 0.00 C ATOM 368 OE1 GLN A 130 -1.876 4.659 -7.383 1.00 0.00 O ATOM 369 NE2 GLN A 130 -2.525 5.685 -5.494 1.00 0.00 N ATOM 0 H GLN A 130 -0.687 -0.130 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.737 1.595 -4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.695 2.627 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.067 1.674 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.599 2.968 -5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.482 3.376 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.871 5.591 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.356 6.611 -5.887 1.00 0.00 H new ATOM 378 N CYS A 131 -3.045 1.200 -3.262 1.00 0.00 N ATOM 379 CA CYS A 131 -4.271 0.787 -2.591 1.00 0.00 C ATOM 380 C CYS A 131 -5.471 0.912 -3.525 1.00 0.00 C ATOM 381 O CYS A 131 -5.490 1.759 -4.416 1.00 0.00 O ATOM 382 CB CYS A 131 -4.498 1.630 -1.335 1.00 0.00 C ATOM 383 SG CYS A 131 -5.909 1.086 -0.319 1.00 0.00 S ATOM 0 H CYS A 131 -2.562 1.980 -2.815 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.164 -0.259 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.595 1.605 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.655 2.667 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.460 0.043 -0.865 1.00 0.00 H new ATOM 388 N GLU A 132 -6.470 0.061 -3.312 1.00 0.00 N ATOM 389 CA GLU A 132 -7.674 0.076 -4.135 1.00 0.00 C ATOM 390 C GLU A 132 -8.730 1.001 -3.537 1.00 0.00 C ATOM 391 O GLU A 132 -9.918 0.880 -3.837 1.00 0.00 O ATOM 392 CB GLU A 132 -8.240 -1.338 -4.277 1.00 0.00 C ATOM 393 CG GLU A 132 -8.055 -1.932 -5.663 1.00 0.00 C ATOM 394 CD GLU A 132 -9.165 -1.539 -6.618 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.120 -0.408 -7.147 1.00 0.00 O ATOM 396 OE2 GLU A 132 -10.079 -2.362 -6.838 1.00 0.00 O ATOM 0 H GLU A 132 -6.469 -0.647 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.404 0.451 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.759 -1.988 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.303 -1.320 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.098 -1.605 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.014 -3.019 -5.586 1.00 0.00 H new ATOM 403 N ASP A 133 -8.289 1.925 -2.691 1.00 0.00 N ATOM 404 CA ASP A 133 -9.195 2.871 -2.050 1.00 0.00 C ATOM 405 C ASP A 133 -8.893 4.299 -2.495 1.00 0.00 C ATOM 406 O ASP A 133 -7.855 4.860 -2.146 1.00 0.00 O ATOM 407 CB ASP A 133 -9.087 2.764 -0.529 1.00 0.00 C ATOM 408 CG ASP A 133 -10.232 3.456 0.184 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.400 3.162 -0.147 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.961 4.292 1.071 1.00 0.00 O ATOM 0 H ASP A 133 -7.309 2.039 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.213 2.623 -2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.067 1.713 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.143 3.201 -0.203 1.00 0.00 H new ATOM 415 N GLN A 134 -9.806 4.878 -3.268 1.00 0.00 N ATOM 416 CA GLN A 134 -9.635 6.239 -3.761 1.00 0.00 C ATOM 417 C GLN A 134 -9.482 7.222 -2.605 1.00 0.00 C ATOM 418 O GLN A 134 -8.929 8.310 -2.771 1.00 0.00 O ATOM 419 CB GLN A 134 -10.826 6.641 -4.634 1.00 0.00 C ATOM 420 CG GLN A 134 -12.149 6.658 -3.886 1.00 0.00 C ATOM 421 CD GLN A 134 -12.823 8.016 -3.923 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.059 9.063 -3.635 1.00 0.00 O flip ATOM 423 NE2 GLN A 134 -14.016 8.122 -4.205 1.00 0.00 N flip ATOM 0 H GLN A 134 -10.671 4.426 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.726 6.269 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.642 7.630 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -10.901 5.949 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.817 5.913 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -11.979 6.369 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.565 7.290 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.456 9.042 -4.224 1.00 0.00 H new ATOM 432 N ARG A 135 -9.976 6.833 -1.435 1.00 0.00 N ATOM 433 CA ARG A 135 -9.895 7.681 -0.251 1.00 0.00 C ATOM 434 C ARG A 135 -8.629 7.382 0.546 1.00 0.00 C ATOM 435 O ARG A 135 -8.492 7.803 1.695 1.00 0.00 O ATOM 436 CB ARG A 135 -11.127 7.477 0.633 1.00 0.00 C ATOM 437 CG ARG A 135 -12.406 8.039 0.034 1.00 0.00 C ATOM 438 CD ARG A 135 -13.524 7.008 0.041 1.00 0.00 C ATOM 439 NE ARG A 135 -14.842 7.630 -0.059 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.952 6.957 -0.341 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.903 5.648 -0.549 1.00 0.00 N ATOM 442 NH2 ARG A 135 -17.114 7.593 -0.414 1.00 0.00 N ATOM 0 H ARG A 135 -10.437 5.936 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.860 8.720 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.260 6.411 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.952 7.947 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.717 8.919 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.217 8.366 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.385 6.317 -0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.469 6.420 0.957 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.914 8.636 0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.011 5.156 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.757 5.134 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -17.155 8.599 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.966 7.076 -0.631 1.00 0.00 H new ATOM 456 N CYS A 136 -7.705 6.653 -0.071 1.00 0.00 N ATOM 457 CA CYS A 136 -6.450 6.297 0.580 1.00 0.00 C ATOM 458 C CYS A 136 -5.261 6.602 -0.327 1.00 0.00 C ATOM 459 O CYS A 136 -4.394 7.403 0.020 1.00 0.00 O ATOM 460 CB CYS A 136 -6.450 4.814 0.957 1.00 0.00 C ATOM 461 SG CYS A 136 -5.465 4.424 2.439 1.00 0.00 S ATOM 0 H CYS A 136 -7.802 6.297 -1.022 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.357 6.896 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.478 4.492 1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -6.066 4.236 0.116 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.093 3.541 3.157 1.00 0.00 H new ATOM 466 N GLN A 137 -5.230 5.957 -1.489 1.00 0.00 N ATOM 467 CA GLN A 137 -4.147 6.159 -2.445 1.00 0.00 C ATOM 468 C GLN A 137 -2.789 5.964 -1.779 1.00 0.00 C ATOM 469 O GLN A 137 -1.968 6.880 -1.741 1.00 0.00 O ATOM 470 CB GLN A 137 -4.233 7.559 -3.055 1.00 0.00 C ATOM 471 CG GLN A 137 -5.496 7.792 -3.868 1.00 0.00 C ATOM 472 CD GLN A 137 -5.278 7.594 -5.355 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.054 8.553 -6.095 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.342 6.346 -5.802 1.00 0.00 N ATOM 0 H GLN A 137 -5.941 5.291 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.252 5.418 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.184 8.298 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.365 7.722 -3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.275 7.111 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.857 8.805 -3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.530 5.581 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.203 6.152 -6.794 1.00 0.00 H new ATOM 483 N VAL A 138 -2.560 4.765 -1.254 1.00 0.00 N ATOM 484 CA VAL A 138 -1.301 4.449 -0.589 1.00 0.00 C ATOM 485 C VAL A 138 -0.620 3.252 -1.243 1.00 0.00 C ATOM 486 O VAL A 138 -1.217 2.185 -1.383 1.00 0.00 O ATOM 487 CB VAL A 138 -1.515 4.150 0.906 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.819 5.430 1.669 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.630 3.132 1.091 1.00 0.00 C ATOM 0 H VAL A 138 -3.230 3.996 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.662 5.326 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.595 3.725 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.967 5.198 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.985 6.123 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.723 5.887 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.768 2.932 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.556 3.527 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.366 2.206 0.579 1.00 0.00 H new ATOM 499 N TRP A 139 0.634 3.437 -1.642 1.00 0.00 N ATOM 500 CA TRP A 139 1.397 2.372 -2.281 1.00 0.00 C ATOM 501 C TRP A 139 2.117 1.519 -1.242 1.00 0.00 C ATOM 502 O TRP A 139 2.617 2.034 -0.243 1.00 0.00 O ATOM 503 CB TRP A 139 2.410 2.961 -3.265 1.00 0.00 C ATOM 504 CG TRP A 139 1.772 3.701 -4.402 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.894 4.743 -4.312 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.961 3.452 -5.799 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.526 5.157 -5.570 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.168 4.382 -6.499 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.725 2.535 -6.527 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.117 4.419 -7.890 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.673 2.573 -7.907 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.875 3.510 -8.577 1.00 0.00 C ATOM 0 H TRP A 139 1.143 4.314 -1.534 1.00 0.00 H new ATOM 0 HA TRP A 139 0.699 1.736 -2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.076 3.637 -2.729 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.027 2.157 -3.665 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.541 5.178 -3.389 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.120 5.918 -5.778 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.345 1.810 -6.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.501 5.139 -8.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.258 1.868 -8.480 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.858 3.515 -9.657 1.00 0.00 H new ATOM 523 N GLN A 140 2.164 0.213 -1.485 1.00 0.00 N ATOM 524 CA GLN A 140 2.823 -0.711 -0.569 1.00 0.00 C ATOM 525 C GLN A 140 3.594 -1.780 -1.335 1.00 0.00 C ATOM 526 O GLN A 140 3.328 -2.030 -2.511 1.00 0.00 O ATOM 527 CB GLN A 140 1.794 -1.368 0.353 1.00 0.00 C ATOM 528 CG GLN A 140 1.205 -0.419 1.383 1.00 0.00 C ATOM 529 CD GLN A 140 0.698 -1.138 2.617 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.785 -2.363 2.716 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.164 -0.380 3.567 1.00 0.00 N ATOM 0 H GLN A 140 1.754 -0.229 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 140 3.530 -0.143 0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 140 0.987 -1.780 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.264 -2.205 0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.962 0.308 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.386 0.139 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.112 0.631 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.194 -0.809 4.420 1.00 0.00 H new ATOM 540 N HIS A 141 4.553 -2.408 -0.661 1.00 0.00 N ATOM 541 CA HIS A 141 5.363 -3.452 -1.278 1.00 0.00 C ATOM 542 C HIS A 141 4.587 -4.762 -1.368 1.00 0.00 C ATOM 543 O HIS A 141 4.259 -5.372 -0.350 1.00 0.00 O ATOM 544 CB HIS A 141 6.652 -3.663 -0.483 1.00 0.00 C ATOM 545 CG HIS A 141 7.519 -2.444 -0.412 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.693 -1.428 -1.290 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.338 -2.164 0.661 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.603 -0.562 -0.737 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 8.977 -1.029 0.441 1.00 0.00 N flip ATOM 0 H HIS A 141 4.788 -2.212 0.312 1.00 0.00 H new ATOM 0 HA HIS A 141 5.616 -3.131 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.397 -3.977 0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.219 -4.476 -0.936 1.00 0.00 H new ATOM 0 HD1 HIS A 141 7.233 -1.325 -2.195 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.441 -2.777 1.544 1.00 0.00 H new ATOM 0 HE1 HIS A 141 8.956 0.352 -1.191 1.00 0.00 H new ATOM 557 N LEU A 142 4.294 -5.188 -2.592 1.00 0.00 N ATOM 558 CA LEU A 142 3.555 -6.425 -2.815 1.00 0.00 C ATOM 559 C LEU A 142 4.195 -7.586 -2.061 1.00 0.00 C ATOM 560 O LEU A 142 3.502 -8.410 -1.465 1.00 0.00 O ATOM 561 CB LEU A 142 3.496 -6.745 -4.310 1.00 0.00 C ATOM 562 CG LEU A 142 2.177 -6.421 -5.014 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.259 -6.777 -6.490 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.023 -7.157 -4.349 1.00 0.00 C ATOM 0 H LEU A 142 4.557 -4.695 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 142 2.542 -6.286 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.296 -6.198 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.704 -7.807 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 142 1.995 -5.350 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.312 -6.540 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.060 -6.205 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.464 -7.842 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.093 -6.915 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.198 -8.232 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.951 -6.853 -3.305 1.00 0.00 H new ATOM 576 N ASN A 143 5.523 -7.643 -2.089 1.00 0.00 N ATOM 577 CA ASN A 143 6.258 -8.701 -1.406 1.00 0.00 C ATOM 578 C ASN A 143 6.016 -8.647 0.100 1.00 0.00 C ATOM 579 O ASN A 143 6.041 -9.672 0.781 1.00 0.00 O ATOM 580 CB ASN A 143 7.755 -8.582 -1.698 1.00 0.00 C ATOM 581 CG ASN A 143 8.166 -9.360 -2.933 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.922 -10.328 -2.848 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.669 -8.939 -4.091 1.00 0.00 N ATOM 0 H ASN A 143 6.112 -6.969 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 143 5.897 -9.659 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.014 -7.532 -1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.320 -8.944 -0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 143 7.911 -9.423 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.046 -8.132 -4.115 1.00 0.00 H new ATOM 590 N CYS A 144 5.782 -7.444 0.613 1.00 0.00 N ATOM 591 CA CYS A 144 5.536 -7.254 2.037 1.00 0.00 C ATOM 592 C CYS A 144 4.106 -7.646 2.399 1.00 0.00 C ATOM 593 O CYS A 144 3.848 -8.158 3.489 1.00 0.00 O ATOM 594 CB CYS A 144 5.791 -5.797 2.430 1.00 0.00 C ATOM 595 SG CYS A 144 7.554 -5.372 2.603 1.00 0.00 S ATOM 0 H CYS A 144 5.758 -6.585 0.063 1.00 0.00 H new ATOM 0 HA CYS A 144 6.222 -7.898 2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.343 -5.146 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.284 -5.592 3.373 1.00 0.00 H new ATOM 0 HG CYS A 144 7.671 -4.102 2.856 1.00 0.00 H new ATOM 600 N VAL A 145 3.180 -7.403 1.477 1.00 0.00 N ATOM 601 CA VAL A 145 1.777 -7.733 1.697 1.00 0.00 C ATOM 602 C VAL A 145 1.407 -9.046 1.017 1.00 0.00 C ATOM 603 O VAL A 145 0.228 -9.368 0.864 1.00 0.00 O ATOM 604 CB VAL A 145 0.850 -6.618 1.176 1.00 0.00 C ATOM 605 CG1 VAL A 145 0.955 -5.382 2.055 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.182 -6.284 -0.271 1.00 0.00 C ATOM 0 H VAL A 145 3.376 -6.979 0.570 1.00 0.00 H new ATOM 0 HA VAL A 145 1.641 -7.835 2.774 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.179 -6.975 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.293 -4.605 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.665 -5.635 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 145 1.982 -5.018 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.518 -5.495 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.216 -5.946 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.050 -7.172 -0.889 1.00 0.00 H new ATOM 616 N LEU A 146 2.421 -9.801 0.611 1.00 0.00 N ATOM 617 CA LEU A 146 2.204 -11.082 -0.054 1.00 0.00 C ATOM 618 C LEU A 146 2.385 -12.240 0.923 1.00 0.00 C ATOM 619 O LEU A 146 3.398 -12.326 1.616 1.00 0.00 O ATOM 620 CB LEU A 146 3.167 -11.238 -1.232 1.00 0.00 C ATOM 621 CG LEU A 146 2.597 -10.910 -2.612 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.706 -10.871 -3.652 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.532 -11.924 -3.004 1.00 0.00 C ATOM 0 H LEU A 146 3.402 -9.549 0.730 1.00 0.00 H new ATOM 0 HA LEU A 146 1.180 -11.101 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.031 -10.597 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.530 -12.266 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 146 2.133 -9.924 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.281 -10.636 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.434 -10.107 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.199 -11.842 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.137 -11.675 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.971 -12.921 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.723 -11.903 -2.273 1.00 0.00 H new ATOM 759 N GLU A 156 0.551 -15.121 -3.186 1.00 0.00 N ATOM 760 CA GLU A 156 -0.807 -14.868 -3.654 1.00 0.00 C ATOM 761 C GLU A 156 -1.031 -13.378 -3.894 1.00 0.00 C ATOM 762 O GLU A 156 -1.218 -12.607 -2.953 1.00 0.00 O ATOM 763 CB GLU A 156 -1.825 -15.391 -2.638 1.00 0.00 C ATOM 764 CG GLU A 156 -2.848 -16.342 -3.236 1.00 0.00 C ATOM 765 CD GLU A 156 -4.259 -15.788 -3.187 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.447 -14.609 -3.553 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.175 -16.534 -2.783 1.00 0.00 O ATOM 0 HA GLU A 156 -0.943 -15.395 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.294 -15.901 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.346 -14.545 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.580 -16.553 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.815 -17.290 -2.699 1.00 0.00 H new ATOM 774 N VAL A 157 -1.009 -12.979 -5.162 1.00 0.00 N ATOM 775 CA VAL A 157 -1.210 -11.582 -5.528 1.00 0.00 C ATOM 776 C VAL A 157 -2.619 -11.351 -6.062 1.00 0.00 C ATOM 777 O VAL A 157 -2.901 -11.544 -7.244 1.00 0.00 O ATOM 778 CB VAL A 157 -0.190 -11.128 -6.589 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.361 -9.648 -6.895 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.229 -11.424 -6.125 1.00 0.00 C ATOM 0 H VAL A 157 -0.854 -13.604 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.067 -10.993 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.372 -11.688 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.368 -9.345 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.368 -9.469 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.206 -9.068 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.937 -11.097 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.426 -10.892 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.342 -12.496 -5.961 1.00 0.00 H new ATOM 790 N PRO A 158 -3.527 -10.926 -5.170 1.00 0.00 N ATOM 791 CA PRO A 158 -4.923 -10.658 -5.529 1.00 0.00 C ATOM 792 C PRO A 158 -5.067 -9.423 -6.412 1.00 0.00 C ATOM 793 O PRO A 158 -4.162 -8.595 -6.515 1.00 0.00 O ATOM 794 CB PRO A 158 -5.599 -10.429 -4.175 1.00 0.00 C ATOM 795 CG PRO A 158 -4.503 -9.968 -3.277 1.00 0.00 C ATOM 796 CD PRO A 158 -3.260 -10.675 -3.744 1.00 0.00 C ATOM 0 HA PRO A 158 -5.360 -11.473 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.390 -9.683 -4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -6.058 -11.345 -3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.381 -8.886 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.722 -10.210 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.371 -10.060 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -3.095 -11.603 -3.196 1.00 0.00 H new ATOM 804 N PRO A 159 -6.232 -9.295 -7.065 1.00 0.00 N ATOM 805 CA PRO A 159 -6.522 -8.163 -7.950 1.00 0.00 C ATOM 806 C PRO A 159 -6.696 -6.856 -7.182 1.00 0.00 C ATOM 807 O PRO A 159 -6.171 -5.816 -7.580 1.00 0.00 O ATOM 808 CB PRO A 159 -7.837 -8.566 -8.622 1.00 0.00 C ATOM 809 CG PRO A 159 -8.480 -9.508 -7.663 1.00 0.00 C ATOM 810 CD PRO A 159 -7.355 -10.244 -6.989 1.00 0.00 C ATOM 0 HA PRO A 159 -5.709 -7.975 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.469 -7.698 -8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.659 -9.043 -9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.086 -8.970 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.144 -10.200 -8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.600 -10.494 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.125 -11.180 -7.498 1.00 0.00 H new ATOM 818 N VAL A 160 -7.435 -6.917 -6.079 1.00 0.00 N ATOM 819 CA VAL A 160 -7.676 -5.739 -5.255 1.00 0.00 C ATOM 820 C VAL A 160 -6.858 -5.791 -3.969 1.00 0.00 C ATOM 821 O VAL A 160 -6.935 -6.756 -3.210 1.00 0.00 O ATOM 822 CB VAL A 160 -9.168 -5.601 -4.895 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.704 -6.908 -4.332 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.375 -4.462 -3.909 1.00 0.00 C ATOM 0 H VAL A 160 -7.877 -7.770 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.370 -4.874 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.723 -5.369 -5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.759 -6.792 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.591 -7.698 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.147 -7.173 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.434 -4.379 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.809 -4.661 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.031 -3.528 -4.354 1.00 0.00 H new ATOM 834 N PHE A 161 -6.073 -4.745 -3.732 1.00 0.00 N ATOM 835 CA PHE A 161 -5.239 -4.670 -2.538 1.00 0.00 C ATOM 836 C PHE A 161 -5.664 -3.506 -1.649 1.00 0.00 C ATOM 837 O PHE A 161 -5.999 -2.427 -2.139 1.00 0.00 O ATOM 838 CB PHE A 161 -3.767 -4.519 -2.927 1.00 0.00 C ATOM 839 CG PHE A 161 -2.913 -3.949 -1.831 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.483 -4.748 -0.784 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.539 -2.615 -1.848 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.698 -4.226 0.227 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.753 -2.088 -0.841 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.331 -2.895 0.197 1.00 0.00 C ATOM 0 H PHE A 161 -5.997 -3.938 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.366 -5.596 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.373 -5.494 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.695 -3.876 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.764 -5.790 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.866 -1.980 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.372 -4.858 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.469 -1.046 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.715 -2.486 0.984 1.00 0.00 H new ATOM 854 N TYR A 162 -5.648 -3.732 -0.340 1.00 0.00 N ATOM 855 CA TYR A 162 -6.035 -2.703 0.618 1.00 0.00 C ATOM 856 C TYR A 162 -5.029 -2.618 1.762 1.00 0.00 C ATOM 857 O TYR A 162 -4.743 -3.613 2.429 1.00 0.00 O ATOM 858 CB TYR A 162 -7.431 -2.992 1.173 1.00 0.00 C ATOM 859 CG TYR A 162 -8.549 -2.585 0.240 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.755 -1.251 -0.090 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.401 -3.535 -0.311 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.776 -0.875 -0.941 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.424 -3.167 -1.164 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.607 -1.836 -1.476 1.00 0.00 C ATOM 865 OH TYR A 162 -11.625 -1.466 -2.324 1.00 0.00 O ATOM 0 H TYR A 162 -5.371 -4.618 0.082 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.049 -1.745 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.515 -4.058 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.552 -2.468 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.106 -0.495 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.261 -4.578 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.922 0.167 -1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.077 -3.918 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.315 -0.746 -2.912 1.00 0.00 H new ATOM 875 N CYS A 163 -4.495 -1.422 1.983 1.00 0.00 N ATOM 876 CA CYS A 163 -3.520 -1.203 3.045 1.00 0.00 C ATOM 877 C CYS A 163 -4.095 -1.603 4.401 1.00 0.00 C ATOM 878 O CYS A 163 -5.211 -2.114 4.486 1.00 0.00 O ATOM 879 CB CYS A 163 -3.087 0.264 3.075 1.00 0.00 C ATOM 880 SG CYS A 163 -4.310 1.385 3.828 1.00 0.00 S ATOM 0 H CYS A 163 -4.721 -0.588 1.440 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.650 -1.827 2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.150 0.344 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.887 0.594 2.055 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.563 2.364 3.011 1.00 0.00 H new ATOM 885 N GLU A 164 -3.323 -1.367 5.457 1.00 0.00 N ATOM 886 CA GLU A 164 -3.756 -1.703 6.809 1.00 0.00 C ATOM 887 C GLU A 164 -5.010 -0.922 7.189 1.00 0.00 C ATOM 888 O GLU A 164 -5.970 -1.485 7.716 1.00 0.00 O ATOM 889 CB GLU A 164 -2.638 -1.414 7.813 1.00 0.00 C ATOM 890 CG GLU A 164 -2.117 0.012 7.749 1.00 0.00 C ATOM 891 CD GLU A 164 -0.861 0.211 8.576 1.00 0.00 C ATOM 892 OE1 GLU A 164 0.076 -0.602 8.439 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.817 1.182 9.361 1.00 0.00 O ATOM 0 H GLU A 164 -2.396 -0.945 5.403 1.00 0.00 H new ATOM 0 HA GLU A 164 -3.991 -2.767 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.005 -1.613 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.812 -2.102 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.910 0.273 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.891 0.694 8.101 1.00 0.00 H new ATOM 900 N LEU A 165 -4.995 0.378 6.918 1.00 0.00 N ATOM 901 CA LEU A 165 -6.130 1.239 7.231 1.00 0.00 C ATOM 902 C LEU A 165 -7.420 0.673 6.647 1.00 0.00 C ATOM 903 O LEU A 165 -8.371 0.386 7.375 1.00 0.00 O ATOM 904 CB LEU A 165 -5.890 2.650 6.693 1.00 0.00 C ATOM 905 CG LEU A 165 -4.506 3.244 6.960 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.443 4.687 6.484 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.163 3.152 8.440 1.00 0.00 C ATOM 0 H LEU A 165 -4.209 0.860 6.482 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.232 1.283 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.057 2.640 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.638 3.314 7.126 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.770 2.667 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.451 5.093 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.644 4.726 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.189 5.278 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.175 3.579 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.903 3.704 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.165 2.107 8.750 1.00 0.00 H new ATOM 919 N CYS A 166 -7.445 0.512 5.328 1.00 0.00 N ATOM 920 CA CYS A 166 -8.617 -0.022 4.645 1.00 0.00 C ATOM 921 C CYS A 166 -8.885 -1.463 5.069 1.00 0.00 C ATOM 922 O CYS A 166 -10.037 -1.881 5.193 1.00 0.00 O ATOM 923 CB CYS A 166 -8.425 0.047 3.128 1.00 0.00 C ATOM 924 SG CYS A 166 -8.033 1.712 2.503 1.00 0.00 S ATOM 0 H CYS A 166 -6.667 0.744 4.711 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.477 0.586 4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.624 -0.634 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.333 -0.308 2.641 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.255 1.614 1.466 1.00 0.00 H new ATOM 929 N ARG A 167 -7.814 -2.218 5.292 1.00 0.00 N ATOM 930 CA ARG A 167 -7.933 -3.612 5.702 1.00 0.00 C ATOM 931 C ARG A 167 -8.796 -3.738 6.954 1.00 0.00 C ATOM 932 O ARG A 167 -9.796 -4.457 6.962 1.00 0.00 O ATOM 933 CB ARG A 167 -6.549 -4.209 5.960 1.00 0.00 C ATOM 934 CG ARG A 167 -5.955 -4.916 4.753 1.00 0.00 C ATOM 935 CD ARG A 167 -5.786 -6.406 5.006 1.00 0.00 C ATOM 936 NE ARG A 167 -4.450 -6.729 5.498 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.064 -7.958 5.824 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.908 -8.974 5.709 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.831 -8.172 6.264 1.00 0.00 N ATOM 0 H ARG A 167 -6.854 -1.887 5.196 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.414 -4.163 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.873 -3.414 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.616 -4.915 6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.600 -4.764 3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -4.988 -4.475 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.529 -6.737 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -5.975 -6.954 4.083 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.776 -5.970 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.856 -8.813 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.609 -9.916 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.179 -7.393 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.535 -9.116 6.514 1.00 0.00 H new