USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 94 MET CE :methyl -115:sc= -0.405 (180deg=-2.86!) USER MOD Set 1.2: A 105 CYS SG : rot -170:sc= -5.85! USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0.219 USER MOD Set 2.2: A 84 SER OG : rot -46:sc= 0.097 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 99 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= -3.2! (180deg=-5.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -13:sc= 0.858 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 25 ASN : amide:sc= -4.36! C(o=-4.4!,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.203 (180deg=-0.781) USER MOD Single : A 29 CYS SG : rot 111:sc= -0.705 USER MOD Single : A 34 TYR OH : rot 104:sc= 0.466 USER MOD Single : A 35 SER OG : rot 180:sc= -2.01! USER MOD Single : A 36 SER OG : rot 180:sc= 0.107 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.83 F(o=-2.4!,f=-0.83) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.779 F(o=-2.8!,f=-0.78) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.463 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= 0 (180deg=-1) USER MOD Single : A 91 SER OG : rot 180:sc= -1.46! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 CYS SG : rot -29:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -1.953 7.398 -9.310 1.00 0.00 N ATOM 113 CA LYS A 9 -2.860 7.890 -8.262 1.00 0.00 C ATOM 114 C LYS A 9 -2.482 7.425 -6.853 1.00 0.00 C ATOM 115 O LYS A 9 -1.857 8.166 -6.091 1.00 0.00 O ATOM 116 CB LYS A 9 -4.306 7.483 -8.563 1.00 0.00 C ATOM 117 CG LYS A 9 -4.482 6.724 -9.870 1.00 0.00 C ATOM 118 CD LYS A 9 -4.262 5.231 -9.678 1.00 0.00 C ATOM 119 CE LYS A 9 -5.486 4.561 -9.077 1.00 0.00 C ATOM 120 NZ LYS A 9 -6.561 4.364 -10.087 1.00 0.00 N ATOM 0 HA LYS A 9 -2.764 8.976 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.675 6.865 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.926 8.379 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.484 6.898 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.779 7.105 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.028 4.770 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.402 5.069 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.202 3.597 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.866 5.168 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.489 4.500 -9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.445 5.054 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.502 3.400 -10.474 1.00 0.00 H new ATOM 134 N ALA A 10 -2.898 6.216 -6.495 1.00 0.00 N ATOM 135 CA ALA A 10 -2.634 5.682 -5.168 1.00 0.00 C ATOM 136 C ALA A 10 -1.148 5.449 -4.925 1.00 0.00 C ATOM 137 O ALA A 10 -0.616 4.384 -5.237 1.00 0.00 O ATOM 138 CB ALA A 10 -3.414 4.398 -4.948 1.00 0.00 C ATOM 0 H ALA A 10 -3.420 5.588 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.966 6.430 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.205 4.012 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.481 4.600 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.117 3.660 -5.693 1.00 0.00 H new ATOM 144 N ILE A 11 -0.488 6.459 -4.363 1.00 0.00 N ATOM 145 CA ILE A 11 0.936 6.381 -4.069 1.00 0.00 C ATOM 146 C ILE A 11 1.187 6.310 -2.567 1.00 0.00 C ATOM 147 O ILE A 11 1.060 7.309 -1.860 1.00 0.00 O ATOM 148 CB ILE A 11 1.689 7.604 -4.630 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.154 7.986 -6.014 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.183 7.327 -4.685 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.020 6.818 -6.969 1.00 0.00 C ATOM 0 H ILE A 11 -0.922 7.344 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 11 1.305 5.473 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 11 1.520 8.448 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.179 8.459 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.818 8.729 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.700 8.200 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.551 7.114 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.370 6.469 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.635 7.172 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.996 6.357 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.332 6.083 -6.551 1.00 0.00 H new ATOM 163 N PHE A 12 1.561 5.129 -2.089 1.00 0.00 N ATOM 164 CA PHE A 12 1.850 4.939 -0.674 1.00 0.00 C ATOM 165 C PHE A 12 3.327 4.614 -0.483 1.00 0.00 C ATOM 166 O PHE A 12 3.785 3.532 -0.842 1.00 0.00 O ATOM 167 CB PHE A 12 0.989 3.810 -0.099 1.00 0.00 C ATOM 168 CG PHE A 12 -0.362 4.264 0.384 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.417 4.405 -0.501 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.573 4.547 1.725 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.659 4.819 -0.059 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.813 4.962 2.173 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.858 5.097 1.278 1.00 0.00 C ATOM 0 H PHE A 12 1.671 4.291 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 12 1.615 5.862 -0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.853 3.044 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.523 3.344 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.268 4.189 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.241 4.442 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.474 4.925 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.965 5.180 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.829 5.420 1.625 1.00 0.00 H new ATOM 183 N THR A 13 4.071 5.562 0.075 1.00 0.00 N ATOM 184 CA THR A 13 5.499 5.372 0.300 1.00 0.00 C ATOM 185 C THR A 13 5.782 4.902 1.720 1.00 0.00 C ATOM 186 O THR A 13 5.368 5.539 2.686 1.00 0.00 O ATOM 187 CB THR A 13 6.288 6.665 0.033 1.00 0.00 C ATOM 188 OG1 THR A 13 5.901 7.225 -1.229 1.00 0.00 O ATOM 189 CG2 THR A 13 7.785 6.393 0.033 1.00 0.00 C ATOM 0 H THR A 13 3.711 6.467 0.379 1.00 0.00 H new ATOM 0 HA THR A 13 5.824 4.604 -0.402 1.00 0.00 H new ATOM 0 HB THR A 13 6.061 7.374 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.407 8.049 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.323 7.321 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.082 5.994 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.023 5.669 -0.746 1.00 0.00 H new ATOM 197 N VAL A 14 6.485 3.778 1.835 1.00 0.00 N ATOM 198 CA VAL A 14 6.830 3.206 3.134 1.00 0.00 C ATOM 199 C VAL A 14 8.244 2.624 3.111 1.00 0.00 C ATOM 200 O VAL A 14 8.890 2.595 2.067 1.00 0.00 O ATOM 201 CB VAL A 14 5.838 2.094 3.555 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.440 2.385 3.041 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.301 0.729 3.065 1.00 0.00 C ATOM 0 H VAL A 14 6.829 3.242 1.038 1.00 0.00 H new ATOM 0 HA VAL A 14 6.775 4.017 3.860 1.00 0.00 H new ATOM 0 HB VAL A 14 5.810 2.079 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.765 1.588 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.093 3.334 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.457 2.442 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.585 -0.031 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.372 0.738 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.278 0.502 3.491 1.00 0.00 H new ATOM 213 N ASP A 15 8.708 2.148 4.265 1.00 0.00 N ATOM 214 CA ASP A 15 10.033 1.541 4.372 1.00 0.00 C ATOM 215 C ASP A 15 9.918 0.023 4.257 1.00 0.00 C ATOM 216 O ASP A 15 8.850 -0.536 4.493 1.00 0.00 O ATOM 217 CB ASP A 15 10.694 1.919 5.700 1.00 0.00 C ATOM 218 CG ASP A 15 11.193 3.351 5.716 1.00 0.00 C ATOM 219 OD1 ASP A 15 11.134 4.014 4.659 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.647 3.809 6.785 1.00 0.00 O ATOM 0 H ASP A 15 8.185 2.171 5.140 1.00 0.00 H new ATOM 0 HA ASP A 15 10.655 1.916 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.979 1.778 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.529 1.245 5.891 1.00 0.00 H new ATOM 225 N ALA A 16 11.000 -0.650 3.882 1.00 0.00 N ATOM 226 CA ALA A 16 10.963 -2.102 3.732 1.00 0.00 C ATOM 227 C ALA A 16 11.308 -2.820 5.027 1.00 0.00 C ATOM 228 O ALA A 16 10.923 -3.972 5.223 1.00 0.00 O ATOM 229 CB ALA A 16 11.898 -2.539 2.614 1.00 0.00 C ATOM 0 H ALA A 16 11.903 -0.222 3.678 1.00 0.00 H new ATOM 0 HA ALA A 16 9.941 -2.379 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.861 -3.624 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.587 -2.076 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.917 -2.231 2.850 1.00 0.00 H new ATOM 235 N LYS A 17 12.022 -2.142 5.909 1.00 0.00 N ATOM 236 CA LYS A 17 12.392 -2.738 7.182 1.00 0.00 C ATOM 237 C LYS A 17 11.156 -2.910 8.057 1.00 0.00 C ATOM 238 O LYS A 17 10.754 -4.029 8.374 1.00 0.00 O ATOM 239 CB LYS A 17 13.427 -1.870 7.899 1.00 0.00 C ATOM 240 CG LYS A 17 14.728 -2.596 8.199 1.00 0.00 C ATOM 241 CD LYS A 17 15.935 -1.718 7.916 1.00 0.00 C ATOM 242 CE LYS A 17 16.043 -0.577 8.916 1.00 0.00 C ATOM 243 NZ LYS A 17 17.318 0.177 8.765 1.00 0.00 N ATOM 0 H LYS A 17 12.355 -1.188 5.770 1.00 0.00 H new ATOM 0 HA LYS A 17 12.832 -3.717 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.642 -0.995 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.999 -1.507 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.740 -2.906 9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.787 -3.502 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.842 -2.322 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.862 -1.313 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.202 0.103 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.974 -0.974 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.352 0.946 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.121 -0.466 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.373 0.578 7.807 1.00 0.00 H new ATOM 257 N THR A 18 10.577 -1.786 8.464 1.00 0.00 N ATOM 258 CA THR A 18 9.405 -1.821 9.328 1.00 0.00 C ATOM 259 C THR A 18 8.131 -1.328 8.656 1.00 0.00 C ATOM 260 O THR A 18 7.056 -1.387 9.256 1.00 0.00 O ATOM 261 CB THR A 18 9.638 -1.028 10.627 1.00 0.00 C ATOM 262 OG1 THR A 18 8.467 -1.079 11.453 1.00 0.00 O ATOM 263 CG2 THR A 18 9.984 0.421 10.321 1.00 0.00 C ATOM 0 H THR A 18 10.896 -0.850 8.213 1.00 0.00 H new ATOM 0 HA THR A 18 9.259 -2.876 9.561 1.00 0.00 H new ATOM 0 HB THR A 18 10.475 -1.483 11.157 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.711 -1.418 10.929 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.144 0.962 11.254 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.892 0.459 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.164 0.882 9.770 1.00 0.00 H new ATOM 271 N THR A 19 8.257 -0.827 7.437 1.00 0.00 N ATOM 272 CA THR A 19 7.112 -0.301 6.691 1.00 0.00 C ATOM 273 C THR A 19 6.801 1.130 7.129 1.00 0.00 C ATOM 274 O THR A 19 7.594 2.035 6.877 1.00 0.00 O ATOM 275 CB THR A 19 5.852 -1.188 6.843 1.00 0.00 C ATOM 276 OG1 THR A 19 6.225 -2.570 6.861 1.00 0.00 O ATOM 277 CG2 THR A 19 4.870 -0.941 5.706 1.00 0.00 C ATOM 0 H THR A 19 9.144 -0.771 6.936 1.00 0.00 H new ATOM 0 HA THR A 19 7.389 -0.306 5.637 1.00 0.00 H new ATOM 0 HB THR A 19 5.367 -0.928 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.423 -3.124 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.994 -1.577 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.563 0.105 5.711 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.348 -1.174 4.755 1.00 0.00 H new ATOM 285 N GLU A 20 5.657 1.336 7.785 1.00 0.00 N ATOM 286 CA GLU A 20 5.272 2.669 8.243 1.00 0.00 C ATOM 287 C GLU A 20 5.238 3.646 7.071 1.00 0.00 C ATOM 288 O GLU A 20 6.273 4.156 6.645 1.00 0.00 O ATOM 289 CB GLU A 20 6.246 3.169 9.313 1.00 0.00 C ATOM 290 CG GLU A 20 5.596 3.402 10.668 1.00 0.00 C ATOM 291 CD GLU A 20 6.477 4.198 11.609 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.711 4.018 11.563 1.00 0.00 O ATOM 293 OE2 GLU A 20 5.932 5.002 12.394 1.00 0.00 O ATOM 0 H GLU A 20 4.986 0.601 8.009 1.00 0.00 H new ATOM 0 HA GLU A 20 4.274 2.607 8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.052 2.444 9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.700 4.100 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.652 3.928 10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.360 2.440 11.124 1.00 0.00 H new ATOM 300 N ILE A 21 4.041 3.890 6.549 1.00 0.00 N ATOM 301 CA ILE A 21 3.873 4.792 5.414 1.00 0.00 C ATOM 302 C ILE A 21 4.481 6.163 5.690 1.00 0.00 C ATOM 303 O ILE A 21 3.933 6.958 6.456 1.00 0.00 O ATOM 304 CB ILE A 21 2.389 4.967 5.029 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.562 3.761 5.480 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.261 5.162 3.528 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.252 4.136 6.134 1.00 0.00 C ATOM 0 H ILE A 21 3.174 3.477 6.892 1.00 0.00 H new ATOM 0 HA ILE A 21 4.400 4.328 4.580 1.00 0.00 H new ATOM 0 HB ILE A 21 2.004 5.851 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.359 3.127 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.151 3.168 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.210 5.285 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.816 6.051 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.665 4.291 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.280 3.231 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.447 4.745 7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.357 4.703 5.430 1.00 0.00 H new ATOM 319 N LEU A 22 5.618 6.428 5.054 1.00 0.00 N ATOM 320 CA LEU A 22 6.320 7.696 5.215 1.00 0.00 C ATOM 321 C LEU A 22 5.438 8.873 4.801 1.00 0.00 C ATOM 322 O LEU A 22 5.462 9.925 5.440 1.00 0.00 O ATOM 323 CB LEU A 22 7.616 7.698 4.396 1.00 0.00 C ATOM 324 CG LEU A 22 8.266 6.325 4.185 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.461 6.437 3.252 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.688 5.722 5.519 1.00 0.00 C ATOM 0 H LEU A 22 6.075 5.775 4.417 1.00 0.00 H new ATOM 0 HA LEU A 22 6.566 7.809 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.408 8.136 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.337 8.350 4.890 1.00 0.00 H new ATOM 0 HG LEU A 22 7.530 5.665 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.909 5.453 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.134 6.825 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.198 7.114 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.147 4.748 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.406 6.382 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.813 5.604 6.158 1.00 0.00 H new ATOM 338 N VAL A 23 4.655 8.691 3.734 1.00 0.00 N ATOM 339 CA VAL A 23 3.766 9.747 3.250 1.00 0.00 C ATOM 340 C VAL A 23 2.941 9.282 2.049 1.00 0.00 C ATOM 341 O VAL A 23 3.288 8.306 1.382 1.00 0.00 O ATOM 342 CB VAL A 23 4.557 11.025 2.870 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.665 11.191 1.357 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.913 12.252 3.499 1.00 0.00 C ATOM 0 H VAL A 23 4.619 7.827 3.193 1.00 0.00 H new ATOM 0 HA VAL A 23 3.088 9.983 4.070 1.00 0.00 H new ATOM 0 HB VAL A 23 5.569 10.919 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.226 12.098 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.180 10.329 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.666 11.265 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.479 13.142 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.888 12.349 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.910 12.146 4.584 1.00 0.00 H new ATOM 354 N ALA A 24 1.857 10.003 1.775 1.00 0.00 N ATOM 355 CA ALA A 24 0.981 9.692 0.650 1.00 0.00 C ATOM 356 C ALA A 24 0.506 10.980 -0.015 1.00 0.00 C ATOM 357 O ALA A 24 0.689 12.068 0.529 1.00 0.00 O ATOM 358 CB ALA A 24 -0.202 8.857 1.107 1.00 0.00 C ATOM 0 H ALA A 24 1.563 10.813 2.322 1.00 0.00 H new ATOM 0 HA ALA A 24 1.544 9.110 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.843 8.636 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.157 7.924 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.771 9.410 1.854 1.00 0.00 H new ATOM 364 N ASN A 25 -0.071 10.868 -1.209 1.00 0.00 N ATOM 365 CA ASN A 25 -0.520 12.051 -1.938 1.00 0.00 C ATOM 366 C ASN A 25 -2.038 12.236 -1.921 1.00 0.00 C ATOM 367 O ASN A 25 -2.778 11.455 -1.321 1.00 0.00 O ATOM 368 CB ASN A 25 -0.024 11.997 -3.384 1.00 0.00 C ATOM 369 CG ASN A 25 -0.476 10.742 -4.109 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.477 9.649 -3.543 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.868 10.894 -5.366 1.00 0.00 N ATOM 0 H ASN A 25 -0.237 9.982 -1.687 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.092 12.910 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.386 12.873 -3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.065 12.045 -3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.186 10.087 -5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.851 11.818 -5.797 1.00 0.00 H new ATOM 378 N ASP A 26 -2.470 13.300 -2.596 1.00 0.00 N ATOM 379 CA ASP A 26 -3.883 13.666 -2.696 1.00 0.00 C ATOM 380 C ASP A 26 -4.660 12.690 -3.568 1.00 0.00 C ATOM 381 O ASP A 26 -5.886 12.774 -3.662 1.00 0.00 O ATOM 382 CB ASP A 26 -4.027 15.085 -3.252 1.00 0.00 C ATOM 383 CG ASP A 26 -3.685 16.149 -2.227 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.922 15.848 -1.286 1.00 0.00 O ATOM 385 OD2 ASP A 26 -4.182 17.287 -2.368 1.00 0.00 O ATOM 0 H ASP A 26 -1.846 13.937 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.302 13.625 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.377 15.199 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.050 15.234 -3.598 1.00 0.00 H new ATOM 390 N LYS A 27 -3.958 11.749 -4.182 1.00 0.00 N ATOM 391 CA LYS A 27 -4.607 10.746 -5.012 1.00 0.00 C ATOM 392 C LYS A 27 -4.879 9.512 -4.168 1.00 0.00 C ATOM 393 O LYS A 27 -6.031 9.173 -3.899 1.00 0.00 O ATOM 394 CB LYS A 27 -3.730 10.393 -6.209 1.00 0.00 C ATOM 395 CG LYS A 27 -4.203 11.009 -7.512 1.00 0.00 C ATOM 396 CD LYS A 27 -3.237 12.075 -8.007 1.00 0.00 C ATOM 397 CE LYS A 27 -3.536 13.431 -7.389 1.00 0.00 C ATOM 398 NZ LYS A 27 -4.903 13.913 -7.734 1.00 0.00 N ATOM 0 H LYS A 27 -2.944 11.659 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.548 11.142 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.710 10.722 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.700 9.309 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.306 10.230 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.190 11.448 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.215 11.782 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.299 12.148 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.438 13.365 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.798 14.156 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.920 14.953 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.157 13.583 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.587 13.541 -7.044 1.00 0.00 H new ATOM 412 N ALA A 28 -3.801 8.865 -3.734 1.00 0.00 N ATOM 413 CA ALA A 28 -3.901 7.684 -2.883 1.00 0.00 C ATOM 414 C ALA A 28 -4.906 7.912 -1.767 1.00 0.00 C ATOM 415 O ALA A 28 -5.772 7.078 -1.514 1.00 0.00 O ATOM 416 CB ALA A 28 -2.541 7.354 -2.291 1.00 0.00 C ATOM 0 H ALA A 28 -2.845 9.140 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.241 6.847 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.625 6.471 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.832 7.157 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.189 8.196 -1.695 1.00 0.00 H new ATOM 422 N CYS A 29 -4.781 9.055 -1.108 1.00 0.00 N ATOM 423 CA CYS A 29 -5.677 9.410 -0.020 1.00 0.00 C ATOM 424 C CYS A 29 -7.114 9.428 -0.510 1.00 0.00 C ATOM 425 O CYS A 29 -8.014 8.920 0.161 1.00 0.00 O ATOM 426 CB CYS A 29 -5.287 10.772 0.556 1.00 0.00 C ATOM 427 SG CYS A 29 -6.363 12.139 0.058 1.00 0.00 S ATOM 0 H CYS A 29 -4.065 9.753 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.592 8.663 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.287 10.705 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.266 11.001 0.251 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.046 12.550 1.085 1.00 0.00 H new ATOM 433 N GLY A 30 -7.319 9.996 -1.694 1.00 0.00 N ATOM 434 CA GLY A 30 -8.652 10.042 -2.265 1.00 0.00 C ATOM 435 C GLY A 30 -9.228 8.650 -2.420 1.00 0.00 C ATOM 436 O GLY A 30 -10.417 8.428 -2.186 1.00 0.00 O ATOM 0 H GLY A 30 -6.590 10.423 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.304 10.639 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.618 10.535 -3.237 1.00 0.00 H new ATOM 440 N LEU A 31 -8.368 7.711 -2.811 1.00 0.00 N ATOM 441 CA LEU A 31 -8.767 6.320 -2.999 1.00 0.00 C ATOM 442 C LEU A 31 -9.500 5.804 -1.765 1.00 0.00 C ATOM 443 O LEU A 31 -10.683 5.466 -1.832 1.00 0.00 O ATOM 444 CB LEU A 31 -7.522 5.475 -3.268 1.00 0.00 C ATOM 445 CG LEU A 31 -7.707 3.964 -3.152 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.982 3.275 -4.283 1.00 0.00 C ATOM 447 CD2 LEU A 31 -7.184 3.460 -1.817 1.00 0.00 C ATOM 0 H LEU A 31 -7.383 7.892 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.445 6.251 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.162 5.702 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.741 5.781 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.771 3.737 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.116 2.197 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.386 3.616 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.920 3.514 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.325 2.381 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.123 3.692 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.728 3.945 -1.007 1.00 0.00 H new ATOM 459 N LEU A 32 -8.802 5.775 -0.632 1.00 0.00 N ATOM 460 CA LEU A 32 -9.429 5.326 0.615 1.00 0.00 C ATOM 461 C LEU A 32 -10.172 6.476 1.289 1.00 0.00 C ATOM 462 O LEU A 32 -11.399 6.558 1.225 1.00 0.00 O ATOM 463 CB LEU A 32 -8.435 4.716 1.615 1.00 0.00 C ATOM 464 CG LEU A 32 -6.944 4.849 1.304 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.510 6.307 1.307 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.147 4.055 2.330 1.00 0.00 C ATOM 0 H LEU A 32 -7.823 6.050 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.127 4.539 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.617 5.171 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.664 3.655 1.711 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.755 4.452 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.445 6.370 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.073 6.856 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.700 6.741 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.083 4.146 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.349 4.444 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.438 3.006 2.284 1.00 0.00 H new ATOM 478 N GLY A 33 -9.420 7.359 1.937 1.00 0.00 N ATOM 479 CA GLY A 33 -10.014 8.492 2.623 1.00 0.00 C ATOM 480 C GLY A 33 -9.079 9.075 3.661 1.00 0.00 C ATOM 481 O GLY A 33 -9.519 9.643 4.661 1.00 0.00 O ATOM 0 H GLY A 33 -8.403 7.310 2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.275 9.261 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.941 8.180 3.104 1.00 0.00 H new ATOM 485 N TYR A 34 -7.781 8.928 3.419 1.00 0.00 N ATOM 486 CA TYR A 34 -6.761 9.434 4.331 1.00 0.00 C ATOM 487 C TYR A 34 -6.034 10.627 3.716 1.00 0.00 C ATOM 488 O TYR A 34 -6.646 11.449 3.034 1.00 0.00 O ATOM 489 CB TYR A 34 -5.751 8.324 4.649 1.00 0.00 C ATOM 490 CG TYR A 34 -6.248 7.295 5.636 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.265 6.414 5.297 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.694 7.202 6.906 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.718 5.469 6.195 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.141 6.259 7.812 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.152 5.396 7.451 1.00 0.00 C ATOM 496 OH TYR A 34 -7.603 4.456 8.350 1.00 0.00 O ATOM 0 H TYR A 34 -7.408 8.459 2.593 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.249 9.758 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.480 7.819 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.842 8.778 5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.709 6.469 4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.901 7.878 7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.511 4.791 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.701 6.199 8.796 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.958 3.721 8.406 1.00 0.00 H new ATOM 506 N SER A 35 -4.721 10.695 3.951 1.00 0.00 N ATOM 507 CA SER A 35 -3.875 11.757 3.417 1.00 0.00 C ATOM 508 C SER A 35 -2.481 11.665 4.016 1.00 0.00 C ATOM 509 O SER A 35 -2.263 10.946 4.987 1.00 0.00 O ATOM 510 CB SER A 35 -4.462 13.138 3.682 1.00 0.00 C ATOM 511 OG SER A 35 -4.628 13.372 5.071 1.00 0.00 O ATOM 0 H SER A 35 -4.217 10.013 4.518 1.00 0.00 H new ATOM 0 HA SER A 35 -3.820 11.621 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.808 13.900 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.425 13.229 3.179 1.00 0.00 H new ATOM 0 HG SER A 35 -5.005 14.266 5.209 1.00 0.00 H new ATOM 517 N SER A 36 -1.540 12.393 3.431 1.00 0.00 N ATOM 518 CA SER A 36 -0.161 12.386 3.909 1.00 0.00 C ATOM 519 C SER A 36 -0.086 12.638 5.412 1.00 0.00 C ATOM 520 O SER A 36 0.834 12.170 6.080 1.00 0.00 O ATOM 521 CB SER A 36 0.659 13.444 3.167 1.00 0.00 C ATOM 522 OG SER A 36 -0.184 14.365 2.495 1.00 0.00 O ATOM 0 H SER A 36 -1.704 12.996 2.625 1.00 0.00 H new ATOM 0 HA SER A 36 0.252 11.397 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.295 13.977 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.319 12.959 2.448 1.00 0.00 H new ATOM 0 HG SER A 36 0.364 15.031 2.030 1.00 0.00 H new ATOM 528 N GLN A 37 -1.047 13.393 5.939 1.00 0.00 N ATOM 529 CA GLN A 37 -1.073 13.718 7.363 1.00 0.00 C ATOM 530 C GLN A 37 -2.044 12.837 8.153 1.00 0.00 C ATOM 531 O GLN A 37 -2.048 12.864 9.383 1.00 0.00 O ATOM 532 CB GLN A 37 -1.448 15.189 7.554 1.00 0.00 C ATOM 533 CG GLN A 37 -2.855 15.521 7.086 1.00 0.00 C ATOM 534 CD GLN A 37 -3.100 17.014 6.989 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.493 17.702 6.169 1.00 0.00 O ATOM 536 NE2 GLN A 37 -3.991 17.523 7.831 1.00 0.00 N ATOM 0 H GLN A 37 -1.817 13.791 5.402 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.072 13.528 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.355 15.446 8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.737 15.811 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.027 15.064 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.576 15.082 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.471 16.915 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.196 18.522 7.814 1.00 0.00 H new ATOM 545 N ASP A 38 -2.888 12.083 7.452 1.00 0.00 N ATOM 546 CA ASP A 38 -3.878 11.237 8.120 1.00 0.00 C ATOM 547 C ASP A 38 -3.506 9.753 8.093 1.00 0.00 C ATOM 548 O ASP A 38 -4.097 8.954 8.822 1.00 0.00 O ATOM 549 CB ASP A 38 -5.251 11.431 7.477 1.00 0.00 C ATOM 550 CG ASP A 38 -6.243 12.094 8.415 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.919 12.253 9.610 1.00 0.00 O ATOM 552 OD2 ASP A 38 -7.348 12.450 7.952 1.00 0.00 O ATOM 0 H ASP A 38 -2.908 12.039 6.433 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.903 11.546 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.145 12.037 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.642 10.463 7.164 1.00 0.00 H new ATOM 557 N LEU A 39 -2.546 9.380 7.257 1.00 0.00 N ATOM 558 CA LEU A 39 -2.138 7.980 7.160 1.00 0.00 C ATOM 559 C LEU A 39 -0.668 7.790 7.523 1.00 0.00 C ATOM 560 O LEU A 39 -0.204 6.661 7.680 1.00 0.00 O ATOM 561 CB LEU A 39 -2.409 7.442 5.751 1.00 0.00 C ATOM 562 CG LEU A 39 -1.621 8.119 4.631 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.379 7.312 4.284 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.504 8.302 3.408 1.00 0.00 C ATOM 0 H LEU A 39 -2.039 10.017 6.642 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.731 7.416 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.184 6.376 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.473 7.546 5.539 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.298 9.101 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.168 7.812 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.259 7.230 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.673 6.315 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.933 8.785 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.853 7.329 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.361 8.923 3.668 1.00 0.00 H new ATOM 576 N ILE A 40 0.060 8.893 7.660 1.00 0.00 N ATOM 577 CA ILE A 40 1.472 8.827 8.009 1.00 0.00 C ATOM 578 C ILE A 40 1.660 8.318 9.436 1.00 0.00 C ATOM 579 O ILE A 40 0.908 8.683 10.339 1.00 0.00 O ATOM 580 CB ILE A 40 2.157 10.202 7.855 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.685 10.055 7.948 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.627 11.189 8.890 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.242 10.178 9.353 1.00 0.00 C ATOM 0 H ILE A 40 -0.303 9.838 7.535 1.00 0.00 H new ATOM 0 HA ILE A 40 1.940 8.127 7.317 1.00 0.00 H new ATOM 0 HB ILE A 40 1.919 10.601 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.970 9.085 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.150 10.814 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.123 12.151 8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.553 11.315 8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.826 10.808 9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.325 10.062 9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.992 11.158 9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.809 9.402 9.985 1.00 0.00 H new ATOM 595 N GLY A 41 2.668 7.472 9.629 1.00 0.00 N ATOM 596 CA GLY A 41 2.937 6.924 10.945 1.00 0.00 C ATOM 597 C GLY A 41 2.398 5.518 11.110 1.00 0.00 C ATOM 598 O GLY A 41 2.913 4.741 11.915 1.00 0.00 O ATOM 0 H GLY A 41 3.303 7.157 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.013 6.920 11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.493 7.571 11.702 1.00 0.00 H new ATOM 602 N GLN A 42 1.359 5.189 10.346 1.00 0.00 N ATOM 603 CA GLN A 42 0.752 3.864 10.411 1.00 0.00 C ATOM 604 C GLN A 42 1.244 2.987 9.265 1.00 0.00 C ATOM 605 O GLN A 42 2.213 3.324 8.587 1.00 0.00 O ATOM 606 CB GLN A 42 -0.775 3.977 10.365 1.00 0.00 C ATOM 607 CG GLN A 42 -1.330 5.114 11.206 1.00 0.00 C ATOM 608 CD GLN A 42 -2.765 5.454 10.856 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.955 6.117 9.720 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.692 5.126 11.597 1.00 0.00 N flip ATOM 0 H GLN A 42 0.921 5.821 9.676 1.00 0.00 H new ATOM 0 HA GLN A 42 1.046 3.400 11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.089 4.116 9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.210 3.038 10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.272 4.843 12.260 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.708 5.999 11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.500 4.618 12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.652 5.363 11.348 1.00 0.00 H new ATOM 619 N LYS A 43 0.569 1.860 9.054 1.00 0.00 N ATOM 620 CA LYS A 43 0.937 0.934 7.987 1.00 0.00 C ATOM 621 C LYS A 43 -0.191 0.815 6.970 1.00 0.00 C ATOM 622 O LYS A 43 -1.344 0.612 7.337 1.00 0.00 O ATOM 623 CB LYS A 43 1.268 -0.441 8.569 1.00 0.00 C ATOM 624 CG LYS A 43 2.396 -0.413 9.588 1.00 0.00 C ATOM 625 CD LYS A 43 2.118 -1.348 10.752 1.00 0.00 C ATOM 626 CE LYS A 43 3.371 -2.097 11.177 1.00 0.00 C ATOM 627 NZ LYS A 43 4.168 -1.324 12.168 1.00 0.00 N ATOM 0 H LYS A 43 -0.236 1.566 9.608 1.00 0.00 H new ATOM 0 HA LYS A 43 1.820 1.324 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.375 -0.852 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.540 -1.115 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.331 -0.699 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.527 0.603 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.731 -0.776 11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.344 -2.062 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.091 -3.059 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.985 -2.306 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.014 -1.868 12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.457 -0.417 11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.591 -1.147 13.015 1.00 0.00 H new ATOM 641 N LEU A 44 0.148 0.979 5.693 1.00 0.00 N ATOM 642 CA LEU A 44 -0.841 0.922 4.616 1.00 0.00 C ATOM 643 C LEU A 44 -1.819 -0.242 4.773 1.00 0.00 C ATOM 644 O LEU A 44 -3.027 -0.057 4.657 1.00 0.00 O ATOM 645 CB LEU A 44 -0.156 0.826 3.245 1.00 0.00 C ATOM 646 CG LEU A 44 1.296 0.337 3.241 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.379 -1.145 3.583 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.929 0.598 1.885 1.00 0.00 C ATOM 0 H LEU A 44 1.102 1.153 5.377 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.410 1.849 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.743 0.157 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.186 1.811 2.779 1.00 0.00 H new ATOM 0 HG LEU A 44 1.843 0.890 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.422 -1.463 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.958 -1.314 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.817 -1.720 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.961 0.247 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.370 0.067 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.911 1.667 1.675 1.00 0.00 H new ATOM 660 N THR A 45 -1.293 -1.438 4.999 1.00 0.00 N ATOM 661 CA THR A 45 -2.119 -2.637 5.130 1.00 0.00 C ATOM 662 C THR A 45 -3.205 -2.501 6.188 1.00 0.00 C ATOM 663 O THR A 45 -4.148 -3.293 6.217 1.00 0.00 O ATOM 664 CB THR A 45 -1.262 -3.868 5.425 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.463 -3.653 6.595 1.00 0.00 O ATOM 666 CG2 THR A 45 -0.374 -4.160 4.235 1.00 0.00 C ATOM 0 H THR A 45 -0.292 -1.607 5.096 1.00 0.00 H new ATOM 0 HA THR A 45 -2.616 -2.763 4.168 1.00 0.00 H new ATOM 0 HB THR A 45 -1.915 -4.721 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.079 -4.450 6.772 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.238 -5.038 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.992 -4.349 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.273 -3.304 4.045 1.00 0.00 H new ATOM 674 N GLN A 46 -3.091 -1.491 7.036 1.00 0.00 N ATOM 675 CA GLN A 46 -4.093 -1.262 8.064 1.00 0.00 C ATOM 676 C GLN A 46 -5.412 -0.902 7.400 1.00 0.00 C ATOM 677 O GLN A 46 -6.489 -1.106 7.959 1.00 0.00 O ATOM 678 CB GLN A 46 -3.652 -0.139 9.007 1.00 0.00 C ATOM 679 CG GLN A 46 -4.394 -0.126 10.333 1.00 0.00 C ATOM 680 CD GLN A 46 -3.990 1.041 11.216 1.00 0.00 C ATOM 681 OE1 GLN A 46 -2.710 1.398 11.178 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -4.819 1.613 11.924 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.321 -0.822 7.033 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.215 -2.170 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.584 -0.237 9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.799 0.820 8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.467 -0.080 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.203 -1.060 10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.791 1.305 11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.534 2.395 12.513 1.00 0.00 H new ATOM 691 N PHE A 47 -5.305 -0.346 6.199 1.00 0.00 N ATOM 692 CA PHE A 47 -6.473 0.070 5.433 1.00 0.00 C ATOM 693 C PHE A 47 -6.670 -0.814 4.208 1.00 0.00 C ATOM 694 O PHE A 47 -7.111 -0.345 3.159 1.00 0.00 O ATOM 695 CB PHE A 47 -6.328 1.536 5.011 1.00 0.00 C ATOM 696 CG PHE A 47 -5.251 2.272 5.760 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.400 2.563 7.107 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.088 2.665 5.119 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.411 3.233 7.798 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.096 3.336 5.806 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.257 3.621 7.149 1.00 0.00 C ATOM 0 H PHE A 47 -4.415 -0.172 5.732 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.353 -0.034 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.111 1.579 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.279 2.046 5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.300 2.262 7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.956 2.444 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.540 3.454 8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.194 3.638 5.294 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.482 4.146 7.688 1.00 0.00 H new ATOM 711 N PHE A 48 -6.351 -2.099 4.350 1.00 0.00 N ATOM 712 CA PHE A 48 -6.504 -3.059 3.259 1.00 0.00 C ATOM 713 C PHE A 48 -6.938 -4.418 3.803 1.00 0.00 C ATOM 714 O PHE A 48 -6.570 -4.786 4.915 1.00 0.00 O ATOM 715 CB PHE A 48 -5.193 -3.207 2.476 1.00 0.00 C ATOM 716 CG PHE A 48 -4.699 -1.920 1.877 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.484 -1.198 0.994 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.445 -1.431 2.197 1.00 0.00 C ATOM 719 CE1 PHE A 48 -5.030 -0.015 0.446 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.984 -0.248 1.653 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.779 0.460 0.776 1.00 0.00 C ATOM 0 H PHE A 48 -5.984 -2.500 5.213 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.273 -2.683 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.426 -3.606 3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.336 -3.937 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.465 -1.565 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.818 -1.982 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.654 0.538 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.003 0.122 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.422 1.385 0.349 1.00 0.00 H new ATOM 731 N LEU A 49 -7.717 -5.148 2.998 1.00 0.00 N ATOM 732 CA LEU A 49 -8.223 -6.481 3.357 1.00 0.00 C ATOM 733 C LEU A 49 -8.551 -6.596 4.846 1.00 0.00 C ATOM 734 O LEU A 49 -9.697 -6.416 5.253 1.00 0.00 O ATOM 735 CB LEU A 49 -7.218 -7.571 2.954 1.00 0.00 C ATOM 736 CG LEU A 49 -5.938 -7.073 2.276 1.00 0.00 C ATOM 737 CD1 LEU A 49 -4.878 -6.725 3.311 1.00 0.00 C ATOM 738 CD2 LEU A 49 -5.407 -8.118 1.311 1.00 0.00 C ATOM 0 H LEU A 49 -8.016 -4.832 2.076 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.151 -6.625 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.940 -8.132 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.716 -8.269 2.281 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.180 -6.170 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.978 -6.374 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.255 -5.941 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.641 -7.610 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.497 -7.748 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.185 -9.036 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.157 -8.321 0.546 1.00 0.00 H new ATOM 750 N ARG A 50 -7.537 -6.894 5.651 1.00 0.00 N ATOM 751 CA ARG A 50 -7.712 -7.027 7.092 1.00 0.00 C ATOM 752 C ARG A 50 -6.620 -6.265 7.835 1.00 0.00 C ATOM 753 O ARG A 50 -5.432 -6.472 7.594 1.00 0.00 O ATOM 754 CB ARG A 50 -7.691 -8.503 7.499 1.00 0.00 C ATOM 755 CG ARG A 50 -8.680 -8.845 8.600 1.00 0.00 C ATOM 756 CD ARG A 50 -8.583 -10.310 8.998 1.00 0.00 C ATOM 757 NE ARG A 50 -9.654 -10.701 9.910 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.829 -11.179 9.509 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.079 -11.335 8.216 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.751 -11.507 10.401 1.00 0.00 N ATOM 0 H ARG A 50 -6.582 -7.048 5.328 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.679 -6.602 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.908 -9.116 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.686 -8.766 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.490 -8.217 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.693 -8.624 8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.623 -10.932 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.619 -10.494 9.471 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.492 -10.602 10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.369 -11.088 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.981 -11.702 7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.561 -11.393 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.652 -11.873 10.092 1.00 0.00 H new ATOM 774 N SER A 51 -7.030 -5.373 8.730 1.00 0.00 N ATOM 775 CA SER A 51 -6.085 -4.570 9.497 1.00 0.00 C ATOM 776 C SER A 51 -5.572 -5.321 10.721 1.00 0.00 C ATOM 777 O SER A 51 -4.711 -4.822 11.445 1.00 0.00 O ATOM 778 CB SER A 51 -6.743 -3.262 9.938 1.00 0.00 C ATOM 779 OG SER A 51 -7.519 -3.449 11.107 1.00 0.00 O ATOM 0 H SER A 51 -8.010 -5.188 8.942 1.00 0.00 H new ATOM 0 HA SER A 51 -5.235 -4.355 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.976 -2.510 10.124 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.375 -2.881 9.136 1.00 0.00 H new ATOM 0 HG SER A 51 -7.927 -2.597 11.368 1.00 0.00 H new ATOM 785 N ASP A 52 -6.112 -6.512 10.961 1.00 0.00 N ATOM 786 CA ASP A 52 -5.708 -7.304 12.118 1.00 0.00 C ATOM 787 C ASP A 52 -4.580 -8.280 11.786 1.00 0.00 C ATOM 788 O ASP A 52 -3.445 -8.102 12.230 1.00 0.00 O ATOM 789 CB ASP A 52 -6.908 -8.072 12.673 1.00 0.00 C ATOM 790 CG ASP A 52 -7.078 -7.877 14.166 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.104 -8.116 14.912 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.185 -7.483 14.592 1.00 0.00 O ATOM 0 H ASP A 52 -6.825 -6.947 10.375 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.332 -6.609 12.869 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.813 -7.745 12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.787 -9.134 12.459 1.00 0.00 H new ATOM 797 N SER A 53 -4.903 -9.324 11.028 1.00 0.00 N ATOM 798 CA SER A 53 -3.918 -10.344 10.669 1.00 0.00 C ATOM 799 C SER A 53 -3.245 -10.069 9.323 1.00 0.00 C ATOM 800 O SER A 53 -2.033 -10.212 9.192 1.00 0.00 O ATOM 801 CB SER A 53 -4.583 -11.720 10.637 1.00 0.00 C ATOM 802 OG SER A 53 -5.655 -11.749 9.713 1.00 0.00 O ATOM 0 H SER A 53 -5.836 -9.487 10.650 1.00 0.00 H new ATOM 0 HA SER A 53 -3.140 -10.317 11.432 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.846 -12.477 10.367 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.950 -11.973 11.632 1.00 0.00 H new ATOM 0 HG SER A 53 -6.061 -12.641 9.711 1.00 0.00 H new ATOM 808 N ASP A 54 -4.041 -9.708 8.322 1.00 0.00 N ATOM 809 CA ASP A 54 -3.522 -9.453 6.978 1.00 0.00 C ATOM 810 C ASP A 54 -2.371 -8.448 6.968 1.00 0.00 C ATOM 811 O ASP A 54 -1.634 -8.362 5.986 1.00 0.00 O ATOM 812 CB ASP A 54 -4.644 -8.966 6.061 1.00 0.00 C ATOM 813 CG ASP A 54 -5.458 -10.111 5.490 1.00 0.00 C ATOM 814 OD1 ASP A 54 -5.645 -11.121 6.200 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.911 -9.996 4.332 1.00 0.00 O ATOM 0 H ASP A 54 -5.049 -9.585 8.414 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.126 -10.399 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.301 -8.298 6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.216 -8.384 5.244 1.00 0.00 H new ATOM 820 N VAL A 55 -2.208 -7.692 8.048 1.00 0.00 N ATOM 821 CA VAL A 55 -1.130 -6.711 8.114 1.00 0.00 C ATOM 822 C VAL A 55 0.150 -7.334 8.670 1.00 0.00 C ATOM 823 O VAL A 55 1.251 -6.875 8.371 1.00 0.00 O ATOM 824 CB VAL A 55 -1.516 -5.484 8.964 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.861 -4.933 8.523 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.534 -5.832 10.443 1.00 0.00 C ATOM 0 H VAL A 55 -2.798 -7.737 8.878 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.952 -6.377 7.092 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.762 -4.712 8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.118 -4.067 9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.807 -4.635 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.626 -5.701 8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.809 -4.950 11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.261 -6.624 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.545 -6.172 10.749 1.00 0.00 H new ATOM 836 N VAL A 56 0.000 -8.380 9.475 1.00 0.00 N ATOM 837 CA VAL A 56 1.153 -9.057 10.062 1.00 0.00 C ATOM 838 C VAL A 56 1.794 -10.021 9.067 1.00 0.00 C ATOM 839 O VAL A 56 2.985 -10.318 9.159 1.00 0.00 O ATOM 840 CB VAL A 56 0.770 -9.822 11.349 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.151 -11.173 11.022 1.00 0.00 C ATOM 842 CG2 VAL A 56 1.986 -9.989 12.245 1.00 0.00 C ATOM 0 H VAL A 56 -0.903 -8.777 9.736 1.00 0.00 H new ATOM 0 HA VAL A 56 1.875 -8.282 10.320 1.00 0.00 H new ATOM 0 HB VAL A 56 0.022 -9.236 11.883 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.108 -11.688 11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.749 -11.026 10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.866 -11.774 10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.701 -10.530 13.148 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.755 -10.550 11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.375 -9.008 12.517 1.00 0.00 H new ATOM 852 N GLU A 57 1.001 -10.502 8.112 1.00 0.00 N ATOM 853 CA GLU A 57 1.504 -11.425 7.099 1.00 0.00 C ATOM 854 C GLU A 57 2.028 -10.662 5.884 1.00 0.00 C ATOM 855 O GLU A 57 3.055 -11.017 5.308 1.00 0.00 O ATOM 856 CB GLU A 57 0.416 -12.415 6.670 1.00 0.00 C ATOM 857 CG GLU A 57 -1.001 -11.933 6.931 1.00 0.00 C ATOM 858 CD GLU A 57 -1.756 -12.836 7.887 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.170 -13.234 8.917 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.933 -13.147 7.607 1.00 0.00 O ATOM 0 H GLU A 57 0.012 -10.269 8.019 1.00 0.00 H new ATOM 0 HA GLU A 57 2.327 -11.987 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.527 -12.622 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.570 -13.357 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.968 -10.923 7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.542 -11.877 5.986 1.00 0.00 H new ATOM 867 N ALA A 58 1.307 -9.613 5.498 1.00 0.00 N ATOM 868 CA ALA A 58 1.694 -8.799 4.351 1.00 0.00 C ATOM 869 C ALA A 58 3.001 -8.055 4.604 1.00 0.00 C ATOM 870 O ALA A 58 3.949 -8.168 3.827 1.00 0.00 O ATOM 871 CB ALA A 58 0.590 -7.811 4.012 1.00 0.00 C ATOM 0 H ALA A 58 0.452 -9.307 5.963 1.00 0.00 H new ATOM 0 HA ALA A 58 1.850 -9.471 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.891 -7.209 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.324 -8.355 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.410 -7.159 4.867 1.00 0.00 H new ATOM 1086 N PHE A 74 -1.279 -9.414 0.022 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.894 -8.064 -0.389 1.00 0.00 C ATOM 1088 C PHE A 74 0.098 -8.137 -1.547 1.00 0.00 C ATOM 1089 O PHE A 74 0.495 -9.227 -1.962 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.288 -7.272 0.777 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.574 -5.793 0.714 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.862 -5.326 0.477 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.447 -4.868 0.884 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.120 -3.972 0.412 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.191 -3.513 0.817 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.091 -3.065 0.582 1.00 0.00 C ATOM 0 HA PHE A 74 -1.793 -7.541 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.675 -7.669 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.791 -7.425 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.669 -6.031 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.453 -5.212 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.125 -3.621 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.995 -2.804 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.292 -2.005 0.531 1.00 0.00 H new ATOM 1106 N GLY A 75 0.489 -6.980 -2.076 1.00 0.00 N ATOM 1107 CA GLY A 75 1.421 -6.955 -3.189 1.00 0.00 C ATOM 1108 C GLY A 75 0.831 -7.601 -4.430 1.00 0.00 C ATOM 1109 O GLY A 75 1.540 -7.885 -5.395 1.00 0.00 O ATOM 0 H GLY A 75 0.178 -6.063 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.695 -5.924 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.337 -7.475 -2.908 1.00 0.00 H new ATOM 1113 N THR A 76 -0.478 -7.828 -4.390 1.00 0.00 N ATOM 1114 CA THR A 76 -1.201 -8.440 -5.499 1.00 0.00 C ATOM 1115 C THR A 76 -2.626 -7.904 -5.566 1.00 0.00 C ATOM 1116 O THR A 76 -3.098 -7.262 -4.628 1.00 0.00 O ATOM 1117 CB THR A 76 -1.247 -9.974 -5.367 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.200 -10.424 -4.498 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.106 -10.639 -6.727 1.00 0.00 C ATOM 0 H THR A 76 -1.066 -7.594 -3.590 1.00 0.00 H new ATOM 0 HA THR A 76 -0.666 -8.184 -6.414 1.00 0.00 H new ATOM 0 HB THR A 76 -2.213 -10.251 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.238 -11.400 -4.419 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.141 -11.722 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.922 -10.318 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.154 -10.354 -7.174 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.316 -8.165 -6.673 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.691 -7.704 -6.822 1.00 0.00 C ATOM 1129 C VAL A 77 -5.582 -8.399 -5.796 1.00 0.00 C ATOM 1130 O VAL A 77 -5.975 -9.551 -5.982 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.233 -7.979 -8.239 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.533 -7.226 -8.472 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.198 -7.606 -9.289 1.00 0.00 C ATOM 0 H VAL A 77 -2.951 -8.686 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.700 -6.626 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.438 -9.046 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.899 -7.434 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.276 -7.548 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.358 -6.156 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.599 -7.807 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.957 -6.546 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.295 -8.197 -9.136 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.870 -7.699 -4.701 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.685 -8.256 -3.625 1.00 0.00 C ATOM 1145 C VAL A 78 -7.846 -7.343 -3.249 1.00 0.00 C ATOM 1146 O VAL A 78 -8.058 -6.299 -3.861 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.835 -8.490 -2.362 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.762 -9.534 -2.619 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -5.212 -7.182 -1.898 1.00 0.00 C ATOM 0 H VAL A 78 -5.551 -6.744 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.081 -9.199 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.486 -8.865 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.174 -9.682 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.231 -10.475 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.109 -9.195 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.614 -7.361 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.575 -6.782 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.000 -6.465 -1.669 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.580 -7.742 -2.211 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.706 -6.959 -1.718 1.00 0.00 C ATOM 1161 C ASP A 79 -9.247 -6.065 -0.578 1.00 0.00 C ATOM 1162 O ASP A 79 -8.647 -6.540 0.387 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.832 -7.871 -1.233 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.938 -8.028 -2.261 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.628 -8.024 -3.471 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -13.112 -8.155 -1.854 1.00 0.00 O ATOM 0 H ASP A 79 -8.412 -8.606 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.085 -6.347 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.422 -8.852 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.252 -7.466 -0.312 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.504 -4.773 -0.698 1.00 0.00 N ATOM 1172 CA ILE A 80 -9.085 -3.827 0.321 1.00 0.00 C ATOM 1173 C ILE A 80 -10.272 -3.140 0.987 1.00 0.00 C ATOM 1174 O ILE A 80 -11.389 -3.155 0.469 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.154 -2.761 -0.277 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.932 -1.850 -1.228 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.991 -3.426 -0.995 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.257 -0.520 -1.476 1.00 0.00 C ATOM 0 H ILE A 80 -9.999 -4.357 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.550 -4.399 1.079 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.754 -2.148 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.067 -2.363 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.926 -1.673 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.338 -2.661 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.428 -4.036 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.372 -4.058 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.864 0.074 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.146 0.013 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.274 -0.687 -1.916 1.00 0.00 H new ATOM 1190 N ILE A 81 -10.011 -2.524 2.138 1.00 0.00 N ATOM 1191 CA ILE A 81 -11.036 -1.807 2.885 1.00 0.00 C ATOM 1192 C ILE A 81 -10.470 -0.511 3.447 1.00 0.00 C ATOM 1193 O ILE A 81 -9.412 -0.507 4.066 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.596 -2.649 4.049 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.556 -3.661 4.524 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.874 -3.355 3.627 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.243 -3.558 6.001 1.00 0.00 C ATOM 0 H ILE A 81 -9.089 -2.509 2.575 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.847 -1.595 2.189 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.830 -1.981 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.914 -4.667 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.637 -3.519 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.256 -3.945 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.619 -2.615 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.665 -4.012 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.497 -4.307 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.855 -2.564 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.152 -3.729 6.578 1.00 0.00 H new ATOM 1209 N SER A 82 -11.186 0.583 3.238 1.00 0.00 N ATOM 1210 CA SER A 82 -10.748 1.881 3.734 1.00 0.00 C ATOM 1211 C SER A 82 -11.190 2.081 5.178 1.00 0.00 C ATOM 1212 O SER A 82 -11.884 1.238 5.742 1.00 0.00 O ATOM 1213 CB SER A 82 -11.307 3.001 2.856 1.00 0.00 C ATOM 1214 OG SER A 82 -12.584 3.417 3.308 1.00 0.00 O ATOM 0 H SER A 82 -12.070 0.600 2.730 1.00 0.00 H new ATOM 0 HA SER A 82 -9.659 1.912 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.622 3.849 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.378 2.657 1.824 1.00 0.00 H new ATOM 0 HG SER A 82 -12.918 4.135 2.730 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.764 3.191 5.773 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.110 3.501 7.163 1.00 0.00 C ATOM 1222 C ARG A 83 -12.587 3.227 7.451 1.00 0.00 C ATOM 1223 O ARG A 83 -12.961 2.930 8.585 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.793 4.963 7.484 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.643 5.957 6.704 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.806 7.110 6.175 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.119 8.368 6.846 1.00 0.00 N ATOM 1228 CZ ARG A 83 -12.220 9.075 6.613 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -13.114 8.648 5.732 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -12.428 10.210 7.264 1.00 0.00 N ATOM 0 H ARG A 83 -10.179 3.892 5.318 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.508 2.850 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.939 5.132 8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.741 5.153 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.130 5.447 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.433 6.345 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.749 6.881 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.975 7.219 5.104 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.455 8.725 7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.958 7.774 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.958 9.194 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.743 10.541 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.273 10.753 7.085 1.00 0.00 H new ATOM 1244 N SER A 84 -13.423 3.337 6.420 1.00 0.00 N ATOM 1245 CA SER A 84 -14.858 3.107 6.572 1.00 0.00 C ATOM 1246 C SER A 84 -15.258 1.711 6.097 1.00 0.00 C ATOM 1247 O SER A 84 -16.315 1.203 6.470 1.00 0.00 O ATOM 1248 CB SER A 84 -15.648 4.164 5.799 1.00 0.00 C ATOM 1249 OG SER A 84 -15.489 4.000 4.401 1.00 0.00 O ATOM 0 H SER A 84 -13.133 3.583 5.474 1.00 0.00 H new ATOM 0 HA SER A 84 -15.093 3.182 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.704 4.094 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.313 5.159 6.092 1.00 0.00 H new ATOM 0 HG SER A 84 -14.542 3.859 4.194 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.413 1.094 5.275 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.705 -0.233 4.769 1.00 0.00 C ATOM 1257 C GLY A 85 -15.300 -0.187 3.380 1.00 0.00 C ATOM 1258 O GLY A 85 -16.411 0.311 3.190 1.00 0.00 O ATOM 0 H GLY A 85 -13.531 1.491 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.790 -0.825 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.398 -0.735 5.444 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.555 -0.691 2.407 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.008 -0.690 1.024 1.00 0.00 C ATOM 1264 C GLU A 86 -15.192 -2.111 0.494 1.00 0.00 C ATOM 1265 O GLU A 86 -16.163 -2.396 -0.209 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.011 0.073 0.154 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.538 1.408 -0.346 1.00 0.00 C ATOM 1268 CD GLU A 86 -13.743 1.946 -1.520 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -12.495 1.909 -1.459 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -14.366 2.406 -2.500 1.00 0.00 O ATOM 0 H GLU A 86 -13.634 -1.106 2.550 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.978 -0.194 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.098 0.243 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.741 -0.545 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.582 1.295 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.512 2.132 0.468 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.256 -2.996 0.829 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.319 -4.386 0.378 1.00 0.00 C ATOM 1279 C LYS A 87 -14.418 -4.450 -1.143 1.00 0.00 C ATOM 1280 O LYS A 87 -15.312 -5.093 -1.695 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.512 -5.102 1.018 1.00 0.00 C ATOM 1282 CG LYS A 87 -15.112 -6.179 2.012 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.477 -5.788 3.435 1.00 0.00 C ATOM 1284 CE LYS A 87 -14.874 -6.749 4.445 1.00 0.00 C ATOM 1285 NZ LYS A 87 -14.483 -6.060 5.707 1.00 0.00 N ATOM 0 H LYS A 87 -13.446 -2.777 1.410 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.403 -4.890 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.138 -4.367 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.120 -5.552 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.606 -7.116 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.038 -6.356 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.125 -4.776 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.561 -5.776 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.593 -7.537 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.999 -7.231 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.580 -6.718 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.495 -5.743 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.100 -5.237 5.859 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.499 -3.762 -1.809 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.477 -3.715 -3.262 1.00 0.00 C ATOM 1301 C ILE A 88 -12.149 -4.232 -3.811 1.00 0.00 C ATOM 1302 O ILE A 88 -11.080 -3.884 -3.307 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.722 -2.275 -3.764 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -15.212 -1.940 -3.696 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -13.202 -2.104 -5.179 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -15.491 -0.521 -3.251 1.00 0.00 C ATOM 0 H ILE A 88 -12.756 -3.226 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.277 -4.361 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.179 -1.586 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.657 -2.099 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.701 -2.631 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.385 -1.083 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.131 -2.307 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.716 -2.800 -5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -16.568 -0.353 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.075 -0.363 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -15.031 0.177 -3.951 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.199 -5.073 -4.861 1.00 0.00 N ATOM 1319 CA PRO A 89 -10.995 -5.635 -5.480 1.00 0.00 C ATOM 1320 C PRO A 89 -10.163 -4.574 -6.193 1.00 0.00 C ATOM 1321 O PRO A 89 -10.692 -3.760 -6.949 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.544 -6.646 -6.488 1.00 0.00 C ATOM 1323 CG PRO A 89 -12.921 -6.167 -6.794 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.429 -5.541 -5.527 1.00 0.00 C ATOM 0 HA PRO A 89 -10.327 -6.075 -4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.929 -6.683 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.559 -7.653 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.911 -5.445 -7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.561 -6.992 -7.106 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.113 -4.718 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -13.970 -6.260 -4.912 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.857 -4.603 -5.954 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.933 -3.662 -6.574 1.00 0.00 C ATOM 1334 C VAL A 90 -6.572 -4.315 -6.781 1.00 0.00 C ATOM 1335 O VAL A 90 -6.285 -5.359 -6.197 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.752 -2.382 -5.731 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -9.059 -1.608 -5.627 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.218 -2.723 -4.352 1.00 0.00 C ATOM 0 H VAL A 90 -8.411 -5.275 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.365 -3.381 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.024 -1.745 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.904 -0.711 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.394 -1.325 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.816 -2.234 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.097 -1.808 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.919 -3.385 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.254 -3.222 -4.448 1.00 0.00 H new ATOM 1348 N SER A 91 -5.741 -3.699 -7.610 1.00 0.00 N ATOM 1349 CA SER A 91 -4.410 -4.223 -7.895 1.00 0.00 C ATOM 1350 C SER A 91 -3.358 -3.589 -6.991 1.00 0.00 C ATOM 1351 O SER A 91 -3.233 -2.366 -6.931 1.00 0.00 O ATOM 1352 CB SER A 91 -4.050 -3.977 -9.362 1.00 0.00 C ATOM 1353 OG SER A 91 -2.932 -4.757 -9.750 1.00 0.00 O ATOM 0 H SER A 91 -5.965 -2.833 -8.099 1.00 0.00 H new ATOM 0 HA SER A 91 -4.424 -5.295 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.904 -4.219 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.830 -2.920 -9.514 1.00 0.00 H new ATOM 0 HG SER A 91 -2.723 -4.583 -10.692 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.597 -4.429 -6.292 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.549 -3.946 -5.401 1.00 0.00 C ATOM 1361 C VAL A 92 -0.187 -4.502 -5.807 1.00 0.00 C ATOM 1362 O VAL A 92 -0.062 -5.679 -6.132 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.833 -4.336 -3.936 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.660 -3.972 -3.035 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.113 -3.674 -3.447 1.00 0.00 C ATOM 0 H VAL A 92 -2.688 -5.444 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.537 -2.859 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.965 -5.417 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.888 -4.258 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.233 -4.500 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.485 -2.897 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.298 -3.960 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.010 -2.591 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.949 -3.996 -4.067 1.00 0.00 H new ATOM 1375 N TRP A 93 0.831 -3.647 -5.781 1.00 0.00 N ATOM 1376 CA TRP A 93 2.182 -4.065 -6.137 1.00 0.00 C ATOM 1377 C TRP A 93 3.221 -3.343 -5.286 1.00 0.00 C ATOM 1378 O TRP A 93 3.463 -2.148 -5.462 1.00 0.00 O ATOM 1379 CB TRP A 93 2.471 -3.844 -7.631 1.00 0.00 C ATOM 1380 CG TRP A 93 1.565 -2.857 -8.310 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.224 -2.989 -8.543 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.946 -1.598 -8.875 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.252 -1.883 -9.201 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.784 -1.015 -9.417 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.154 -0.902 -8.967 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.799 0.227 -10.043 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.168 0.330 -9.590 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.997 0.884 -10.121 1.00 0.00 C ATOM 0 H TRP A 93 0.747 -2.665 -5.518 1.00 0.00 H new ATOM 0 HA TRP A 93 2.250 -5.134 -5.937 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.501 -3.505 -7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.394 -4.801 -8.147 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.374 -3.840 -8.251 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.220 -1.732 -9.483 1.00 0.00 H new ATOM 0 HE3 TRP A 93 4.062 -1.321 -8.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.103 0.658 -10.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.097 0.875 -9.669 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.040 1.850 -10.602 1.00 0.00 H new ATOM 1399 N MET A 94 3.830 -4.081 -4.360 1.00 0.00 N ATOM 1400 CA MET A 94 4.843 -3.521 -3.472 1.00 0.00 C ATOM 1401 C MET A 94 6.248 -3.861 -3.968 1.00 0.00 C ATOM 1402 O MET A 94 6.494 -4.961 -4.462 1.00 0.00 O ATOM 1403 CB MET A 94 4.651 -4.050 -2.048 1.00 0.00 C ATOM 1404 CG MET A 94 5.096 -3.075 -0.970 1.00 0.00 C ATOM 1405 SD MET A 94 4.859 -3.720 0.698 1.00 0.00 S ATOM 1406 CE MET A 94 5.048 -2.229 1.677 1.00 0.00 C ATOM 0 H MET A 94 3.638 -5.071 -4.206 1.00 0.00 H new ATOM 0 HA MET A 94 4.730 -2.437 -3.468 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.598 -4.289 -1.897 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.208 -4.980 -1.937 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.149 -2.836 -1.116 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.540 -2.144 -1.077 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.934 -2.317 2.306 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.157 -1.370 1.015 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.168 -2.093 2.306 1.00 0.00 H new ATOM 1416 N LYS A 95 7.164 -2.906 -3.833 1.00 0.00 N ATOM 1417 CA LYS A 95 8.545 -3.100 -4.268 1.00 0.00 C ATOM 1418 C LYS A 95 9.504 -2.261 -3.429 1.00 0.00 C ATOM 1419 O LYS A 95 9.327 -1.051 -3.287 1.00 0.00 O ATOM 1420 CB LYS A 95 8.694 -2.741 -5.747 1.00 0.00 C ATOM 1421 CG LYS A 95 8.006 -1.438 -6.127 1.00 0.00 C ATOM 1422 CD LYS A 95 7.281 -1.562 -7.457 1.00 0.00 C ATOM 1423 CE LYS A 95 7.064 -0.202 -8.100 1.00 0.00 C ATOM 1424 NZ LYS A 95 8.165 0.149 -9.041 1.00 0.00 N ATOM 0 H LYS A 95 6.975 -1.990 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 95 8.796 -4.152 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.754 -2.667 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.284 -3.549 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.296 -1.159 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.745 -0.639 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.858 -2.196 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.319 -2.052 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.115 -0.201 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.993 0.560 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.980 1.083 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.068 0.173 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.216 -0.564 -9.796 1.00 0.00 H new ATOM 1438 N ARG A 96 10.520 -2.912 -2.870 1.00 0.00 N ATOM 1439 CA ARG A 96 11.505 -2.230 -2.037 1.00 0.00 C ATOM 1440 C ARG A 96 12.554 -1.516 -2.884 1.00 0.00 C ATOM 1441 O ARG A 96 13.499 -2.133 -3.374 1.00 0.00 O ATOM 1442 CB ARG A 96 12.182 -3.223 -1.096 1.00 0.00 C ATOM 1443 CG ARG A 96 11.202 -4.099 -0.337 1.00 0.00 C ATOM 1444 CD ARG A 96 11.168 -5.511 -0.896 1.00 0.00 C ATOM 1445 NE ARG A 96 11.198 -6.517 0.162 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.022 -7.816 -0.048 1.00 0.00 C ATOM 1447 NH1 ARG A 96 10.801 -8.271 -1.276 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.067 -8.666 0.968 1.00 0.00 N ATOM 0 H ARG A 96 10.683 -3.913 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 96 10.978 -1.479 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.854 -3.858 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.796 -2.675 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.481 -4.130 0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.205 -3.662 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.268 -5.642 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.019 -5.659 -1.561 1.00 0.00 H new ATOM 0 HE ARG A 96 11.364 -6.203 1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.766 -7.622 -2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.666 -9.270 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.237 -8.322 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.932 -9.664 0.805 1.00 0.00 H new ATOM 1462 N MET A 97 12.373 -0.211 -3.050 1.00 0.00 N ATOM 1463 CA MET A 97 13.296 0.597 -3.837 1.00 0.00 C ATOM 1464 C MET A 97 14.175 1.467 -2.931 1.00 0.00 C ATOM 1465 O MET A 97 14.945 0.945 -2.124 1.00 0.00 O ATOM 1466 CB MET A 97 12.525 1.467 -4.835 1.00 0.00 C ATOM 1467 CG MET A 97 11.261 2.083 -4.262 1.00 0.00 C ATOM 1468 SD MET A 97 11.132 3.850 -4.600 1.00 0.00 S ATOM 1469 CE MET A 97 10.825 3.838 -6.366 1.00 0.00 C ATOM 0 H MET A 97 11.594 0.311 -2.649 1.00 0.00 H new ATOM 0 HA MET A 97 13.949 -0.076 -4.393 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.179 2.264 -5.188 1.00 0.00 H new ATOM 0 HB3 MET A 97 12.262 0.862 -5.703 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.392 1.573 -4.679 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.239 1.921 -3.184 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.722 4.862 -6.724 1.00 0.00 H new ATOM 0 HE2 MET A 97 11.659 3.357 -6.877 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.907 3.287 -6.572 1.00 0.00 H new ATOM 1479 N ARG A 98 14.053 2.790 -3.065 1.00 0.00 N ATOM 1480 CA ARG A 98 14.836 3.724 -2.257 1.00 0.00 C ATOM 1481 C ARG A 98 14.081 5.031 -2.047 1.00 0.00 C ATOM 1482 O ARG A 98 13.609 5.321 -0.947 1.00 0.00 O ATOM 1483 CB ARG A 98 16.179 4.021 -2.931 1.00 0.00 C ATOM 1484 CG ARG A 98 17.029 2.787 -3.149 1.00 0.00 C ATOM 1485 CD ARG A 98 18.274 2.807 -2.279 1.00 0.00 C ATOM 1486 NE ARG A 98 19.499 2.669 -3.062 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.712 2.597 -2.523 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.860 2.652 -1.206 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.779 2.471 -3.300 1.00 0.00 N ATOM 0 H ARG A 98 13.418 3.237 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 98 15.011 3.256 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 98 15.996 4.501 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.734 4.732 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.442 1.896 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.318 2.724 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.307 3.741 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.218 1.999 -1.550 1.00 0.00 H new ATOM 0 HE ARG A 98 19.419 2.625 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.042 2.750 -0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.792 2.597 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.670 2.429 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.709 2.416 -2.884 1.00 0.00 H new ATOM 1503 N GLN A 99 13.988 5.815 -3.117 1.00 0.00 N ATOM 1504 CA GLN A 99 13.302 7.106 -3.081 1.00 0.00 C ATOM 1505 C GLN A 99 14.056 8.105 -2.203 1.00 0.00 C ATOM 1506 O GLN A 99 13.581 9.214 -1.963 1.00 0.00 O ATOM 1507 CB GLN A 99 11.868 6.940 -2.572 1.00 0.00 C ATOM 1508 CG GLN A 99 10.943 8.081 -2.965 1.00 0.00 C ATOM 1509 CD GLN A 99 9.673 7.596 -3.638 1.00 0.00 C ATOM 1510 OE1 GLN A 99 8.869 6.836 -2.906 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 9.419 7.903 -4.803 1.00 0.00 N flip ATOM 0 H GLN A 99 14.382 5.578 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 99 13.273 7.496 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.461 6.005 -2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.885 6.856 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.682 8.655 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.471 8.757 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.067 8.490 -5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.561 7.570 -5.243 1.00 0.00 H new ATOM 1520 N GLU A 100 15.236 7.705 -1.734 1.00 0.00 N ATOM 1521 CA GLU A 100 16.056 8.567 -0.891 1.00 0.00 C ATOM 1522 C GLU A 100 17.450 7.972 -0.694 1.00 0.00 C ATOM 1523 O GLU A 100 18.321 8.118 -1.552 1.00 0.00 O ATOM 1524 CB GLU A 100 15.376 8.791 0.464 1.00 0.00 C ATOM 1525 CG GLU A 100 15.501 10.214 0.979 1.00 0.00 C ATOM 1526 CD GLU A 100 14.894 10.391 2.358 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.670 10.196 2.499 1.00 0.00 O ATOM 1528 OE2 GLU A 100 15.646 10.723 3.299 1.00 0.00 O ATOM 0 H GLU A 100 15.644 6.790 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 100 16.164 9.529 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.320 8.536 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.809 8.109 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.554 10.494 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.012 10.893 0.281 1.00 0.00 H new ATOM 1535 N ARG A 101 17.651 7.300 0.434 1.00 0.00 N ATOM 1536 CA ARG A 101 18.937 6.681 0.740 1.00 0.00 C ATOM 1537 C ARG A 101 18.735 5.376 1.498 1.00 0.00 C ATOM 1538 O ARG A 101 19.694 4.750 1.951 1.00 0.00 O ATOM 1539 CB ARG A 101 19.808 7.635 1.562 1.00 0.00 C ATOM 1540 CG ARG A 101 19.012 8.636 2.384 1.00 0.00 C ATOM 1541 CD ARG A 101 19.726 9.976 2.474 1.00 0.00 C ATOM 1542 NE ARG A 101 19.546 10.604 3.780 1.00 0.00 N ATOM 1543 CZ ARG A 101 19.476 11.919 3.964 1.00 0.00 C ATOM 1544 NH1 ARG A 101 19.563 12.743 2.928 1.00 0.00 N ATOM 1545 NH2 ARG A 101 19.317 12.413 5.186 1.00 0.00 N ATOM 0 H ARG A 101 16.939 7.169 1.153 1.00 0.00 H new ATOM 0 HA ARG A 101 19.444 6.464 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.440 7.051 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.472 8.178 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.028 8.776 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.852 8.240 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.790 9.834 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.349 10.641 1.697 1.00 0.00 H new ATOM 0 HE ARG A 101 19.470 9.999 4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.684 12.368 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.509 13.751 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.248 11.783 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.264 13.422 5.325 1.00 0.00 H new ATOM 1559 N ARG A 102 17.475 4.972 1.628 1.00 0.00 N ATOM 1560 CA ARG A 102 17.132 3.741 2.329 1.00 0.00 C ATOM 1561 C ARG A 102 16.120 2.932 1.523 1.00 0.00 C ATOM 1562 O ARG A 102 15.239 3.497 0.875 1.00 0.00 O ATOM 1563 CB ARG A 102 16.566 4.062 3.719 1.00 0.00 C ATOM 1564 CG ARG A 102 15.686 2.962 4.298 1.00 0.00 C ATOM 1565 CD ARG A 102 14.216 3.347 4.264 1.00 0.00 C ATOM 1566 NE ARG A 102 13.975 4.649 4.881 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.606 5.731 4.202 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.438 5.668 2.887 1.00 0.00 N ATOM 1569 NH2 ARG A 102 13.404 6.878 4.835 1.00 0.00 N ATOM 0 H ARG A 102 16.673 5.481 1.256 1.00 0.00 H new ATOM 0 HA ARG A 102 18.038 3.146 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.394 4.249 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.987 4.984 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.835 2.041 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.986 2.758 5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.871 3.367 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.630 2.587 4.781 1.00 0.00 H new ATOM 0 HE ARG A 102 14.097 4.733 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.592 4.788 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.155 6.500 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.532 6.932 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.121 7.706 4.312 1.00 0.00 H new ATOM 1583 N LEU A 103 16.250 1.609 1.576 1.00 0.00 N ATOM 1584 CA LEU A 103 15.342 0.722 0.858 1.00 0.00 C ATOM 1585 C LEU A 103 13.903 0.969 1.294 1.00 0.00 C ATOM 1586 O LEU A 103 13.426 0.377 2.262 1.00 0.00 O ATOM 1587 CB LEU A 103 15.718 -0.738 1.110 1.00 0.00 C ATOM 1588 CG LEU A 103 16.153 -1.521 -0.126 1.00 0.00 C ATOM 1589 CD1 LEU A 103 17.670 -1.578 -0.211 1.00 0.00 C ATOM 1590 CD2 LEU A 103 15.568 -2.925 -0.099 1.00 0.00 C ATOM 0 H LEU A 103 16.975 1.129 2.109 1.00 0.00 H new ATOM 0 HA LEU A 103 15.428 0.931 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.526 -0.767 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.863 -1.244 1.559 1.00 0.00 H new ATOM 0 HG LEU A 103 15.777 -1.008 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.964 -2.140 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 103 18.069 -0.566 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 103 18.066 -2.070 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 103 15.888 -3.470 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 103 15.916 -3.447 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.480 -2.865 -0.082 1.00 0.00 H new ATOM 1602 N CYS A 104 13.220 1.856 0.581 1.00 0.00 N ATOM 1603 CA CYS A 104 11.841 2.193 0.903 1.00 0.00 C ATOM 1604 C CYS A 104 10.860 1.399 0.048 1.00 0.00 C ATOM 1605 O CYS A 104 10.969 1.362 -1.177 1.00 0.00 O ATOM 1606 CB CYS A 104 11.608 3.698 0.724 1.00 0.00 C ATOM 1607 SG CYS A 104 10.357 4.127 -0.510 1.00 0.00 S ATOM 0 H CYS A 104 13.599 2.354 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 104 11.665 1.927 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.313 4.123 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.551 4.167 0.444 1.00 0.00 H new ATOM 0 HG CYS A 104 10.317 3.206 -1.426 1.00 0.00 H new ATOM 1613 N CYS A 105 9.902 0.770 0.714 1.00 0.00 N ATOM 1614 CA CYS A 105 8.883 -0.026 0.041 1.00 0.00 C ATOM 1615 C CYS A 105 7.771 0.867 -0.503 1.00 0.00 C ATOM 1616 O CYS A 105 7.189 1.662 0.235 1.00 0.00 O ATOM 1617 CB CYS A 105 8.303 -1.044 1.020 1.00 0.00 C ATOM 1618 SG CYS A 105 8.101 -2.703 0.329 1.00 0.00 S ATOM 0 H CYS A 105 9.808 0.796 1.729 1.00 0.00 H new ATOM 0 HA CYS A 105 9.343 -0.548 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.953 -1.103 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.334 -0.686 1.367 1.00 0.00 H new ATOM 0 HG CYS A 105 7.416 -3.437 1.155 1.00 0.00 H new ATOM 1624 N VAL A 106 7.477 0.735 -1.791 1.00 0.00 N ATOM 1625 CA VAL A 106 6.434 1.536 -2.422 1.00 0.00 C ATOM 1626 C VAL A 106 5.226 0.680 -2.797 1.00 0.00 C ATOM 1627 O VAL A 106 5.371 -0.423 -3.323 1.00 0.00 O ATOM 1628 CB VAL A 106 6.962 2.252 -3.682 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.822 2.886 -4.467 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.998 3.298 -3.301 1.00 0.00 C ATOM 0 H VAL A 106 7.945 0.082 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 106 6.125 2.284 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 106 7.438 1.509 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.221 3.384 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.117 2.113 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.310 3.615 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.361 3.795 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.544 4.035 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.832 2.815 -2.791 1.00 0.00 H new ATOM 1640 N VAL A 107 4.033 1.204 -2.525 1.00 0.00 N ATOM 1641 CA VAL A 107 2.793 0.503 -2.831 1.00 0.00 C ATOM 1642 C VAL A 107 1.890 1.370 -3.708 1.00 0.00 C ATOM 1643 O VAL A 107 1.740 2.567 -3.465 1.00 0.00 O ATOM 1644 CB VAL A 107 2.043 0.106 -1.531 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.570 0.497 -1.586 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.187 -1.382 -1.266 1.00 0.00 C ATOM 0 H VAL A 107 3.901 2.117 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 107 3.049 -0.407 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 107 2.500 0.657 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.080 0.202 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.485 1.576 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.091 -0.007 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.655 -1.642 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.767 -1.943 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.242 -1.631 -1.155 1.00 0.00 H new ATOM 1656 N VAL A 108 1.288 0.759 -4.722 1.00 0.00 N ATOM 1657 CA VAL A 108 0.398 1.481 -5.626 1.00 0.00 C ATOM 1658 C VAL A 108 -0.908 0.722 -5.821 1.00 0.00 C ATOM 1659 O VAL A 108 -0.911 -0.413 -6.303 1.00 0.00 O ATOM 1660 CB VAL A 108 1.046 1.718 -7.002 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.344 2.851 -7.734 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.533 2.008 -6.858 1.00 0.00 C ATOM 0 H VAL A 108 1.399 -0.231 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 108 0.199 2.447 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 108 0.936 0.808 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.816 3.004 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.706 2.596 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.419 3.766 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.969 2.172 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.672 2.900 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.024 1.160 -6.380 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.014 1.348 -5.439 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.324 0.725 -5.567 1.00 0.00 C ATOM 1674 C LEU A 109 -4.043 1.215 -6.816 1.00 0.00 C ATOM 1675 O LEU A 109 -3.952 2.389 -7.179 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.159 1.025 -4.326 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.337 1.249 -3.058 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.112 2.093 -2.064 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.940 -0.086 -2.447 1.00 0.00 C ATOM 0 H LEU A 109 -2.029 2.286 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.187 -0.352 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.764 1.912 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.849 0.198 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.427 1.789 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.511 2.242 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.344 3.060 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.039 1.584 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.355 0.087 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.837 -0.652 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.344 -0.651 -3.163 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.759 0.309 -7.472 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.496 0.650 -8.681 1.00 0.00 C ATOM 1693 C GLU A 110 -6.816 -0.110 -8.747 1.00 0.00 C ATOM 1694 O GLU A 110 -6.830 -1.336 -8.859 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.654 0.336 -9.918 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.878 1.304 -11.069 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.692 1.377 -12.010 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.373 0.348 -12.643 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -3.082 2.461 -12.116 1.00 0.00 O ATOM 0 H GLU A 110 -4.844 -0.666 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.713 1.718 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.599 0.350 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.882 -0.675 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.762 0.999 -11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.081 2.297 -10.669 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.951 0.609 -8.685 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.277 -0.011 -8.747 1.00 0.00 C ATOM 1708 C PRO A 111 -9.440 -0.873 -9.993 1.00 0.00 C ATOM 1709 O PRO A 111 -9.051 -0.470 -11.090 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.234 1.183 -8.791 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.469 2.307 -8.184 1.00 0.00 C ATOM 1712 CD PRO A 111 -8.034 2.076 -8.557 1.00 0.00 C ATOM 0 HA PRO A 111 -9.458 -0.679 -7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.531 1.414 -9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.147 0.979 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.821 3.267 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.593 2.324 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.775 2.577 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.354 2.453 -7.793 1.00 0.00 H new ATOM 1720 N VAL A 112 -10.011 -2.059 -9.821 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.218 -2.974 -10.938 1.00 0.00 C ATOM 1722 C VAL A 112 -11.251 -2.425 -11.918 1.00 0.00 C ATOM 1723 O VAL A 112 -12.195 -1.741 -11.521 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.675 -4.362 -10.452 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.600 -5.013 -9.594 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.986 -4.258 -9.685 1.00 0.00 C ATOM 0 H VAL A 112 -10.339 -2.410 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.258 -3.073 -11.445 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.840 -4.992 -11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.944 -5.992 -9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.688 -5.128 -10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.398 -4.385 -8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.291 -5.249 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.851 -3.609 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.756 -3.841 -10.335 1.00 0.00 H new