USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 441 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.43 K(o=-1.4,f=-5!) USER MOD Single : A 97 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.022) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.478 F(o=-1.5!,f=-0.48) USER MOD Single : A 109 MET CE :methyl 169:sc= -18.3! (180deg=-18.8!) USER MOD Single : A 110 THR OG1 : rot 106:sc= 0.634 USER MOD Single : A 111 ASN : amide:sc= -7.88! C(o=-7.9!,f=-17!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 124 MET CE :methyl -154:sc= -0.0293 (180deg=-0.418) USER MOD Single : A 137 ASN :FLIP amide:sc= -3.02! C(o=-4.8!,f=-3!) USER MOD Single : A 138 TYR OH : rot -68:sc= -1.1! USER MOD Single : A 143 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 144 MET CE :methyl -128:sc= -5.36! (180deg=-7.18!) USER MOD Single : A 145 MET CE :methyl 158:sc= -8.66! (180deg=-11.3!) USER MOD Single : A 146 THR OG1 : rot -62:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -5.848 -2.402 -7.385 1.00 0.00 N ATOM 92 CA GLU A 82 -6.053 -1.631 -6.127 1.00 0.00 C ATOM 93 C GLU A 82 -7.535 -1.650 -5.746 1.00 0.00 C ATOM 94 O GLU A 82 -7.959 -0.961 -4.840 1.00 0.00 O ATOM 95 CB GLU A 82 -5.598 -0.184 -6.333 1.00 0.00 C ATOM 96 CG GLU A 82 -4.411 -0.153 -7.297 1.00 0.00 C ATOM 97 CD GLU A 82 -3.710 1.203 -7.200 1.00 0.00 C ATOM 98 OE1 GLU A 82 -3.546 1.686 -6.091 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.349 1.737 -8.235 1.00 0.00 O ATOM 0 HA GLU A 82 -5.469 -2.086 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.419 0.413 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.316 0.259 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.712 -0.954 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.753 -0.325 -8.317 1.00 0.00 H new ATOM 106 N GLU A 83 -8.327 -2.434 -6.426 1.00 0.00 N ATOM 107 CA GLU A 83 -9.777 -2.489 -6.090 1.00 0.00 C ATOM 108 C GLU A 83 -9.942 -3.006 -4.656 1.00 0.00 C ATOM 109 O GLU A 83 -10.835 -2.603 -3.937 1.00 0.00 O ATOM 110 CB GLU A 83 -10.500 -3.404 -7.090 1.00 0.00 C ATOM 111 CG GLU A 83 -10.495 -4.845 -6.587 1.00 0.00 C ATOM 112 CD GLU A 83 -11.255 -5.738 -7.570 1.00 0.00 C ATOM 113 OE1 GLU A 83 -10.897 -5.741 -8.736 1.00 0.00 O ATOM 114 OE2 GLU A 83 -12.182 -6.404 -7.139 1.00 0.00 O ATOM 0 H GLU A 83 -8.034 -3.036 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.216 -1.494 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.526 -3.064 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.011 -3.349 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.470 -5.198 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.957 -4.898 -5.601 1.00 0.00 H new ATOM 121 N GLU A 84 -9.082 -3.893 -4.235 1.00 0.00 N ATOM 122 CA GLU A 84 -9.180 -4.433 -2.850 1.00 0.00 C ATOM 123 C GLU A 84 -8.163 -3.720 -1.958 1.00 0.00 C ATOM 124 O GLU A 84 -8.287 -3.699 -0.749 1.00 0.00 O ATOM 125 CB GLU A 84 -8.880 -5.934 -2.863 1.00 0.00 C ATOM 126 CG GLU A 84 -9.993 -6.674 -3.607 1.00 0.00 C ATOM 127 CD GLU A 84 -9.376 -7.669 -4.591 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.043 -8.764 -4.166 1.00 0.00 O ATOM 129 OE2 GLU A 84 -9.246 -7.321 -5.752 1.00 0.00 O ATOM 0 H GLU A 84 -8.314 -4.268 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.186 -4.268 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.921 -6.119 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.800 -6.308 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.633 -7.198 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.624 -5.963 -4.140 1.00 0.00 H new ATOM 136 N ILE A 85 -7.154 -3.138 -2.546 1.00 0.00 N ATOM 137 CA ILE A 85 -6.122 -2.427 -1.739 1.00 0.00 C ATOM 138 C ILE A 85 -6.720 -1.152 -1.141 1.00 0.00 C ATOM 139 O ILE A 85 -6.740 -0.970 0.059 1.00 0.00 O ATOM 140 CB ILE A 85 -4.941 -2.055 -2.635 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.195 -3.325 -3.048 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.990 -1.133 -1.871 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.562 -3.118 -4.424 1.00 0.00 C ATOM 0 H ILE A 85 -6.999 -3.124 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.783 -3.081 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.308 -1.542 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.425 -3.563 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.882 -4.171 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.148 -0.868 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.520 -0.228 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.623 -1.645 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.030 -4.022 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.342 -2.901 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.862 -2.283 -4.381 1.00 0.00 H new ATOM 155 N ARG A 86 -7.196 -0.260 -1.968 1.00 0.00 N ATOM 156 CA ARG A 86 -7.775 1.005 -1.437 1.00 0.00 C ATOM 157 C ARG A 86 -8.927 0.691 -0.479 1.00 0.00 C ATOM 158 O ARG A 86 -9.271 1.492 0.362 1.00 0.00 O ATOM 159 CB ARG A 86 -8.276 1.881 -2.595 1.00 0.00 C ATOM 160 CG ARG A 86 -9.712 1.502 -2.973 1.00 0.00 C ATOM 161 CD ARG A 86 -10.688 2.303 -2.107 1.00 0.00 C ATOM 162 NE ARG A 86 -11.900 1.480 -1.830 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.783 1.279 -2.772 1.00 0.00 C ATOM 164 NH1 ARG A 86 -13.067 2.232 -3.614 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.384 0.124 -2.867 1.00 0.00 N ATOM 0 H ARG A 86 -7.209 -0.353 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.002 1.548 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.235 2.932 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.622 1.760 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.890 1.709 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.870 0.433 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.209 2.590 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.970 3.225 -2.616 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.040 1.074 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.600 3.136 -3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.756 2.074 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.164 -0.621 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.073 -0.033 -3.602 1.00 0.00 H new ATOM 179 N GLU A 87 -9.529 -0.460 -0.596 1.00 0.00 N ATOM 180 CA GLU A 87 -10.653 -0.795 0.321 1.00 0.00 C ATOM 181 C GLU A 87 -10.077 -1.196 1.679 1.00 0.00 C ATOM 182 O GLU A 87 -10.533 -0.752 2.714 1.00 0.00 O ATOM 183 CB GLU A 87 -11.471 -1.951 -0.266 1.00 0.00 C ATOM 184 CG GLU A 87 -12.333 -2.593 0.827 1.00 0.00 C ATOM 185 CD GLU A 87 -12.993 -1.501 1.677 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.493 -0.551 1.099 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.985 -1.637 2.889 1.00 0.00 O ATOM 0 H GLU A 87 -9.293 -1.178 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.306 0.069 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.106 -1.585 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.804 -2.696 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.097 -3.226 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.718 -3.235 1.457 1.00 0.00 H new ATOM 194 N ALA A 88 -9.066 -2.020 1.683 1.00 0.00 N ATOM 195 CA ALA A 88 -8.450 -2.429 2.974 1.00 0.00 C ATOM 196 C ALA A 88 -7.330 -1.446 3.310 1.00 0.00 C ATOM 197 O ALA A 88 -6.491 -1.699 4.152 1.00 0.00 O ATOM 198 CB ALA A 88 -7.878 -3.842 2.844 1.00 0.00 C ATOM 0 H ALA A 88 -8.641 -2.427 0.849 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.199 -2.423 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.427 -4.140 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.678 -4.536 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.121 -3.857 2.060 1.00 0.00 H new ATOM 204 N PHE A 89 -7.323 -0.316 2.656 1.00 0.00 N ATOM 205 CA PHE A 89 -6.279 0.703 2.917 1.00 0.00 C ATOM 206 C PHE A 89 -6.902 2.097 2.858 1.00 0.00 C ATOM 207 O PHE A 89 -6.254 3.076 3.152 1.00 0.00 O ATOM 208 CB PHE A 89 -5.172 0.608 1.865 1.00 0.00 C ATOM 209 CG PHE A 89 -3.876 1.009 2.516 1.00 0.00 C ATOM 210 CD1 PHE A 89 -3.114 0.047 3.186 1.00 0.00 C ATOM 211 CD2 PHE A 89 -3.450 2.343 2.483 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.929 0.413 3.828 1.00 0.00 C ATOM 213 CE2 PHE A 89 -2.263 2.705 3.121 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.504 1.739 3.797 1.00 0.00 C ATOM 0 H PHE A 89 -8.006 -0.057 1.945 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.854 0.525 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.104 -0.407 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.392 1.261 1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.443 -0.982 3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.037 3.088 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.343 -0.331 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.928 3.731 3.094 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.589 2.024 4.294 1.00 0.00 H new ATOM 224 N ARG A 90 -8.162 2.202 2.516 1.00 0.00 N ATOM 225 CA ARG A 90 -8.800 3.535 2.484 1.00 0.00 C ATOM 226 C ARG A 90 -8.691 4.086 3.888 1.00 0.00 C ATOM 227 O ARG A 90 -8.626 5.276 4.125 1.00 0.00 O ATOM 228 CB ARG A 90 -10.273 3.395 2.098 1.00 0.00 C ATOM 229 CG ARG A 90 -10.933 2.306 2.949 1.00 0.00 C ATOM 230 CD ARG A 90 -12.446 2.280 2.689 1.00 0.00 C ATOM 231 NE ARG A 90 -12.769 3.040 1.444 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.722 3.932 1.456 1.00 0.00 C ATOM 233 NH1 ARG A 90 -13.795 4.795 2.433 1.00 0.00 N ATOM 234 NH2 ARG A 90 -14.603 3.963 0.493 1.00 0.00 N ATOM 0 H ARG A 90 -8.766 1.421 2.260 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.321 4.191 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.788 4.345 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.359 3.145 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.498 1.335 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.741 2.492 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.788 1.250 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.976 2.715 3.537 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.246 2.862 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.108 4.772 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.539 5.492 2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.548 3.289 -0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.347 4.661 0.505 1.00 0.00 H new ATOM 248 N VAL A 91 -8.650 3.180 4.812 1.00 0.00 N ATOM 249 CA VAL A 91 -8.520 3.516 6.236 1.00 0.00 C ATOM 250 C VAL A 91 -7.612 4.740 6.410 1.00 0.00 C ATOM 251 O VAL A 91 -7.798 5.542 7.303 1.00 0.00 O ATOM 252 CB VAL A 91 -7.920 2.282 6.907 1.00 0.00 C ATOM 253 CG1 VAL A 91 -7.174 2.669 8.187 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.055 1.314 7.240 1.00 0.00 C ATOM 0 H VAL A 91 -8.704 2.179 4.624 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.481 3.772 6.683 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.206 1.812 6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.755 1.775 8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.369 3.363 7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.866 3.145 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.646 0.425 7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.761 1.799 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.569 1.027 6.323 1.00 0.00 H new ATOM 264 N PHE A 92 -6.636 4.888 5.559 1.00 0.00 N ATOM 265 CA PHE A 92 -5.720 6.057 5.664 1.00 0.00 C ATOM 266 C PHE A 92 -6.293 7.219 4.849 1.00 0.00 C ATOM 267 O PHE A 92 -6.640 8.256 5.380 1.00 0.00 O ATOM 268 CB PHE A 92 -4.355 5.669 5.119 1.00 0.00 C ATOM 269 CG PHE A 92 -3.851 4.470 5.881 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.148 4.646 7.079 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.088 3.182 5.393 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.683 3.533 7.787 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.625 2.070 6.101 1.00 0.00 C ATOM 274 CZ PHE A 92 -2.921 2.243 7.298 1.00 0.00 C ATOM 0 H PHE A 92 -6.433 4.247 4.792 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.621 6.362 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.425 5.439 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.658 6.501 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.965 5.641 7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.629 3.046 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.140 3.669 8.711 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.811 1.075 5.724 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.562 1.383 7.844 1.00 0.00 H new ATOM 284 N ASP A 93 -6.405 7.044 3.561 1.00 0.00 N ATOM 285 CA ASP A 93 -6.962 8.116 2.697 1.00 0.00 C ATOM 286 C ASP A 93 -8.465 7.871 2.507 1.00 0.00 C ATOM 287 O ASP A 93 -8.968 7.822 1.402 1.00 0.00 O ATOM 288 CB ASP A 93 -6.248 8.086 1.339 1.00 0.00 C ATOM 289 CG ASP A 93 -6.998 8.961 0.331 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.080 10.155 0.556 1.00 0.00 O ATOM 291 OD2 ASP A 93 -7.482 8.418 -0.649 1.00 0.00 O ATOM 0 H ASP A 93 -6.131 6.194 3.068 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.811 9.092 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.224 8.442 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.191 7.061 0.972 1.00 0.00 H new ATOM 337 N ASN A 97 -6.132 12.382 1.076 1.00 0.00 N ATOM 338 CA ASN A 97 -5.086 12.572 0.030 1.00 0.00 C ATOM 339 C ASN A 97 -5.125 11.431 -0.990 1.00 0.00 C ATOM 340 O ASN A 97 -5.548 11.606 -2.116 1.00 0.00 O ATOM 341 CB ASN A 97 -3.709 12.604 0.696 1.00 0.00 C ATOM 342 CG ASN A 97 -3.198 14.045 0.745 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.838 14.538 1.796 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.149 14.746 -0.354 1.00 0.00 N ATOM 0 HA ASN A 97 -5.277 13.511 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.772 12.195 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.010 11.978 0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.809 15.707 -0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.451 14.333 -1.236 1.00 0.00 H new ATOM 351 N GLY A 98 -4.665 10.272 -0.613 1.00 0.00 N ATOM 352 CA GLY A 98 -4.644 9.125 -1.558 1.00 0.00 C ATOM 353 C GLY A 98 -3.426 8.276 -1.222 1.00 0.00 C ATOM 354 O GLY A 98 -3.440 7.067 -1.340 1.00 0.00 O ATOM 0 H GLY A 98 -4.300 10.070 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.558 8.537 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.593 9.478 -2.588 1.00 0.00 H new ATOM 358 N TYR A 99 -2.375 8.910 -0.782 1.00 0.00 N ATOM 359 CA TYR A 99 -1.151 8.161 -0.409 1.00 0.00 C ATOM 360 C TYR A 99 -1.088 8.050 1.107 1.00 0.00 C ATOM 361 O TYR A 99 -2.026 8.387 1.802 1.00 0.00 O ATOM 362 CB TYR A 99 0.081 8.894 -0.936 1.00 0.00 C ATOM 363 CG TYR A 99 0.303 10.155 -0.131 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.037 10.108 1.060 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.227 11.371 -0.579 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.240 11.276 1.804 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.023 12.540 0.165 1.00 0.00 C ATOM 368 CZ TYR A 99 0.710 12.492 1.356 1.00 0.00 C ATOM 369 OH TYR A 99 0.911 13.645 2.090 1.00 0.00 O ATOM 0 H TYR A 99 -2.315 9.922 -0.665 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.176 7.163 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.957 8.249 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.053 9.141 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.447 9.170 1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.793 11.408 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.805 11.239 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.431 13.478 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 99 0.478 14.400 1.639 1.00 0.00 H new ATOM 379 N ILE A 100 -0.008 7.550 1.626 1.00 0.00 N ATOM 380 CA ILE A 100 0.082 7.378 3.097 1.00 0.00 C ATOM 381 C ILE A 100 1.548 7.275 3.521 1.00 0.00 C ATOM 382 O ILE A 100 2.445 7.525 2.748 1.00 0.00 O ATOM 383 CB ILE A 100 -0.619 6.077 3.441 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.174 5.022 2.435 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.132 6.251 3.343 1.00 0.00 C ATOM 386 CD1 ILE A 100 0.346 3.813 3.184 1.00 0.00 C ATOM 0 H ILE A 100 0.813 7.254 1.099 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.375 8.226 3.608 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.365 5.778 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.009 4.737 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.603 5.425 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.623 5.310 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.455 7.025 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.400 6.542 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.666 3.053 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.192 4.106 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.445 3.408 3.815 1.00 0.00 H new ATOM 398 N SER A 101 1.792 6.893 4.744 1.00 0.00 N ATOM 399 CA SER A 101 3.197 6.759 5.221 1.00 0.00 C ATOM 400 C SER A 101 3.549 5.276 5.360 1.00 0.00 C ATOM 401 O SER A 101 2.766 4.410 5.027 1.00 0.00 O ATOM 402 CB SER A 101 3.337 7.443 6.581 1.00 0.00 C ATOM 403 OG SER A 101 4.683 7.862 6.761 1.00 0.00 O ATOM 0 H SER A 101 1.077 6.667 5.435 1.00 0.00 H new ATOM 0 HA SER A 101 3.872 7.227 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.666 8.300 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.048 6.757 7.377 1.00 0.00 H new ATOM 0 HG SER A 101 4.775 8.302 7.632 1.00 0.00 H new ATOM 409 N ALA A 102 4.720 4.977 5.857 1.00 0.00 N ATOM 410 CA ALA A 102 5.116 3.550 6.022 1.00 0.00 C ATOM 411 C ALA A 102 4.322 2.937 7.174 1.00 0.00 C ATOM 412 O ALA A 102 3.710 1.897 7.033 1.00 0.00 O ATOM 413 CB ALA A 102 6.613 3.467 6.329 1.00 0.00 C ATOM 0 H ALA A 102 5.418 5.659 6.155 1.00 0.00 H new ATOM 0 HA ALA A 102 4.906 3.003 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.902 2.423 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.178 3.907 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.826 4.011 7.249 1.00 0.00 H new ATOM 419 N ALA A 103 4.318 3.573 8.312 1.00 0.00 N ATOM 420 CA ALA A 103 3.553 3.019 9.462 1.00 0.00 C ATOM 421 C ALA A 103 2.113 2.774 9.020 1.00 0.00 C ATOM 422 O ALA A 103 1.394 1.993 9.609 1.00 0.00 O ATOM 423 CB ALA A 103 3.576 4.009 10.627 1.00 0.00 C ATOM 0 H ALA A 103 4.809 4.448 8.495 1.00 0.00 H new ATOM 0 HA ALA A 103 4.005 2.083 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.014 3.597 11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.607 4.187 10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.123 4.950 10.314 1.00 0.00 H new ATOM 429 N GLU A 104 1.690 3.428 7.975 1.00 0.00 N ATOM 430 CA GLU A 104 0.305 3.217 7.483 1.00 0.00 C ATOM 431 C GLU A 104 0.261 1.878 6.747 1.00 0.00 C ATOM 432 O GLU A 104 -0.656 1.096 6.901 1.00 0.00 O ATOM 433 CB GLU A 104 -0.079 4.353 6.529 1.00 0.00 C ATOM 434 CG GLU A 104 -0.513 5.575 7.340 1.00 0.00 C ATOM 435 CD GLU A 104 0.723 6.345 7.808 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.497 5.780 8.562 1.00 0.00 O ATOM 437 OE2 GLU A 104 0.872 7.486 7.406 1.00 0.00 O ATOM 0 H GLU A 104 2.244 4.098 7.442 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.399 3.209 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.767 4.608 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.888 4.033 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.148 6.220 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.106 5.262 8.199 1.00 0.00 H new ATOM 444 N LEU A 105 1.262 1.606 5.956 1.00 0.00 N ATOM 445 CA LEU A 105 1.313 0.325 5.210 1.00 0.00 C ATOM 446 C LEU A 105 1.416 -0.851 6.185 1.00 0.00 C ATOM 447 O LEU A 105 0.572 -1.716 6.205 1.00 0.00 O ATOM 448 CB LEU A 105 2.547 0.329 4.317 1.00 0.00 C ATOM 449 CG LEU A 105 2.176 -0.228 2.952 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.521 0.794 1.869 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.957 -1.522 2.706 1.00 0.00 C ATOM 0 H LEU A 105 2.055 2.227 5.795 1.00 0.00 H new ATOM 0 HA LEU A 105 0.406 0.219 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.935 1.343 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.338 -0.272 4.766 1.00 0.00 H new ATOM 0 HG LEU A 105 1.106 -0.435 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.254 0.392 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.965 1.715 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.590 1.005 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.694 -1.925 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.026 -1.313 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.707 -2.250 3.478 1.00 0.00 H new ATOM 463 N ARG A 106 2.455 -0.895 6.980 1.00 0.00 N ATOM 464 CA ARG A 106 2.631 -2.032 7.942 1.00 0.00 C ATOM 465 C ARG A 106 1.281 -2.513 8.484 1.00 0.00 C ATOM 466 O ARG A 106 1.037 -3.696 8.624 1.00 0.00 O ATOM 467 CB ARG A 106 3.491 -1.566 9.116 1.00 0.00 C ATOM 468 CG ARG A 106 2.859 -0.332 9.757 1.00 0.00 C ATOM 469 CD ARG A 106 1.926 -0.763 10.892 1.00 0.00 C ATOM 470 NE ARG A 106 2.399 -0.172 12.175 1.00 0.00 N ATOM 471 CZ ARG A 106 2.382 -0.885 13.269 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.425 -1.749 13.469 1.00 0.00 N ATOM 473 NH2 ARG A 106 3.321 -0.732 14.163 1.00 0.00 N ATOM 0 H ARG A 106 3.193 -0.191 7.006 1.00 0.00 H new ATOM 0 HA ARG A 106 3.110 -2.856 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.582 -2.364 9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.499 -1.334 8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.636 0.328 10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.302 0.233 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.907 -0.437 10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.904 -1.850 10.966 1.00 0.00 H new ATOM 0 HE ARG A 106 2.736 0.790 12.199 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.691 -1.867 12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.411 -2.306 14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.068 -0.055 14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.307 -1.289 15.017 1.00 0.00 H new ATOM 487 N HIS A 107 0.424 -1.600 8.820 1.00 0.00 N ATOM 488 CA HIS A 107 -0.905 -1.971 9.397 1.00 0.00 C ATOM 489 C HIS A 107 -1.759 -2.796 8.418 1.00 0.00 C ATOM 490 O HIS A 107 -2.353 -3.785 8.799 1.00 0.00 O ATOM 491 CB HIS A 107 -1.661 -0.692 9.762 1.00 0.00 C ATOM 492 CG HIS A 107 -2.989 -1.049 10.371 1.00 0.00 C ATOM 493 ND1 HIS A 107 -4.113 -1.635 9.843 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.282 -0.802 11.703 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -5.089 -1.750 10.829 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.536 -1.234 11.929 1.00 0.00 N flip ATOM 0 H HIS A 107 0.583 -0.597 8.721 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.725 -2.587 10.278 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.075 -0.099 10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.810 -0.079 8.873 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.624 -0.346 12.428 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.080 -2.167 10.726 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.007 -1.174 12.832 1.00 0.00 H new ATOM 504 N VAL A 108 -1.870 -2.391 7.179 1.00 0.00 N ATOM 505 CA VAL A 108 -2.739 -3.157 6.226 1.00 0.00 C ATOM 506 C VAL A 108 -1.974 -4.286 5.545 1.00 0.00 C ATOM 507 O VAL A 108 -2.493 -5.358 5.379 1.00 0.00 O ATOM 508 CB VAL A 108 -3.302 -2.220 5.166 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.075 -3.041 4.136 1.00 0.00 C ATOM 510 CG2 VAL A 108 -4.242 -1.217 5.831 1.00 0.00 C ATOM 0 H VAL A 108 -1.404 -1.573 6.786 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.551 -3.597 6.805 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.491 -1.685 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.482 -2.377 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.405 -3.763 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.891 -3.569 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.648 -0.543 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.058 -1.751 6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.692 -0.640 6.574 1.00 0.00 H new ATOM 520 N MET A 109 -0.761 -4.072 5.137 1.00 0.00 N ATOM 521 CA MET A 109 -0.011 -5.176 4.471 1.00 0.00 C ATOM 522 C MET A 109 0.223 -6.313 5.476 1.00 0.00 C ATOM 523 O MET A 109 0.711 -7.370 5.129 1.00 0.00 O ATOM 524 CB MET A 109 1.337 -4.652 3.977 1.00 0.00 C ATOM 525 CG MET A 109 1.568 -5.110 2.536 1.00 0.00 C ATOM 526 SD MET A 109 3.285 -5.651 2.345 1.00 0.00 S ATOM 527 CE MET A 109 4.070 -4.145 2.973 1.00 0.00 C ATOM 0 H MET A 109 -0.256 -3.191 5.232 1.00 0.00 H new ATOM 0 HA MET A 109 -0.589 -5.548 3.625 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.358 -3.564 4.031 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.138 -5.018 4.619 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.889 -5.926 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.353 -4.295 1.845 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.133 -4.327 3.129 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.942 -3.339 2.250 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.608 -3.861 3.919 1.00 0.00 H new ATOM 537 N THR A 110 -0.111 -6.097 6.722 1.00 0.00 N ATOM 538 CA THR A 110 0.099 -7.150 7.758 1.00 0.00 C ATOM 539 C THR A 110 -1.175 -8.000 7.911 1.00 0.00 C ATOM 540 O THR A 110 -1.148 -9.074 8.476 1.00 0.00 O ATOM 541 CB THR A 110 0.451 -6.457 9.085 1.00 0.00 C ATOM 542 OG1 THR A 110 1.857 -6.266 9.154 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.003 -7.304 10.275 1.00 0.00 C ATOM 0 H THR A 110 -0.523 -5.230 7.068 1.00 0.00 H new ATOM 0 HA THR A 110 0.912 -7.814 7.464 1.00 0.00 H new ATOM 0 HB THR A 110 -0.062 -5.496 9.125 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.066 -5.319 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.256 -6.795 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.083 -7.448 10.229 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.494 -8.274 10.242 1.00 0.00 H new ATOM 551 N ASN A 111 -2.284 -7.528 7.414 1.00 0.00 N ATOM 552 CA ASN A 111 -3.551 -8.312 7.533 1.00 0.00 C ATOM 553 C ASN A 111 -4.038 -8.684 6.131 1.00 0.00 C ATOM 554 O ASN A 111 -4.792 -9.617 5.945 1.00 0.00 O ATOM 555 CB ASN A 111 -4.614 -7.465 8.236 1.00 0.00 C ATOM 556 CG ASN A 111 -4.505 -6.012 7.769 1.00 0.00 C ATOM 557 OD1 ASN A 111 -4.470 -5.742 6.585 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.450 -5.056 8.657 1.00 0.00 N ATOM 0 H ASN A 111 -2.371 -6.634 6.930 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.372 -9.217 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.608 -7.855 8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.482 -7.521 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.378 -4.084 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.479 -5.281 9.651 1.00 0.00 H new ATOM 565 N LEU A 112 -3.597 -7.956 5.148 1.00 0.00 N ATOM 566 CA LEU A 112 -4.003 -8.239 3.745 1.00 0.00 C ATOM 567 C LEU A 112 -3.558 -9.653 3.375 1.00 0.00 C ATOM 568 O LEU A 112 -3.193 -10.440 4.226 1.00 0.00 O ATOM 569 CB LEU A 112 -3.313 -7.226 2.813 1.00 0.00 C ATOM 570 CG LEU A 112 -4.236 -6.035 2.478 1.00 0.00 C ATOM 571 CD1 LEU A 112 -4.917 -6.287 1.132 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.313 -5.852 3.557 1.00 0.00 C ATOM 0 H LEU A 112 -2.963 -7.165 5.258 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.085 -8.156 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.402 -6.858 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.014 -7.725 1.891 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.629 -5.131 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.570 -5.448 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.160 -6.392 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.507 -7.201 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.949 -5.006 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.919 -6.756 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.836 -5.664 4.519 1.00 0.00 H new ATOM 584 N GLY A 113 -3.574 -9.981 2.114 1.00 0.00 N ATOM 585 CA GLY A 113 -3.137 -11.343 1.697 1.00 0.00 C ATOM 586 C GLY A 113 -1.640 -11.498 1.975 1.00 0.00 C ATOM 587 O GLY A 113 -1.086 -12.574 1.872 1.00 0.00 O ATOM 0 H GLY A 113 -3.870 -9.367 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.701 -12.101 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.340 -11.494 0.637 1.00 0.00 H new ATOM 591 N GLU A 114 -0.980 -10.425 2.322 1.00 0.00 N ATOM 592 CA GLU A 114 0.481 -10.502 2.603 1.00 0.00 C ATOM 593 C GLU A 114 0.707 -10.960 4.046 1.00 0.00 C ATOM 594 O GLU A 114 1.242 -12.023 4.291 1.00 0.00 O ATOM 595 CB GLU A 114 1.108 -9.121 2.408 1.00 0.00 C ATOM 596 CG GLU A 114 1.702 -9.022 1.001 1.00 0.00 C ATOM 597 CD GLU A 114 2.745 -10.124 0.807 1.00 0.00 C ATOM 598 OE1 GLU A 114 3.859 -9.947 1.273 1.00 0.00 O ATOM 599 OE2 GLU A 114 2.413 -11.126 0.194 1.00 0.00 O ATOM 0 H GLU A 114 -1.392 -9.497 2.423 1.00 0.00 H new ATOM 0 HA GLU A 114 0.942 -11.216 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.356 -8.345 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.885 -8.954 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.913 -9.118 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.160 -8.044 0.857 1.00 0.00 H new ATOM 606 N LYS A 115 0.312 -10.165 5.003 1.00 0.00 N ATOM 607 CA LYS A 115 0.516 -10.558 6.426 1.00 0.00 C ATOM 608 C LYS A 115 1.985 -10.917 6.644 1.00 0.00 C ATOM 609 O LYS A 115 2.359 -12.073 6.645 1.00 0.00 O ATOM 610 CB LYS A 115 -0.353 -11.772 6.755 1.00 0.00 C ATOM 611 CG LYS A 115 -1.691 -11.660 6.023 1.00 0.00 C ATOM 612 CD LYS A 115 -2.638 -12.747 6.529 1.00 0.00 C ATOM 613 CE LYS A 115 -2.304 -14.073 5.843 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.387 -14.415 4.880 1.00 0.00 N ATOM 0 H LYS A 115 -0.142 -9.263 4.861 1.00 0.00 H new ATOM 0 HA LYS A 115 0.238 -9.727 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.158 -12.688 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.519 -11.832 7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.128 -10.675 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.540 -11.765 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.545 -12.851 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.672 -12.469 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.350 -13.996 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.199 -14.864 6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.163 -15.316 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.289 -14.504 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.466 -13.664 4.165 1.00 0.00 H new ATOM 628 N LEU A 116 2.828 -9.937 6.824 1.00 0.00 N ATOM 629 CA LEU A 116 4.269 -10.226 7.033 1.00 0.00 C ATOM 630 C LEU A 116 4.697 -9.682 8.404 1.00 0.00 C ATOM 631 O LEU A 116 4.162 -10.073 9.423 1.00 0.00 O ATOM 632 CB LEU A 116 5.074 -9.559 5.914 1.00 0.00 C ATOM 633 CG LEU A 116 4.684 -8.078 5.808 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.885 -7.272 5.318 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.529 -7.919 4.817 1.00 0.00 C ATOM 0 H LEU A 116 2.577 -8.948 6.835 1.00 0.00 H new ATOM 0 HA LEU A 116 4.451 -11.301 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.141 -9.650 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.885 -10.064 4.966 1.00 0.00 H new ATOM 0 HG LEU A 116 4.373 -7.715 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.611 -6.220 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.709 -7.382 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.194 -7.638 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.254 -6.867 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.838 -8.282 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.671 -8.495 5.163 1.00 0.00 H new ATOM 647 N THR A 117 5.646 -8.788 8.441 1.00 0.00 N ATOM 648 CA THR A 117 6.091 -8.223 9.743 1.00 0.00 C ATOM 649 C THR A 117 6.199 -6.705 9.611 1.00 0.00 C ATOM 650 O THR A 117 6.189 -6.174 8.522 1.00 0.00 O ATOM 651 CB THR A 117 7.458 -8.806 10.106 1.00 0.00 C ATOM 652 OG1 THR A 117 7.663 -10.009 9.380 1.00 0.00 O ATOM 653 CG2 THR A 117 7.508 -9.094 11.607 1.00 0.00 C ATOM 0 H THR A 117 6.133 -8.424 7.622 1.00 0.00 H new ATOM 0 HA THR A 117 5.374 -8.474 10.524 1.00 0.00 H new ATOM 0 HB THR A 117 8.241 -8.091 9.852 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.539 -10.384 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.482 -9.509 11.866 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.350 -8.168 12.161 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.728 -9.810 11.866 1.00 0.00 H new ATOM 661 N ASP A 118 6.301 -5.999 10.700 1.00 0.00 N ATOM 662 CA ASP A 118 6.411 -4.517 10.601 1.00 0.00 C ATOM 663 C ASP A 118 7.803 -4.158 10.080 1.00 0.00 C ATOM 664 O ASP A 118 8.010 -3.114 9.494 1.00 0.00 O ATOM 665 CB ASP A 118 6.200 -3.889 11.980 1.00 0.00 C ATOM 666 CG ASP A 118 5.777 -2.427 11.820 1.00 0.00 C ATOM 667 OD1 ASP A 118 6.648 -1.599 11.618 1.00 0.00 O ATOM 668 OD2 ASP A 118 4.588 -2.162 11.900 1.00 0.00 O ATOM 0 H ASP A 118 6.313 -6.378 11.647 1.00 0.00 H new ATOM 0 HA ASP A 118 5.651 -4.136 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.437 -4.441 12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.119 -3.950 12.563 1.00 0.00 H new ATOM 673 N GLU A 119 8.761 -5.022 10.287 1.00 0.00 N ATOM 674 CA GLU A 119 10.140 -4.737 9.801 1.00 0.00 C ATOM 675 C GLU A 119 10.233 -5.075 8.314 1.00 0.00 C ATOM 676 O GLU A 119 10.961 -4.448 7.574 1.00 0.00 O ATOM 677 CB GLU A 119 11.148 -5.579 10.588 1.00 0.00 C ATOM 678 CG GLU A 119 11.208 -5.085 12.037 1.00 0.00 C ATOM 679 CD GLU A 119 12.295 -4.018 12.171 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.461 -4.379 12.147 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.944 -2.856 12.296 1.00 0.00 O ATOM 0 H GLU A 119 8.647 -5.912 10.772 1.00 0.00 H new ATOM 0 HA GLU A 119 10.367 -3.681 9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.858 -6.629 10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.134 -5.509 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.243 -4.674 12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.418 -5.918 12.708 1.00 0.00 H new ATOM 688 N GLU A 120 9.496 -6.055 7.864 1.00 0.00 N ATOM 689 CA GLU A 120 9.547 -6.409 6.418 1.00 0.00 C ATOM 690 C GLU A 120 8.741 -5.375 5.630 1.00 0.00 C ATOM 691 O GLU A 120 9.152 -4.915 4.582 1.00 0.00 O ATOM 692 CB GLU A 120 8.944 -7.800 6.204 1.00 0.00 C ATOM 693 CG GLU A 120 9.716 -8.826 7.035 1.00 0.00 C ATOM 694 CD GLU A 120 10.796 -9.473 6.167 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.451 -10.010 5.127 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.951 -9.417 6.555 1.00 0.00 O ATOM 0 H GLU A 120 8.865 -6.622 8.431 1.00 0.00 H new ATOM 0 HA GLU A 120 10.582 -6.415 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.893 -7.800 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.985 -8.067 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.170 -8.342 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.036 -9.588 7.416 1.00 0.00 H new ATOM 703 N VAL A 121 7.595 -5.007 6.132 1.00 0.00 N ATOM 704 CA VAL A 121 6.752 -4.002 5.427 1.00 0.00 C ATOM 705 C VAL A 121 7.447 -2.644 5.455 1.00 0.00 C ATOM 706 O VAL A 121 7.503 -1.943 4.466 1.00 0.00 O ATOM 707 CB VAL A 121 5.382 -3.893 6.111 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.546 -3.765 7.626 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.642 -2.665 5.574 1.00 0.00 C ATOM 0 H VAL A 121 7.204 -5.361 7.005 1.00 0.00 H new ATOM 0 HA VAL A 121 6.610 -4.318 4.393 1.00 0.00 H new ATOM 0 HB VAL A 121 4.810 -4.796 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.564 -3.689 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.064 -4.643 8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.127 -2.872 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.669 -2.586 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.225 -1.768 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.504 -2.765 4.497 1.00 0.00 H new ATOM 719 N ASP A 122 7.978 -2.268 6.584 1.00 0.00 N ATOM 720 CA ASP A 122 8.670 -0.954 6.678 1.00 0.00 C ATOM 721 C ASP A 122 9.935 -0.981 5.818 1.00 0.00 C ATOM 722 O ASP A 122 10.253 -0.030 5.133 1.00 0.00 O ATOM 723 CB ASP A 122 9.044 -0.683 8.136 1.00 0.00 C ATOM 724 CG ASP A 122 9.384 0.797 8.307 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.965 1.360 7.395 1.00 0.00 O ATOM 726 OD2 ASP A 122 9.057 1.343 9.349 1.00 0.00 O ATOM 0 H ASP A 122 7.963 -2.814 7.446 1.00 0.00 H new ATOM 0 HA ASP A 122 8.009 -0.165 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.217 -0.955 8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.896 -1.299 8.425 1.00 0.00 H new ATOM 731 N GLU A 123 10.656 -2.068 5.842 1.00 0.00 N ATOM 732 CA GLU A 123 11.894 -2.160 5.020 1.00 0.00 C ATOM 733 C GLU A 123 11.515 -2.526 3.585 1.00 0.00 C ATOM 734 O GLU A 123 12.352 -2.582 2.706 1.00 0.00 O ATOM 735 CB GLU A 123 12.812 -3.239 5.598 1.00 0.00 C ATOM 736 CG GLU A 123 14.272 -2.856 5.346 1.00 0.00 C ATOM 737 CD GLU A 123 14.716 -1.819 6.380 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.988 -1.619 7.339 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.774 -1.242 6.194 1.00 0.00 O ATOM 0 H GLU A 123 10.441 -2.897 6.396 1.00 0.00 H new ATOM 0 HA GLU A 123 12.414 -1.202 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.633 -3.349 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.593 -4.202 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.906 -3.740 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.384 -2.452 4.340 1.00 0.00 H new ATOM 746 N MET A 124 10.255 -2.776 3.341 1.00 0.00 N ATOM 747 CA MET A 124 9.818 -3.135 1.965 1.00 0.00 C ATOM 748 C MET A 124 9.217 -1.901 1.292 1.00 0.00 C ATOM 749 O MET A 124 9.075 -1.848 0.088 1.00 0.00 O ATOM 750 CB MET A 124 8.765 -4.243 2.038 1.00 0.00 C ATOM 751 CG MET A 124 8.224 -4.529 0.637 1.00 0.00 C ATOM 752 SD MET A 124 8.367 -6.298 0.284 1.00 0.00 S ATOM 753 CE MET A 124 10.172 -6.363 0.184 1.00 0.00 C ATOM 0 H MET A 124 9.511 -2.746 4.038 1.00 0.00 H new ATOM 0 HA MET A 124 10.673 -3.487 1.387 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.202 -5.147 2.461 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.952 -3.943 2.699 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.182 -4.217 0.567 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.780 -3.954 -0.103 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.471 -7.195 -0.453 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.547 -5.430 -0.238 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.587 -6.502 1.182 1.00 0.00 H new ATOM 763 N ILE A 125 8.864 -0.906 2.061 1.00 0.00 N ATOM 764 CA ILE A 125 8.279 0.322 1.459 1.00 0.00 C ATOM 765 C ILE A 125 9.348 1.008 0.604 1.00 0.00 C ATOM 766 O ILE A 125 9.047 1.687 -0.353 1.00 0.00 O ATOM 767 CB ILE A 125 7.770 1.250 2.582 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.243 1.255 2.557 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.278 2.687 2.397 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.709 0.574 3.817 1.00 0.00 C ATOM 0 H ILE A 125 8.956 -0.892 3.077 1.00 0.00 H new ATOM 0 HA ILE A 125 7.432 0.073 0.820 1.00 0.00 H new ATOM 0 HB ILE A 125 8.144 0.877 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.873 2.279 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.882 0.736 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.900 3.313 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.368 2.692 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.927 3.077 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.619 0.578 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.068 -0.455 3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.059 1.112 4.698 1.00 0.00 H new ATOM 782 N ARG A 126 10.595 0.822 0.927 1.00 0.00 N ATOM 783 CA ARG A 126 11.666 1.452 0.113 1.00 0.00 C ATOM 784 C ARG A 126 11.426 1.112 -1.360 1.00 0.00 C ATOM 785 O ARG A 126 11.920 1.773 -2.252 1.00 0.00 O ATOM 786 CB ARG A 126 13.025 0.911 0.561 1.00 0.00 C ATOM 787 CG ARG A 126 12.884 -0.558 0.965 1.00 0.00 C ATOM 788 CD ARG A 126 14.245 -1.249 0.852 1.00 0.00 C ATOM 789 NE ARG A 126 15.216 -0.586 1.767 1.00 0.00 N ATOM 790 CZ ARG A 126 16.468 -0.952 1.765 1.00 0.00 C ATOM 791 NH1 ARG A 126 17.130 -1.009 0.642 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.059 -1.262 2.887 1.00 0.00 N ATOM 0 H ARG A 126 10.918 0.263 1.717 1.00 0.00 H new ATOM 0 HA ARG A 126 11.655 2.534 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.751 1.009 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.402 1.495 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.510 -0.631 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.157 -1.055 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.151 -2.305 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.605 -1.200 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 126 14.902 0.154 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.668 -0.767 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.109 -1.295 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.542 -1.218 3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.038 -1.548 2.886 1.00 0.00 H new ATOM 806 N GLU A 127 10.666 0.082 -1.618 1.00 0.00 N ATOM 807 CA GLU A 127 10.381 -0.311 -3.024 1.00 0.00 C ATOM 808 C GLU A 127 9.195 0.497 -3.562 1.00 0.00 C ATOM 809 O GLU A 127 9.163 0.870 -4.717 1.00 0.00 O ATOM 810 CB GLU A 127 10.032 -1.799 -3.059 1.00 0.00 C ATOM 811 CG GLU A 127 9.621 -2.197 -4.478 1.00 0.00 C ATOM 812 CD GLU A 127 9.614 -3.722 -4.600 1.00 0.00 C ATOM 813 OE1 GLU A 127 10.418 -4.353 -3.936 1.00 0.00 O ATOM 814 OE2 GLU A 127 8.805 -4.232 -5.357 1.00 0.00 O ATOM 0 H GLU A 127 10.228 -0.507 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 127 11.257 -0.114 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.889 -2.391 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.221 -2.009 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.632 -1.799 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.313 -1.767 -5.202 1.00 0.00 H new ATOM 821 N ALA A 128 8.210 0.756 -2.740 1.00 0.00 N ATOM 822 CA ALA A 128 7.023 1.523 -3.220 1.00 0.00 C ATOM 823 C ALA A 128 7.261 3.029 -3.072 1.00 0.00 C ATOM 824 O ALA A 128 7.185 3.772 -4.030 1.00 0.00 O ATOM 825 CB ALA A 128 5.797 1.123 -2.396 1.00 0.00 C ATOM 0 H ALA A 128 8.177 0.471 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 128 6.858 1.294 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.927 1.681 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.613 0.055 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.976 1.348 -1.345 1.00 0.00 H new ATOM 831 N ASP A 129 7.522 3.490 -1.880 1.00 0.00 N ATOM 832 CA ASP A 129 7.739 4.952 -1.671 1.00 0.00 C ATOM 833 C ASP A 129 9.222 5.306 -1.833 1.00 0.00 C ATOM 834 O ASP A 129 10.064 4.852 -1.084 1.00 0.00 O ATOM 835 CB ASP A 129 7.286 5.329 -0.259 1.00 0.00 C ATOM 836 CG ASP A 129 7.733 6.758 0.056 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.857 7.538 -0.873 1.00 0.00 O ATOM 838 OD2 ASP A 129 7.945 7.048 1.222 1.00 0.00 O ATOM 0 H ASP A 129 7.595 2.917 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 129 7.162 5.503 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.202 5.250 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.710 4.636 0.468 1.00 0.00 H new ATOM 893 N GLY A 134 3.988 11.597 -1.848 1.00 0.00 N ATOM 894 CA GLY A 134 2.889 10.823 -1.202 1.00 0.00 C ATOM 895 C GLY A 134 3.482 9.637 -0.439 1.00 0.00 C ATOM 896 O GLY A 134 2.801 8.684 -0.128 1.00 0.00 O ATOM 0 HA2 GLY A 134 2.329 11.464 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.186 10.469 -1.957 1.00 0.00 H new ATOM 900 N GLN A 135 4.748 9.680 -0.130 1.00 0.00 N ATOM 901 CA GLN A 135 5.352 8.542 0.614 1.00 0.00 C ATOM 902 C GLN A 135 4.974 7.234 -0.099 1.00 0.00 C ATOM 903 O GLN A 135 5.432 6.971 -1.193 1.00 0.00 O ATOM 904 CB GLN A 135 4.809 8.550 2.042 1.00 0.00 C ATOM 905 CG GLN A 135 5.640 9.508 2.898 1.00 0.00 C ATOM 906 CD GLN A 135 4.920 9.763 4.223 1.00 0.00 C ATOM 907 OE1 GLN A 135 3.756 9.448 4.367 1.00 0.00 O ATOM 908 NE2 GLN A 135 5.569 10.327 5.206 1.00 0.00 N ATOM 0 H GLN A 135 5.384 10.445 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 135 6.438 8.629 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.763 8.858 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.846 7.545 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.627 9.084 3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.792 10.448 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.547 10.592 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.098 10.503 6.094 1.00 0.00 H new ATOM 917 N VAL A 136 4.129 6.420 0.485 1.00 0.00 N ATOM 918 CA VAL A 136 3.729 5.161 -0.206 1.00 0.00 C ATOM 919 C VAL A 136 2.315 5.339 -0.733 1.00 0.00 C ATOM 920 O VAL A 136 1.351 5.071 -0.051 1.00 0.00 O ATOM 921 CB VAL A 136 3.744 3.973 0.755 1.00 0.00 C ATOM 922 CG1 VAL A 136 4.239 2.741 -0.001 1.00 0.00 C ATOM 923 CG2 VAL A 136 4.671 4.257 1.941 1.00 0.00 C ATOM 0 H VAL A 136 3.705 6.572 1.400 1.00 0.00 H new ATOM 0 HA VAL A 136 4.435 4.962 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 136 2.738 3.802 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.256 1.884 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.570 2.534 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.245 2.925 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.671 3.401 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.684 4.432 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.319 5.140 2.474 1.00 0.00 H new ATOM 933 N ASN A 137 2.176 5.802 -1.933 1.00 0.00 N ATOM 934 CA ASN A 137 0.812 6.009 -2.471 1.00 0.00 C ATOM 935 C ASN A 137 0.171 4.668 -2.802 1.00 0.00 C ATOM 936 O ASN A 137 0.842 3.698 -3.078 1.00 0.00 O ATOM 937 CB ASN A 137 0.872 6.885 -3.715 1.00 0.00 C ATOM 938 CG ASN A 137 1.949 6.366 -4.673 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.594 5.675 -5.719 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 3.124 6.598 -4.469 1.00 0.00 N flip ATOM 0 H ASN A 137 2.941 6.045 -2.563 1.00 0.00 H new ATOM 0 HA ASN A 137 0.205 6.510 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.097 6.889 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 137 1.090 7.915 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 137 3.402 7.139 -3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 137 3.832 6.252 -5.116 1.00 0.00 H new ATOM 947 N TYR A 138 -1.131 4.611 -2.765 1.00 0.00 N ATOM 948 CA TYR A 138 -1.844 3.340 -3.066 1.00 0.00 C ATOM 949 C TYR A 138 -1.256 2.697 -4.318 1.00 0.00 C ATOM 950 O TYR A 138 -1.033 1.505 -4.377 1.00 0.00 O ATOM 951 CB TYR A 138 -3.313 3.642 -3.347 1.00 0.00 C ATOM 952 CG TYR A 138 -4.070 3.883 -2.065 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.462 4.527 -0.980 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.401 3.473 -1.978 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.190 4.756 0.191 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.132 3.706 -0.810 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.525 4.347 0.275 1.00 0.00 C ATOM 958 OH TYR A 138 -6.243 4.585 1.424 1.00 0.00 O ATOM 0 H TYR A 138 -1.737 5.399 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.740 2.670 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.391 4.519 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.762 2.809 -3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.432 4.846 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.867 2.975 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.722 5.248 1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.163 3.392 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.883 4.039 2.154 1.00 0.00 H new ATOM 968 N GLU A 139 -1.039 3.482 -5.333 1.00 0.00 N ATOM 969 CA GLU A 139 -0.506 2.927 -6.604 1.00 0.00 C ATOM 970 C GLU A 139 0.816 2.196 -6.354 1.00 0.00 C ATOM 971 O GLU A 139 1.066 1.143 -6.907 1.00 0.00 O ATOM 972 CB GLU A 139 -0.274 4.057 -7.615 1.00 0.00 C ATOM 973 CG GLU A 139 -1.334 5.144 -7.436 1.00 0.00 C ATOM 974 CD GLU A 139 -1.534 5.888 -8.758 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.769 5.227 -9.757 1.00 0.00 O ATOM 976 OE2 GLU A 139 -1.450 7.104 -8.750 1.00 0.00 O ATOM 0 H GLU A 139 -1.209 4.488 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.236 2.223 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.721 4.481 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.314 3.662 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.275 4.699 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.026 5.842 -6.657 1.00 0.00 H new ATOM 983 N GLU A 140 1.665 2.742 -5.529 1.00 0.00 N ATOM 984 CA GLU A 140 2.966 2.072 -5.250 1.00 0.00 C ATOM 985 C GLU A 140 2.803 1.143 -4.049 1.00 0.00 C ATOM 986 O GLU A 140 3.698 0.403 -3.692 1.00 0.00 O ATOM 987 CB GLU A 140 4.031 3.127 -4.947 1.00 0.00 C ATOM 988 CG GLU A 140 4.473 3.794 -6.251 1.00 0.00 C ATOM 989 CD GLU A 140 6.001 3.838 -6.311 1.00 0.00 C ATOM 990 OE1 GLU A 140 6.600 2.781 -6.418 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.546 4.928 -6.250 1.00 0.00 O ATOM 0 H GLU A 140 1.515 3.622 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 140 3.275 1.493 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.633 3.874 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.886 2.665 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.081 3.242 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.067 4.804 -6.311 1.00 0.00 H new ATOM 998 N PHE A 141 1.658 1.174 -3.428 1.00 0.00 N ATOM 999 CA PHE A 141 1.412 0.300 -2.258 1.00 0.00 C ATOM 1000 C PHE A 141 0.943 -1.066 -2.756 1.00 0.00 C ATOM 1001 O PHE A 141 1.178 -2.085 -2.136 1.00 0.00 O ATOM 1002 CB PHE A 141 0.325 0.936 -1.393 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.141 -0.057 -0.363 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.787 -0.889 0.268 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.498 -0.146 -0.038 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.359 -1.812 1.226 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.928 -1.068 0.921 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.998 -1.903 1.554 1.00 0.00 C ATOM 0 H PHE A 141 0.876 1.776 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 141 2.322 0.180 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.712 1.830 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.513 1.251 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.835 -0.819 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.214 0.497 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.076 -2.456 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.976 -1.136 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.328 -2.616 2.295 1.00 0.00 H new ATOM 1018 N VAL A 142 0.286 -1.087 -3.882 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.201 -2.371 -4.449 1.00 0.00 C ATOM 1020 C VAL A 142 1.000 -3.239 -4.833 1.00 0.00 C ATOM 1021 O VAL A 142 0.873 -4.423 -5.069 1.00 0.00 O ATOM 1022 CB VAL A 142 -1.044 -2.074 -5.692 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.326 -1.034 -6.557 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.246 -3.359 -6.499 1.00 0.00 C ATOM 0 H VAL A 142 0.065 -0.261 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.807 -2.901 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.015 -1.686 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.925 -0.821 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.187 -0.117 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.646 -1.422 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.846 -3.143 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.277 -3.752 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.759 -4.098 -5.884 1.00 0.00 H new ATOM 1034 N GLN A 143 2.166 -2.655 -4.900 1.00 0.00 N ATOM 1035 CA GLN A 143 3.375 -3.442 -5.270 1.00 0.00 C ATOM 1036 C GLN A 143 3.817 -4.298 -4.081 1.00 0.00 C ATOM 1037 O GLN A 143 4.494 -5.294 -4.240 1.00 0.00 O ATOM 1038 CB GLN A 143 4.505 -2.486 -5.657 1.00 0.00 C ATOM 1039 CG GLN A 143 5.735 -3.292 -6.083 1.00 0.00 C ATOM 1040 CD GLN A 143 6.405 -2.609 -7.275 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.795 -3.260 -8.224 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.557 -1.313 -7.268 1.00 0.00 N ATOM 0 H GLN A 143 2.333 -1.666 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 143 3.139 -4.091 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.183 -1.837 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.754 -1.841 -4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.437 -3.370 -5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.443 -4.308 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.230 -0.765 -6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.003 -0.848 -8.059 1.00 0.00 H new ATOM 1051 N MET A 144 3.441 -3.920 -2.889 1.00 0.00 N ATOM 1052 CA MET A 144 3.844 -4.717 -1.696 1.00 0.00 C ATOM 1053 C MET A 144 2.927 -5.931 -1.570 1.00 0.00 C ATOM 1054 O MET A 144 3.356 -7.019 -1.243 1.00 0.00 O ATOM 1055 CB MET A 144 3.717 -3.871 -0.424 1.00 0.00 C ATOM 1056 CG MET A 144 4.156 -2.431 -0.697 1.00 0.00 C ATOM 1057 SD MET A 144 5.790 -2.151 0.032 1.00 0.00 S ATOM 1058 CE MET A 144 6.764 -2.514 -1.451 1.00 0.00 C ATOM 0 H MET A 144 2.874 -3.096 -2.690 1.00 0.00 H new ATOM 0 HA MET A 144 4.880 -5.034 -1.817 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.685 -3.883 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.329 -4.301 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.188 -2.247 -1.771 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.433 -1.733 -0.275 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.530 -3.252 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.110 -2.909 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.240 -1.600 -1.807 1.00 0.00 H new ATOM 1068 N MET A 145 1.660 -5.747 -1.819 1.00 0.00 N ATOM 1069 CA MET A 145 0.705 -6.880 -1.703 1.00 0.00 C ATOM 1070 C MET A 145 0.879 -7.832 -2.888 1.00 0.00 C ATOM 1071 O MET A 145 0.441 -8.966 -2.853 1.00 0.00 O ATOM 1072 CB MET A 145 -0.725 -6.338 -1.686 1.00 0.00 C ATOM 1073 CG MET A 145 -0.965 -5.480 -2.930 1.00 0.00 C ATOM 1074 SD MET A 145 -2.626 -5.809 -3.571 1.00 0.00 S ATOM 1075 CE MET A 145 -3.477 -5.864 -1.974 1.00 0.00 C ATOM 0 H MET A 145 1.246 -4.858 -2.098 1.00 0.00 H new ATOM 0 HA MET A 145 0.901 -7.423 -0.779 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.437 -7.163 -1.658 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.889 -5.745 -0.786 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.860 -4.423 -2.683 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.218 -5.705 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.539 -5.667 -2.121 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.349 -6.850 -1.527 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.056 -5.108 -1.311 1.00 0.00 H new ATOM 1085 N THR A 146 1.515 -7.387 -3.937 1.00 0.00 N ATOM 1086 CA THR A 146 1.710 -8.277 -5.118 1.00 0.00 C ATOM 1087 C THR A 146 3.051 -7.960 -5.785 1.00 0.00 C ATOM 1088 O THR A 146 3.186 -8.032 -6.990 1.00 0.00 O ATOM 1089 CB THR A 146 0.575 -8.056 -6.121 1.00 0.00 C ATOM 1090 OG1 THR A 146 0.864 -8.758 -7.322 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.439 -6.563 -6.423 1.00 0.00 C ATOM 0 H THR A 146 1.907 -6.450 -4.028 1.00 0.00 H new ATOM 0 HA THR A 146 1.706 -9.316 -4.790 1.00 0.00 H new ATOM 0 HB THR A 146 -0.359 -8.425 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 146 1.690 -8.407 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 146 -0.370 -6.408 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.217 -6.024 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.372 -6.191 -6.845 1.00 0.00 H new