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 -106:sc= -0.313 (180deg=-3.36!) USER MOD Set 1.2: A 105 CYS SG : rot -170:sc= -2.57! USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0.978 USER MOD Set 2.2: A 84 SER OG : rot -23:sc= -0.105 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 99 GLN :FLIP amide:sc= -0.689 F(o=-2.6!,f=-0.69) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.851 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 25 ASN : amide:sc= -7.94! C(o=-7.9!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0187 (180deg=-0.258) USER MOD Single : A 29 CYS SG : rot 112:sc= -1.01 USER MOD Single : A 34 TYR OH : rot 101:sc= 0.158 USER MOD Single : A 35 SER OG : rot -113:sc= -0.698 USER MOD Single : A 36 SER OG : rot -84:sc= 0.385 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.308 F(o=-1.5,f=-0.31) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0149) USER MOD Single : A 45 THR OG1 : rot -173:sc= -1.02 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.25 F(o=-3.9!,f=-1.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.22 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 164:sc= 0 (180deg=-0.215) USER MOD Single : A 104 CYS SG : rot 28:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -3.725 8.689 -8.811 1.00 0.00 N ATOM 113 CA LYS A 9 -2.836 7.555 -8.582 1.00 0.00 C ATOM 114 C LYS A 9 -2.608 7.309 -7.091 1.00 0.00 C ATOM 115 O LYS A 9 -2.171 8.198 -6.351 1.00 0.00 O ATOM 116 CB LYS A 9 -1.496 7.786 -9.281 1.00 0.00 C ATOM 117 CG LYS A 9 -1.075 6.634 -10.179 1.00 0.00 C ATOM 118 CD LYS A 9 0.407 6.328 -10.037 1.00 0.00 C ATOM 119 CE LYS A 9 0.759 4.983 -10.655 1.00 0.00 C ATOM 120 NZ LYS A 9 1.873 5.099 -11.637 1.00 0.00 N ATOM 0 HA LYS A 9 -3.316 6.670 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.558 8.697 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.725 7.950 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.656 5.746 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.299 6.880 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.990 7.114 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.680 6.328 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.040 4.284 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.120 4.569 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.083 4.162 -12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.595 5.747 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.719 5.470 -11.160 1.00 0.00 H new ATOM 134 N ALA A 10 -2.912 6.091 -6.655 1.00 0.00 N ATOM 135 CA ALA A 10 -2.738 5.728 -5.258 1.00 0.00 C ATOM 136 C ALA A 10 -1.279 5.413 -4.957 1.00 0.00 C ATOM 137 O ALA A 10 -0.820 4.294 -5.174 1.00 0.00 O ATOM 138 CB ALA A 10 -3.624 4.544 -4.902 1.00 0.00 C ATOM 0 H ALA A 10 -3.278 5.345 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.034 6.580 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.481 4.285 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.668 4.807 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.358 3.690 -5.525 1.00 0.00 H new ATOM 144 N ILE A 11 -0.552 6.411 -4.465 1.00 0.00 N ATOM 145 CA ILE A 11 0.860 6.236 -4.145 1.00 0.00 C ATOM 146 C ILE A 11 1.107 6.283 -2.641 1.00 0.00 C ATOM 147 O ILE A 11 0.907 7.315 -1.999 1.00 0.00 O ATOM 148 CB ILE A 11 1.722 7.314 -4.831 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.564 7.234 -6.351 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.185 7.155 -4.437 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.314 8.575 -7.003 1.00 0.00 C ATOM 0 H ILE A 11 -0.916 7.346 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 11 1.146 5.252 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 11 1.381 8.295 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.464 6.793 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.737 6.564 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.780 7.924 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.284 7.257 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.539 6.170 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.212 8.443 -8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.398 9.009 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.152 9.241 -6.797 1.00 0.00 H new ATOM 163 N PHE A 12 1.563 5.162 -2.093 1.00 0.00 N ATOM 164 CA PHE A 12 1.868 5.064 -0.670 1.00 0.00 C ATOM 165 C PHE A 12 3.348 4.747 -0.484 1.00 0.00 C ATOM 166 O PHE A 12 3.793 3.641 -0.786 1.00 0.00 O ATOM 167 CB PHE A 12 1.019 3.969 -0.013 1.00 0.00 C ATOM 168 CG PHE A 12 -0.366 4.408 0.380 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.390 4.426 -0.553 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.645 4.790 1.684 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.666 4.819 -0.192 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.920 5.182 2.049 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.932 5.198 1.109 1.00 0.00 C ATOM 0 H PHE A 12 1.730 4.303 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 12 1.636 6.018 -0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.939 3.127 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.538 3.607 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.190 4.130 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.143 4.781 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.456 4.829 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.124 5.475 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.928 5.506 1.391 1.00 0.00 H new ATOM 183 N THR A 13 4.113 5.720 0.004 1.00 0.00 N ATOM 184 CA THR A 13 5.544 5.521 0.211 1.00 0.00 C ATOM 185 C THR A 13 5.840 5.017 1.614 1.00 0.00 C ATOM 186 O THR A 13 5.436 5.627 2.602 1.00 0.00 O ATOM 187 CB THR A 13 6.343 6.811 -0.035 1.00 0.00 C ATOM 188 OG1 THR A 13 5.937 7.415 -1.271 1.00 0.00 O ATOM 189 CG2 THR A 13 7.834 6.512 -0.078 1.00 0.00 C ATOM 0 H THR A 13 3.770 6.646 0.261 1.00 0.00 H new ATOM 0 HA THR A 13 5.855 4.769 -0.514 1.00 0.00 H new ATOM 0 HB THR A 13 6.144 7.501 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.451 8.237 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.385 7.436 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.146 6.078 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.041 5.808 -0.884 1.00 0.00 H new ATOM 197 N VAL A 14 6.542 3.892 1.687 1.00 0.00 N ATOM 198 CA VAL A 14 6.902 3.273 2.961 1.00 0.00 C ATOM 199 C VAL A 14 8.297 2.665 2.878 1.00 0.00 C ATOM 200 O VAL A 14 8.906 2.661 1.815 1.00 0.00 O ATOM 201 CB VAL A 14 5.894 2.166 3.358 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.519 2.454 2.785 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.369 0.792 2.896 1.00 0.00 C ATOM 0 H VAL A 14 6.877 3.383 0.869 1.00 0.00 H new ATOM 0 HA VAL A 14 6.881 4.055 3.720 1.00 0.00 H new ATOM 0 HB VAL A 14 5.829 2.162 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.830 1.662 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.158 3.409 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.580 2.498 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.640 0.037 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.476 0.790 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.331 0.566 3.356 1.00 0.00 H new ATOM 213 N ASP A 15 8.785 2.135 3.995 1.00 0.00 N ATOM 214 CA ASP A 15 10.095 1.493 4.027 1.00 0.00 C ATOM 215 C ASP A 15 9.930 -0.007 3.793 1.00 0.00 C ATOM 216 O ASP A 15 8.864 -0.559 4.043 1.00 0.00 O ATOM 217 CB ASP A 15 10.785 1.742 5.368 1.00 0.00 C ATOM 218 CG ASP A 15 10.812 3.212 5.742 1.00 0.00 C ATOM 219 OD1 ASP A 15 11.067 4.045 4.847 1.00 0.00 O ATOM 220 OD2 ASP A 15 10.577 3.528 6.926 1.00 0.00 O ATOM 0 H ASP A 15 8.294 2.137 4.889 1.00 0.00 H new ATOM 0 HA ASP A 15 10.717 1.919 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.270 1.181 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.806 1.363 5.324 1.00 0.00 H new ATOM 225 N ALA A 16 10.968 -0.671 3.304 1.00 0.00 N ATOM 226 CA ALA A 16 10.878 -2.105 3.045 1.00 0.00 C ATOM 227 C ALA A 16 11.280 -2.913 4.264 1.00 0.00 C ATOM 228 O ALA A 16 10.886 -4.070 4.411 1.00 0.00 O ATOM 229 CB ALA A 16 11.725 -2.485 1.842 1.00 0.00 C ATOM 0 H ALA A 16 11.870 -0.250 3.081 1.00 0.00 H new ATOM 0 HA ALA A 16 9.837 -2.340 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.645 -3.558 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.372 -1.945 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.766 -2.226 2.034 1.00 0.00 H new ATOM 235 N LYS A 17 12.046 -2.297 5.149 1.00 0.00 N ATOM 236 CA LYS A 17 12.470 -2.971 6.362 1.00 0.00 C ATOM 237 C LYS A 17 11.280 -3.155 7.297 1.00 0.00 C ATOM 238 O LYS A 17 10.861 -4.279 7.574 1.00 0.00 O ATOM 239 CB LYS A 17 13.573 -2.172 7.061 1.00 0.00 C ATOM 240 CG LYS A 17 14.323 -2.966 8.119 1.00 0.00 C ATOM 241 CD LYS A 17 13.943 -2.521 9.524 1.00 0.00 C ATOM 242 CE LYS A 17 14.653 -1.235 9.909 1.00 0.00 C ATOM 243 NZ LYS A 17 14.759 -1.082 11.386 1.00 0.00 N ATOM 0 H LYS A 17 12.384 -1.340 5.051 1.00 0.00 H new ATOM 0 HA LYS A 17 12.869 -3.950 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.283 -1.818 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.132 -1.290 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.105 -4.028 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.396 -2.843 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.864 -2.374 9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.196 -3.306 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.651 -1.225 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.114 -0.384 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.250 -0.192 11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.806 -1.066 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.295 -1.881 11.780 1.00 0.00 H new ATOM 257 N THR A 18 10.757 -2.041 7.797 1.00 0.00 N ATOM 258 CA THR A 18 9.633 -2.096 8.726 1.00 0.00 C ATOM 259 C THR A 18 8.321 -1.589 8.140 1.00 0.00 C ATOM 260 O THR A 18 7.274 -1.718 8.774 1.00 0.00 O ATOM 261 CB THR A 18 9.938 -1.338 10.031 1.00 0.00 C ATOM 262 OG1 THR A 18 8.826 -1.436 10.928 1.00 0.00 O ATOM 263 CG2 THR A 18 10.241 0.126 9.748 1.00 0.00 C ATOM 0 H THR A 18 11.087 -1.101 7.579 1.00 0.00 H new ATOM 0 HA THR A 18 9.501 -3.157 8.939 1.00 0.00 H new ATOM 0 HB THR A 18 10.815 -1.792 10.492 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.015 -1.653 10.422 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.453 0.641 10.685 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.107 0.198 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.380 0.589 9.266 1.00 0.00 H new ATOM 271 N THR A 19 8.385 -1.004 6.952 1.00 0.00 N ATOM 272 CA THR A 19 7.196 -0.462 6.283 1.00 0.00 C ATOM 273 C THR A 19 6.861 0.934 6.810 1.00 0.00 C ATOM 274 O THR A 19 7.691 1.839 6.732 1.00 0.00 O ATOM 275 CB THR A 19 5.969 -1.395 6.426 1.00 0.00 C ATOM 276 OG1 THR A 19 6.387 -2.765 6.390 1.00 0.00 O ATOM 277 CG2 THR A 19 4.959 -1.144 5.316 1.00 0.00 C ATOM 0 H THR A 19 9.250 -0.889 6.424 1.00 0.00 H new ATOM 0 HA THR A 19 7.436 -0.392 5.222 1.00 0.00 H new ATOM 0 HB THR A 19 5.494 -1.182 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.605 -3.348 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.107 -1.813 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.618 -0.110 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.427 -1.329 4.349 1.00 0.00 H new ATOM 285 N GLU A 20 5.648 1.112 7.338 1.00 0.00 N ATOM 286 CA GLU A 20 5.219 2.407 7.863 1.00 0.00 C ATOM 287 C GLU A 20 5.185 3.452 6.751 1.00 0.00 C ATOM 288 O GLU A 20 6.226 3.864 6.238 1.00 0.00 O ATOM 289 CB GLU A 20 6.146 2.870 8.990 1.00 0.00 C ATOM 290 CG GLU A 20 5.685 2.436 10.371 1.00 0.00 C ATOM 291 CD GLU A 20 6.504 3.064 11.482 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.718 3.280 11.278 1.00 0.00 O ATOM 293 OE2 GLU A 20 5.934 3.342 12.558 1.00 0.00 O ATOM 0 H GLU A 20 4.947 0.375 7.413 1.00 0.00 H new ATOM 0 HA GLU A 20 4.213 2.291 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.147 2.478 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.220 3.957 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.637 2.704 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.748 1.350 10.447 1.00 0.00 H new ATOM 300 N ILE A 21 3.981 3.868 6.375 1.00 0.00 N ATOM 301 CA ILE A 21 3.811 4.854 5.313 1.00 0.00 C ATOM 302 C ILE A 21 4.423 6.198 5.687 1.00 0.00 C ATOM 303 O ILE A 21 3.885 6.931 6.519 1.00 0.00 O ATOM 304 CB ILE A 21 2.326 5.070 4.955 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.483 3.855 5.347 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.188 5.353 3.469 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.263 4.208 6.168 1.00 0.00 C ATOM 0 H ILE A 21 3.109 3.539 6.789 1.00 0.00 H new ATOM 0 HA ILE A 21 4.331 4.448 4.445 1.00 0.00 H new ATOM 0 HB ILE A 21 1.958 5.928 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.165 3.336 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.103 3.159 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.137 5.504 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.753 6.250 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.575 4.508 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.288 3.299 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.574 4.700 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.378 4.879 5.597 1.00 0.00 H new ATOM 319 N LEU A 22 5.546 6.519 5.054 1.00 0.00 N ATOM 320 CA LEU A 22 6.235 7.779 5.301 1.00 0.00 C ATOM 321 C LEU A 22 5.346 8.958 4.919 1.00 0.00 C ATOM 322 O LEU A 22 5.380 10.007 5.565 1.00 0.00 O ATOM 323 CB LEU A 22 7.545 7.841 4.510 1.00 0.00 C ATOM 324 CG LEU A 22 8.255 6.499 4.313 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.499 6.676 3.457 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.614 5.885 5.657 1.00 0.00 C ATOM 0 H LEU A 22 6.000 5.921 4.363 1.00 0.00 H new ATOM 0 HA LEU A 22 6.463 7.837 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.338 8.271 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.226 8.522 5.020 1.00 0.00 H new ATOM 0 HG LEU A 22 7.576 5.821 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.991 5.712 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.216 7.073 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.182 7.369 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.118 4.932 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.276 6.560 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.706 5.723 6.237 1.00 0.00 H new ATOM 338 N VAL A 23 4.546 8.777 3.867 1.00 0.00 N ATOM 339 CA VAL A 23 3.642 9.826 3.398 1.00 0.00 C ATOM 340 C VAL A 23 2.802 9.353 2.211 1.00 0.00 C ATOM 341 O VAL A 23 3.168 8.404 1.515 1.00 0.00 O ATOM 342 CB VAL A 23 4.422 11.105 3.005 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.558 11.238 1.493 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.754 12.335 3.596 1.00 0.00 C ATOM 0 H VAL A 23 4.506 7.914 3.325 1.00 0.00 H new ATOM 0 HA VAL A 23 2.973 10.061 4.226 1.00 0.00 H new ATOM 0 HB VAL A 23 5.428 11.021 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.111 12.147 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.093 10.374 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.567 11.288 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.314 13.226 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.734 12.412 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.734 12.251 4.683 1.00 0.00 H new ATOM 354 N ALA A 24 1.683 10.035 1.980 1.00 0.00 N ATOM 355 CA ALA A 24 0.792 9.708 0.871 1.00 0.00 C ATOM 356 C ALA A 24 0.308 10.984 0.191 1.00 0.00 C ATOM 357 O ALA A 24 0.398 12.069 0.763 1.00 0.00 O ATOM 358 CB ALA A 24 -0.388 8.878 1.350 1.00 0.00 C ATOM 0 H ALA A 24 1.371 10.821 2.550 1.00 0.00 H new ATOM 0 HA ALA A 24 1.349 9.115 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.037 8.647 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.025 7.950 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.949 9.440 2.096 1.00 0.00 H new ATOM 364 N ASN A 25 -0.168 10.861 -1.040 1.00 0.00 N ATOM 365 CA ASN A 25 -0.621 12.027 -1.792 1.00 0.00 C ATOM 366 C ASN A 25 -2.140 12.204 -1.770 1.00 0.00 C ATOM 367 O ASN A 25 -2.876 11.391 -1.210 1.00 0.00 O ATOM 368 CB ASN A 25 -0.127 11.941 -3.237 1.00 0.00 C ATOM 369 CG ASN A 25 -0.634 10.706 -3.957 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.744 9.626 -3.372 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.943 10.857 -5.238 1.00 0.00 N ATOM 0 H ASN A 25 -0.251 9.974 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.195 12.902 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.448 12.830 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.963 11.939 -3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.286 10.062 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.837 11.768 -5.684 1.00 0.00 H new ATOM 378 N ASP A 26 -2.580 13.300 -2.391 1.00 0.00 N ATOM 379 CA ASP A 26 -3.998 13.656 -2.471 1.00 0.00 C ATOM 380 C ASP A 26 -4.766 12.718 -3.392 1.00 0.00 C ATOM 381 O ASP A 26 -5.991 12.793 -3.482 1.00 0.00 O ATOM 382 CB ASP A 26 -4.157 15.103 -2.945 1.00 0.00 C ATOM 383 CG ASP A 26 -3.668 15.303 -4.367 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.437 15.293 -4.579 1.00 0.00 O ATOM 385 OD2 ASP A 26 -4.516 15.471 -5.268 1.00 0.00 O ATOM 0 H ASP A 26 -1.962 13.967 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.417 13.556 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.207 15.390 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.604 15.764 -2.277 1.00 0.00 H new ATOM 390 N LYS A 27 -4.051 11.818 -4.051 1.00 0.00 N ATOM 391 CA LYS A 27 -4.682 10.848 -4.930 1.00 0.00 C ATOM 392 C LYS A 27 -4.955 9.579 -4.137 1.00 0.00 C ATOM 393 O LYS A 27 -6.106 9.247 -3.856 1.00 0.00 O ATOM 394 CB LYS A 27 -3.788 10.561 -6.132 1.00 0.00 C ATOM 395 CG LYS A 27 -3.728 11.711 -7.121 1.00 0.00 C ATOM 396 CD LYS A 27 -2.420 11.718 -7.890 1.00 0.00 C ATOM 397 CE LYS A 27 -1.576 12.932 -7.538 1.00 0.00 C ATOM 398 NZ LYS A 27 -2.232 14.203 -7.952 1.00 0.00 N ATOM 0 H LYS A 27 -3.036 11.740 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.624 11.245 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.780 10.338 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.152 9.670 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.561 11.635 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.843 12.655 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.862 10.808 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.626 11.714 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.396 12.950 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.603 12.851 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.510 14.941 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.739 14.056 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.905 14.501 -7.218 1.00 0.00 H new ATOM 412 N ALA A 28 -3.880 8.898 -3.752 1.00 0.00 N ATOM 413 CA ALA A 28 -3.981 7.685 -2.944 1.00 0.00 C ATOM 414 C ALA A 28 -4.961 7.883 -1.794 1.00 0.00 C ATOM 415 O ALA A 28 -5.835 7.049 -1.546 1.00 0.00 O ATOM 416 CB ALA A 28 -2.616 7.317 -2.393 1.00 0.00 C ATOM 0 H ALA A 28 -2.924 9.166 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.347 6.878 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.698 6.412 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.925 7.143 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.242 8.132 -1.773 1.00 0.00 H new ATOM 422 N CYS A 29 -4.806 9.003 -1.095 1.00 0.00 N ATOM 423 CA CYS A 29 -5.671 9.329 0.027 1.00 0.00 C ATOM 424 C CYS A 29 -7.125 9.339 -0.420 1.00 0.00 C ATOM 425 O CYS A 29 -8.001 8.830 0.277 1.00 0.00 O ATOM 426 CB CYS A 29 -5.275 10.686 0.613 1.00 0.00 C ATOM 427 SG CYS A 29 -6.312 12.069 0.081 1.00 0.00 S ATOM 0 H CYS A 29 -4.087 9.700 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.555 8.570 0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.309 10.621 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.242 10.898 0.339 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.001 12.509 1.092 1.00 0.00 H new ATOM 433 N GLY A 30 -7.368 9.905 -1.598 1.00 0.00 N ATOM 434 CA GLY A 30 -8.718 9.942 -2.129 1.00 0.00 C ATOM 435 C GLY A 30 -9.286 8.545 -2.281 1.00 0.00 C ATOM 436 O GLY A 30 -10.460 8.305 -1.996 1.00 0.00 O ATOM 0 H GLY A 30 -6.659 10.336 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.356 10.527 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.717 10.444 -3.096 1.00 0.00 H new ATOM 440 N LEU A 31 -8.431 7.624 -2.722 1.00 0.00 N ATOM 441 CA LEU A 31 -8.816 6.228 -2.908 1.00 0.00 C ATOM 442 C LEU A 31 -9.559 5.719 -1.671 1.00 0.00 C ATOM 443 O LEU A 31 -10.703 5.271 -1.771 1.00 0.00 O ATOM 444 CB LEU A 31 -7.560 5.386 -3.204 1.00 0.00 C ATOM 445 CG LEU A 31 -7.719 3.858 -3.219 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.349 3.280 -1.864 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.127 3.436 -3.629 1.00 0.00 C ATOM 0 H LEU A 31 -7.459 7.823 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.494 6.140 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.170 5.693 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.803 5.638 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.037 3.458 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.466 2.196 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.313 3.529 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.002 3.699 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.196 2.348 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.850 3.847 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.342 3.811 -4.630 1.00 0.00 H new ATOM 459 N LEU A 32 -8.922 5.810 -0.505 1.00 0.00 N ATOM 460 CA LEU A 32 -9.575 5.369 0.729 1.00 0.00 C ATOM 461 C LEU A 32 -10.295 6.531 1.409 1.00 0.00 C ATOM 462 O LEU A 32 -11.525 6.584 1.429 1.00 0.00 O ATOM 463 CB LEU A 32 -8.603 4.717 1.721 1.00 0.00 C ATOM 464 CG LEU A 32 -7.113 4.779 1.383 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.600 6.211 1.440 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.341 3.897 2.353 1.00 0.00 C ATOM 0 H LEU A 32 -7.977 6.176 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.299 4.610 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.748 5.186 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.882 3.669 1.828 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.965 4.415 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.538 6.227 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.147 6.822 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.747 6.611 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.278 3.938 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.499 4.251 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.692 2.869 2.268 1.00 0.00 H new ATOM 478 N GLY A 33 -9.523 7.455 1.967 1.00 0.00 N ATOM 479 CA GLY A 33 -10.100 8.602 2.645 1.00 0.00 C ATOM 480 C GLY A 33 -9.156 9.188 3.674 1.00 0.00 C ATOM 481 O GLY A 33 -9.583 9.857 4.614 1.00 0.00 O ATOM 0 H GLY A 33 -8.503 7.431 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.355 9.366 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.029 8.305 3.133 1.00 0.00 H new ATOM 485 N TYR A 34 -7.866 8.929 3.489 1.00 0.00 N ATOM 486 CA TYR A 34 -6.840 9.425 4.399 1.00 0.00 C ATOM 487 C TYR A 34 -6.107 10.615 3.784 1.00 0.00 C ATOM 488 O TYR A 34 -6.702 11.407 3.053 1.00 0.00 O ATOM 489 CB TYR A 34 -5.839 8.308 4.713 1.00 0.00 C ATOM 490 CG TYR A 34 -6.367 7.232 5.632 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.435 6.429 5.257 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.795 7.022 6.881 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.915 5.444 6.097 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.269 6.038 7.725 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.329 5.252 7.329 1.00 0.00 C ATOM 496 OH TYR A 34 -7.807 4.273 8.170 1.00 0.00 O ATOM 0 H TYR A 34 -7.505 8.375 2.712 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.322 9.750 5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.524 7.846 3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.951 8.750 5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.898 6.577 4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.966 7.639 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.746 4.827 5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.811 5.885 8.691 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.224 3.487 8.121 1.00 0.00 H new ATOM 506 N SER A 35 -4.808 10.714 4.073 1.00 0.00 N ATOM 507 CA SER A 35 -3.962 11.782 3.543 1.00 0.00 C ATOM 508 C SER A 35 -2.571 11.707 4.156 1.00 0.00 C ATOM 509 O SER A 35 -2.355 11.001 5.138 1.00 0.00 O ATOM 510 CB SER A 35 -4.565 13.159 3.794 1.00 0.00 C ATOM 511 OG SER A 35 -4.720 13.413 5.178 1.00 0.00 O ATOM 0 H SER A 35 -4.315 10.058 4.679 1.00 0.00 H new ATOM 0 HA SER A 35 -3.892 11.639 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.926 13.923 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.534 13.229 3.299 1.00 0.00 H new ATOM 0 HG SER A 35 -5.674 13.461 5.397 1.00 0.00 H new ATOM 517 N SER A 36 -1.631 12.435 3.566 1.00 0.00 N ATOM 518 CA SER A 36 -0.253 12.448 4.046 1.00 0.00 C ATOM 519 C SER A 36 -0.179 12.662 5.556 1.00 0.00 C ATOM 520 O SER A 36 0.717 12.142 6.216 1.00 0.00 O ATOM 521 CB SER A 36 0.539 13.547 3.336 1.00 0.00 C ATOM 522 OG SER A 36 -0.294 14.311 2.483 1.00 0.00 O ATOM 0 H SER A 36 -1.798 13.026 2.752 1.00 0.00 H new ATOM 0 HA SER A 36 0.180 11.473 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.003 14.200 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.346 13.100 2.755 1.00 0.00 H new ATOM 0 HG SER A 36 -0.385 13.855 1.620 1.00 0.00 H new ATOM 528 N GLN A 37 -1.109 13.443 6.093 1.00 0.00 N ATOM 529 CA GLN A 37 -1.127 13.737 7.524 1.00 0.00 C ATOM 530 C GLN A 37 -2.143 12.881 8.285 1.00 0.00 C ATOM 531 O GLN A 37 -2.153 12.877 9.515 1.00 0.00 O ATOM 532 CB GLN A 37 -1.432 15.218 7.749 1.00 0.00 C ATOM 533 CG GLN A 37 -2.832 15.624 7.317 1.00 0.00 C ATOM 534 CD GLN A 37 -2.873 17.002 6.685 1.00 0.00 C ATOM 535 OE1 GLN A 37 -3.342 17.963 7.294 1.00 0.00 O ATOM 536 NE2 GLN A 37 -2.379 17.105 5.457 1.00 0.00 N ATOM 0 H GLN A 37 -1.860 13.884 5.562 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.138 13.495 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.306 15.450 8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.704 15.817 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.215 14.891 6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.494 15.606 8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.000 16.282 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.379 18.007 4.981 1.00 0.00 H new ATOM 545 N ASP A 38 -3.013 12.187 7.557 1.00 0.00 N ATOM 546 CA ASP A 38 -4.042 11.364 8.193 1.00 0.00 C ATOM 547 C ASP A 38 -3.708 9.874 8.164 1.00 0.00 C ATOM 548 O ASP A 38 -4.425 9.068 8.755 1.00 0.00 O ATOM 549 CB ASP A 38 -5.393 11.594 7.513 1.00 0.00 C ATOM 550 CG ASP A 38 -6.091 12.843 8.012 1.00 0.00 C ATOM 551 OD1 ASP A 38 -6.066 13.087 9.236 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.664 13.578 7.178 1.00 0.00 O ATOM 0 H ASP A 38 -3.029 12.176 6.537 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.087 11.670 9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.245 11.671 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.035 10.730 7.686 1.00 0.00 H new ATOM 557 N LEU A 39 -2.636 9.501 7.474 1.00 0.00 N ATOM 558 CA LEU A 39 -2.256 8.090 7.386 1.00 0.00 C ATOM 559 C LEU A 39 -0.782 7.873 7.719 1.00 0.00 C ATOM 560 O LEU A 39 -0.346 6.740 7.927 1.00 0.00 O ATOM 561 CB LEU A 39 -2.575 7.543 5.991 1.00 0.00 C ATOM 562 CG LEU A 39 -1.766 8.150 4.844 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.563 7.278 4.517 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.647 8.328 3.618 1.00 0.00 C ATOM 0 H LEU A 39 -2.021 10.142 6.973 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.840 7.545 8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.412 6.465 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.634 7.704 5.790 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.401 9.129 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.000 7.727 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.077 7.197 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.903 6.285 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.060 8.761 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.037 7.359 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.477 8.992 3.860 1.00 0.00 H new ATOM 576 N ILE A 40 -0.015 8.958 7.774 1.00 0.00 N ATOM 577 CA ILE A 40 1.409 8.869 8.084 1.00 0.00 C ATOM 578 C ILE A 40 1.627 8.333 9.496 1.00 0.00 C ATOM 579 O ILE A 40 0.885 8.666 10.421 1.00 0.00 O ATOM 580 CB ILE A 40 2.104 10.239 7.943 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.631 10.084 8.060 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.564 11.226 8.972 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.179 10.262 9.463 1.00 0.00 C ATOM 0 H ILE A 40 -0.354 9.906 7.609 1.00 0.00 H new ATOM 0 HA ILE A 40 1.850 8.178 7.366 1.00 0.00 H new ATOM 0 HB ILE A 40 1.884 10.640 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.911 9.095 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.108 10.811 7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.068 12.186 8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.492 11.358 8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.745 10.841 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.262 10.136 9.450 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.935 11.261 9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.735 9.518 10.124 1.00 0.00 H new ATOM 595 N GLY A 41 2.653 7.504 9.655 1.00 0.00 N ATOM 596 CA GLY A 41 2.957 6.937 10.956 1.00 0.00 C ATOM 597 C GLY A 41 2.525 5.491 11.079 1.00 0.00 C ATOM 598 O GLY A 41 3.172 4.698 11.767 1.00 0.00 O ATOM 0 H GLY A 41 3.281 7.214 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.030 7.008 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.464 7.526 11.729 1.00 0.00 H new ATOM 602 N GLN A 42 1.429 5.140 10.412 1.00 0.00 N ATOM 603 CA GLN A 42 0.913 3.776 10.451 1.00 0.00 C ATOM 604 C GLN A 42 1.389 2.984 9.238 1.00 0.00 C ATOM 605 O GLN A 42 2.254 3.442 8.492 1.00 0.00 O ATOM 606 CB GLN A 42 -0.617 3.786 10.495 1.00 0.00 C ATOM 607 CG GLN A 42 -1.201 5.009 11.185 1.00 0.00 C ATOM 608 CD GLN A 42 -2.680 5.188 10.897 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.992 5.829 9.778 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.529 4.756 11.675 1.00 0.00 N flip ATOM 0 H GLN A 42 0.882 5.781 9.838 1.00 0.00 H new ATOM 0 HA GLN A 42 1.292 3.296 11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.001 3.737 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.963 2.890 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.052 4.921 12.261 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.661 5.898 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.242 4.269 12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.520 4.885 11.471 1.00 0.00 H new ATOM 619 N LYS A 43 0.817 1.800 9.045 1.00 0.00 N ATOM 620 CA LYS A 43 1.177 0.950 7.917 1.00 0.00 C ATOM 621 C LYS A 43 0.011 0.840 6.943 1.00 0.00 C ATOM 622 O LYS A 43 -1.117 0.585 7.352 1.00 0.00 O ATOM 623 CB LYS A 43 1.585 -0.442 8.404 1.00 0.00 C ATOM 624 CG LYS A 43 2.678 -0.424 9.459 1.00 0.00 C ATOM 625 CD LYS A 43 2.109 -0.602 10.858 1.00 0.00 C ATOM 626 CE LYS A 43 2.854 -1.680 11.629 1.00 0.00 C ATOM 627 NZ LYS A 43 4.285 -1.328 11.831 1.00 0.00 N ATOM 0 H LYS A 43 0.101 1.407 9.656 1.00 0.00 H new ATOM 0 HA LYS A 43 2.024 1.403 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.708 -0.946 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.925 -1.030 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.396 -1.218 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.222 0.519 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.170 0.342 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.053 -0.864 10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.377 -1.829 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.785 -2.625 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.738 -2.046 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.767 -1.293 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.352 -0.398 12.292 1.00 0.00 H new ATOM 641 N LEU A 44 0.283 1.073 5.659 1.00 0.00 N ATOM 642 CA LEU A 44 -0.755 1.031 4.629 1.00 0.00 C ATOM 643 C LEU A 44 -1.655 -0.196 4.762 1.00 0.00 C ATOM 644 O LEU A 44 -2.867 -0.099 4.589 1.00 0.00 O ATOM 645 CB LEU A 44 -0.138 1.064 3.223 1.00 0.00 C ATOM 646 CG LEU A 44 1.307 0.565 3.101 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.399 -0.928 3.387 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.847 0.868 1.712 1.00 0.00 C ATOM 0 H LEU A 44 1.215 1.293 5.307 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.370 1.919 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.763 0.465 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.177 2.090 2.857 1.00 0.00 H new ATOM 0 HG LEU A 44 1.911 1.088 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.435 -1.253 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.047 -1.127 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.781 -1.474 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.874 0.510 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.231 0.367 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.824 1.944 1.539 1.00 0.00 H new ATOM 660 N THR A 45 -1.057 -1.349 5.046 1.00 0.00 N ATOM 661 CA THR A 45 -1.804 -2.599 5.171 1.00 0.00 C ATOM 662 C THR A 45 -2.917 -2.511 6.205 1.00 0.00 C ATOM 663 O THR A 45 -3.816 -3.353 6.230 1.00 0.00 O ATOM 664 CB THR A 45 -0.870 -3.763 5.515 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.232 -3.535 6.776 1.00 0.00 O ATOM 666 CG2 THR A 45 0.170 -3.916 4.427 1.00 0.00 C ATOM 0 H THR A 45 -0.052 -1.445 5.195 1.00 0.00 H new ATOM 0 HA THR A 45 -2.266 -2.780 4.200 1.00 0.00 H new ATOM 0 HB THR A 45 -1.456 -4.679 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.442 -4.229 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.834 -4.745 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.325 -4.117 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.751 -2.997 4.347 1.00 0.00 H new ATOM 674 N GLN A 46 -2.870 -1.485 7.039 1.00 0.00 N ATOM 675 CA GLN A 46 -3.897 -1.290 8.050 1.00 0.00 C ATOM 676 C GLN A 46 -5.213 -0.961 7.367 1.00 0.00 C ATOM 677 O GLN A 46 -6.292 -1.158 7.923 1.00 0.00 O ATOM 678 CB GLN A 46 -3.498 -0.169 9.012 1.00 0.00 C ATOM 679 CG GLN A 46 -3.999 -0.379 10.433 1.00 0.00 C ATOM 680 CD GLN A 46 -3.572 0.730 11.373 1.00 0.00 C ATOM 681 OE1 GLN A 46 -2.342 1.201 11.216 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -4.343 1.160 12.234 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.136 -0.777 7.037 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.010 -2.206 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.411 -0.084 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.886 0.777 8.635 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.087 -0.444 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.626 -1.332 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.281 0.769 12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.043 1.907 12.860 1.00 0.00 H new ATOM 691 N PHE A 47 -5.112 -0.439 6.151 1.00 0.00 N ATOM 692 CA PHE A 47 -6.290 -0.064 5.384 1.00 0.00 C ATOM 693 C PHE A 47 -6.519 -1.026 4.222 1.00 0.00 C ATOM 694 O PHE A 47 -7.117 -0.659 3.211 1.00 0.00 O ATOM 695 CB PHE A 47 -6.155 1.371 4.859 1.00 0.00 C ATOM 696 CG PHE A 47 -5.143 2.198 5.602 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.296 2.451 6.959 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.040 2.722 4.949 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.367 3.209 7.645 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.108 3.481 5.632 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.270 3.724 6.979 1.00 0.00 C ATOM 0 H PHE A 47 -4.226 -0.266 5.676 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.152 -0.118 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.879 1.338 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.126 1.862 4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.151 2.051 7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.906 2.536 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.497 3.399 8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.253 3.884 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.541 4.316 7.513 1.00 0.00 H new ATOM 711 N PHE A 48 -6.047 -2.260 4.378 1.00 0.00 N ATOM 712 CA PHE A 48 -6.208 -3.283 3.347 1.00 0.00 C ATOM 713 C PHE A 48 -6.518 -4.641 3.973 1.00 0.00 C ATOM 714 O PHE A 48 -5.997 -4.971 5.039 1.00 0.00 O ATOM 715 CB PHE A 48 -4.951 -3.389 2.474 1.00 0.00 C ATOM 716 CG PHE A 48 -4.501 -2.078 1.893 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.339 -1.341 1.075 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.240 -1.583 2.168 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.930 -0.133 0.543 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.823 -0.376 1.638 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.668 0.348 0.827 1.00 0.00 C ATOM 0 H PHE A 48 -5.549 -2.577 5.210 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.046 -2.985 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.141 -3.808 3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.143 -4.089 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.327 -1.715 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.573 -2.146 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.595 0.433 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.835 -0.001 1.860 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.343 1.291 0.413 1.00 0.00 H new ATOM 731 N LEU A 49 -7.365 -5.407 3.284 1.00 0.00 N ATOM 732 CA LEU A 49 -7.792 -6.749 3.709 1.00 0.00 C ATOM 733 C LEU A 49 -7.385 -7.096 5.145 1.00 0.00 C ATOM 734 O LEU A 49 -6.298 -7.617 5.386 1.00 0.00 O ATOM 735 CB LEU A 49 -7.264 -7.826 2.741 1.00 0.00 C ATOM 736 CG LEU A 49 -5.939 -7.527 2.012 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.125 -6.445 0.958 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.840 -7.138 2.990 1.00 0.00 C ATOM 0 H LEU A 49 -7.782 -5.112 2.401 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.882 -6.733 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.140 -8.753 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.031 -8.009 1.988 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.631 -8.444 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.174 -6.255 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.860 -6.775 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.475 -5.529 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.920 -6.934 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.141 -6.245 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.671 -7.955 3.691 1.00 0.00 H new ATOM 750 N ARG A 50 -8.282 -6.819 6.091 1.00 0.00 N ATOM 751 CA ARG A 50 -8.045 -7.115 7.507 1.00 0.00 C ATOM 752 C ARG A 50 -6.812 -6.390 8.042 1.00 0.00 C ATOM 753 O ARG A 50 -5.680 -6.700 7.673 1.00 0.00 O ATOM 754 CB ARG A 50 -7.896 -8.622 7.720 1.00 0.00 C ATOM 755 CG ARG A 50 -7.867 -9.029 9.185 1.00 0.00 C ATOM 756 CD ARG A 50 -7.815 -10.540 9.341 1.00 0.00 C ATOM 757 NE ARG A 50 -9.088 -11.084 9.803 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.968 -11.682 9.003 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.713 -11.815 7.708 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.106 -12.147 9.500 1.00 0.00 N ATOM 0 H ARG A 50 -9.186 -6.387 5.902 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.911 -6.755 8.062 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.722 -9.134 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.978 -8.960 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.000 -8.582 9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.751 -8.640 9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.551 -10.995 8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.029 -10.805 10.048 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.316 -11.001 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.839 -11.458 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.391 -12.274 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.307 -12.046 10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.781 -12.605 8.887 1.00 0.00 H new ATOM 774 N SER A 51 -7.047 -5.416 8.914 1.00 0.00 N ATOM 775 CA SER A 51 -5.971 -4.631 9.511 1.00 0.00 C ATOM 776 C SER A 51 -5.442 -5.255 10.802 1.00 0.00 C ATOM 777 O SER A 51 -4.507 -4.730 11.406 1.00 0.00 O ATOM 778 CB SER A 51 -6.463 -3.216 9.801 1.00 0.00 C ATOM 779 OG SER A 51 -6.803 -3.062 11.170 1.00 0.00 O ATOM 0 H SER A 51 -7.981 -5.149 9.226 1.00 0.00 H new ATOM 0 HA SER A 51 -5.152 -4.609 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.689 -2.497 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.332 -2.996 9.181 1.00 0.00 H new ATOM 0 HG SER A 51 -7.113 -2.146 11.329 1.00 0.00 H new ATOM 785 N ASP A 52 -6.059 -6.344 11.251 1.00 0.00 N ATOM 786 CA ASP A 52 -5.649 -6.978 12.502 1.00 0.00 C ATOM 787 C ASP A 52 -4.478 -7.948 12.334 1.00 0.00 C ATOM 788 O ASP A 52 -3.363 -7.663 12.772 1.00 0.00 O ATOM 789 CB ASP A 52 -6.836 -7.711 13.126 1.00 0.00 C ATOM 790 CG ASP A 52 -6.990 -7.411 14.604 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.184 -7.932 15.404 1.00 0.00 O ATOM 792 OD2 ASP A 52 -7.917 -6.655 14.964 1.00 0.00 O ATOM 0 H ASP A 52 -6.836 -6.802 10.775 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.306 -6.178 13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.750 -7.427 12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.710 -8.785 12.987 1.00 0.00 H new ATOM 797 N SER A 53 -4.739 -9.108 11.736 1.00 0.00 N ATOM 798 CA SER A 53 -3.704 -10.127 11.559 1.00 0.00 C ATOM 799 C SER A 53 -3.007 -10.040 10.202 1.00 0.00 C ATOM 800 O SER A 53 -1.813 -10.323 10.094 1.00 0.00 O ATOM 801 CB SER A 53 -4.308 -11.519 11.740 1.00 0.00 C ATOM 802 OG SER A 53 -5.193 -11.835 10.679 1.00 0.00 O ATOM 0 H SER A 53 -5.654 -9.366 11.367 1.00 0.00 H new ATOM 0 HA SER A 53 -2.946 -9.942 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.511 -12.261 11.786 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.842 -11.566 12.689 1.00 0.00 H new ATOM 0 HG SER A 53 -5.564 -12.731 10.818 1.00 0.00 H new ATOM 808 N ASP A 54 -3.758 -9.689 9.166 1.00 0.00 N ATOM 809 CA ASP A 54 -3.212 -9.613 7.814 1.00 0.00 C ATOM 810 C ASP A 54 -2.044 -8.635 7.699 1.00 0.00 C ATOM 811 O ASP A 54 -1.236 -8.738 6.778 1.00 0.00 O ATOM 812 CB ASP A 54 -4.308 -9.235 6.822 1.00 0.00 C ATOM 813 CG ASP A 54 -4.757 -10.413 5.979 1.00 0.00 C ATOM 814 OD1 ASP A 54 -5.275 -11.392 6.557 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.592 -10.355 4.743 1.00 0.00 O ATOM 0 H ASP A 54 -4.748 -9.452 9.235 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.824 -10.603 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.163 -8.834 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.945 -8.442 6.169 1.00 0.00 H new ATOM 820 N VAL A 55 -1.953 -7.683 8.619 1.00 0.00 N ATOM 821 CA VAL A 55 -0.869 -6.705 8.576 1.00 0.00 C ATOM 822 C VAL A 55 0.358 -7.204 9.336 1.00 0.00 C ATOM 823 O VAL A 55 1.432 -6.616 9.247 1.00 0.00 O ATOM 824 CB VAL A 55 -1.305 -5.335 9.133 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.742 -5.031 8.739 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.135 -5.270 10.642 1.00 0.00 C ATOM 0 H VAL A 55 -2.605 -7.566 9.394 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.607 -6.578 7.526 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.658 -4.575 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.032 -4.060 9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.825 -5.013 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.400 -5.801 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.451 -4.291 11.002 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.744 -6.043 11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.087 -5.429 10.897 1.00 0.00 H new ATOM 836 N VAL A 56 0.185 -8.281 10.094 1.00 0.00 N ATOM 837 CA VAL A 56 1.280 -8.840 10.877 1.00 0.00 C ATOM 838 C VAL A 56 2.031 -9.933 10.115 1.00 0.00 C ATOM 839 O VAL A 56 3.234 -10.110 10.311 1.00 0.00 O ATOM 840 CB VAL A 56 0.774 -9.424 12.209 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.939 -9.715 13.143 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.219 -8.475 12.865 1.00 0.00 C ATOM 0 H VAL A 56 -0.699 -8.782 10.183 1.00 0.00 H new ATOM 0 HA VAL A 56 1.964 -8.015 11.075 1.00 0.00 H new ATOM 0 HB VAL A 56 0.262 -10.364 12.001 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.561 -10.127 14.079 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.610 -10.435 12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.482 -8.792 13.346 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.566 -8.904 13.805 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.266 -7.519 13.060 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.069 -8.322 12.200 1.00 0.00 H new ATOM 852 N GLU A 57 1.331 -10.668 9.253 1.00 0.00 N ATOM 853 CA GLU A 57 1.964 -11.736 8.487 1.00 0.00 C ATOM 854 C GLU A 57 2.466 -11.228 7.139 1.00 0.00 C ATOM 855 O GLU A 57 3.571 -11.562 6.709 1.00 0.00 O ATOM 856 CB GLU A 57 0.993 -12.900 8.283 1.00 0.00 C ATOM 857 CG GLU A 57 -0.251 -12.821 9.151 1.00 0.00 C ATOM 858 CD GLU A 57 -0.344 -13.962 10.145 1.00 0.00 C ATOM 859 OE1 GLU A 57 -0.820 -15.050 9.756 1.00 0.00 O ATOM 860 OE2 GLU A 57 0.061 -13.767 11.309 1.00 0.00 O ATOM 0 H GLU A 57 0.335 -10.545 9.069 1.00 0.00 H new ATOM 0 HA GLU A 57 2.823 -12.089 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.692 -12.931 7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.512 -13.835 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.253 -11.874 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.135 -12.827 8.513 1.00 0.00 H new ATOM 867 N ALA A 58 1.637 -10.433 6.473 1.00 0.00 N ATOM 868 CA ALA A 58 1.980 -9.888 5.161 1.00 0.00 C ATOM 869 C ALA A 58 3.143 -8.902 5.238 1.00 0.00 C ATOM 870 O ALA A 58 4.054 -8.941 4.410 1.00 0.00 O ATOM 871 CB ALA A 58 0.765 -9.219 4.540 1.00 0.00 C ATOM 0 H ALA A 58 0.720 -10.150 6.819 1.00 0.00 H new ATOM 0 HA ALA A 58 2.298 -10.720 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.031 -8.816 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.034 -9.951 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.426 -8.409 5.186 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.842 -9.420 -0.078 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.618 -8.024 -0.447 1.00 0.00 C ATOM 1088 C PHE A 74 0.374 -7.944 -1.603 1.00 0.00 C ATOM 1089 O PHE A 74 0.937 -8.959 -2.013 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.115 -7.211 0.753 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.375 -5.731 0.626 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.623 -5.259 0.238 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.632 -4.810 0.886 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.856 -3.902 0.111 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.400 -3.456 0.761 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.843 -3.001 0.372 1.00 0.00 C ATOM 0 HA PHE A 74 -1.568 -7.594 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.595 -7.580 1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.956 -7.375 0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.419 -5.959 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.608 -5.158 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.830 -3.547 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.192 -2.752 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.023 -1.941 0.272 1.00 0.00 H new ATOM 1106 N GLY A 75 0.570 -6.745 -2.143 1.00 0.00 N ATOM 1107 CA GLY A 75 1.481 -6.586 -3.263 1.00 0.00 C ATOM 1108 C GLY A 75 0.941 -7.251 -4.511 1.00 0.00 C ATOM 1109 O GLY A 75 1.676 -7.505 -5.467 1.00 0.00 O ATOM 0 H GLY A 75 0.118 -5.886 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.643 -5.525 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.450 -7.016 -3.010 1.00 0.00 H new ATOM 1113 N THR A 76 -0.357 -7.526 -4.490 1.00 0.00 N ATOM 1114 CA THR A 76 -1.046 -8.164 -5.607 1.00 0.00 C ATOM 1115 C THR A 76 -2.490 -7.681 -5.682 1.00 0.00 C ATOM 1116 O THR A 76 -2.992 -7.072 -4.736 1.00 0.00 O ATOM 1117 CB THR A 76 -1.031 -9.697 -5.481 1.00 0.00 C ATOM 1118 OG1 THR A 76 0.116 -10.119 -4.735 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.016 -10.350 -6.856 1.00 0.00 C ATOM 0 H THR A 76 -0.963 -7.313 -3.698 1.00 0.00 H new ATOM 0 HA THR A 76 -0.515 -7.887 -6.518 1.00 0.00 H new ATOM 0 HB THR A 76 -1.936 -10.005 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.116 -11.096 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.006 -11.434 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.906 -10.051 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.126 -10.033 -7.400 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.160 -7.947 -6.795 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.548 -7.532 -6.946 1.00 0.00 C ATOM 1129 C VAL A 77 -5.422 -8.282 -5.943 1.00 0.00 C ATOM 1130 O VAL A 77 -5.781 -9.440 -6.160 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.074 -7.784 -8.372 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.358 -7.004 -8.614 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.019 -7.422 -9.407 1.00 0.00 C ATOM 0 H VAL A 77 -2.771 -8.442 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.593 -6.459 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.296 -8.846 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.714 -7.195 -9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.116 -7.320 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.165 -5.938 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.411 -7.608 -10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.760 -6.368 -9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.129 -8.031 -9.248 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.737 -7.619 -4.834 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.543 -8.226 -3.779 1.00 0.00 C ATOM 1145 C VAL A 78 -7.722 -7.348 -3.381 1.00 0.00 C ATOM 1146 O VAL A 78 -7.871 -6.226 -3.862 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.698 -8.479 -2.517 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.768 -9.661 -2.713 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.910 -7.230 -2.152 1.00 0.00 C ATOM 0 H VAL A 78 -5.446 -6.660 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.914 -9.167 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.373 -8.718 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.183 -9.818 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.355 -10.555 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.097 -9.461 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.317 -7.422 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.248 -6.963 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.600 -6.408 -1.960 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.540 -7.867 -2.470 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.695 -7.140 -1.963 1.00 0.00 C ATOM 1161 C ASP A 79 -9.295 -6.354 -0.720 1.00 0.00 C ATOM 1162 O ASP A 79 -8.991 -6.937 0.319 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.832 -8.107 -1.632 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.767 -8.321 -2.807 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.635 -7.456 -3.042 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -11.630 -9.357 -3.491 1.00 0.00 O ATOM 0 H ASP A 79 -8.421 -8.796 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.045 -6.449 -2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.413 -9.065 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.399 -7.721 -0.785 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.283 -5.032 -0.835 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.898 -4.175 0.279 1.00 0.00 C ATOM 1173 C ILE A 80 -10.118 -3.581 0.978 1.00 0.00 C ATOM 1174 O ILE A 80 -11.240 -3.687 0.487 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.978 -3.030 -0.191 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.779 -1.949 -0.921 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.877 -3.574 -1.089 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.275 -0.546 -0.660 1.00 0.00 C ATOM 0 H ILE A 80 -9.535 -4.531 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.358 -4.804 0.986 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.521 -2.576 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.746 -2.145 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.824 -2.014 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.235 -2.755 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.284 -4.303 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.322 -4.054 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.888 0.169 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.333 -0.331 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.240 -0.464 -0.990 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.880 -2.949 2.123 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.946 -2.321 2.897 1.00 0.00 C ATOM 1192 C ILE A 81 -10.484 -0.969 3.431 1.00 0.00 C ATOM 1193 O ILE A 81 -9.416 -0.864 4.026 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.389 -3.206 4.078 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.199 -3.988 4.635 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.497 -4.153 3.644 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -9.914 -3.693 6.092 1.00 0.00 C ATOM 0 H ILE A 81 -8.953 -2.858 2.538 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.796 -2.186 2.229 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.776 -2.563 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.388 -5.055 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.313 -3.755 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.799 -4.771 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.352 -3.576 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.135 -4.792 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.058 -4.282 6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.693 -2.632 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.786 -3.952 6.693 1.00 0.00 H new ATOM 1209 N SER A 82 -11.292 0.062 3.216 1.00 0.00 N ATOM 1210 CA SER A 82 -10.948 1.403 3.677 1.00 0.00 C ATOM 1211 C SER A 82 -11.471 1.659 5.085 1.00 0.00 C ATOM 1212 O SER A 82 -12.230 0.860 5.632 1.00 0.00 O ATOM 1213 CB SER A 82 -11.502 2.456 2.715 1.00 0.00 C ATOM 1214 OG SER A 82 -12.695 3.032 3.216 1.00 0.00 O ATOM 0 H SER A 82 -12.185 -0.003 2.728 1.00 0.00 H new ATOM 0 HA SER A 82 -9.861 1.476 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.757 3.236 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.696 1.999 1.744 1.00 0.00 H new ATOM 0 HG SER A 82 -13.026 3.702 2.582 1.00 0.00 H new ATOM 1220 N ARG A 83 -11.048 2.778 5.666 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.460 3.153 7.019 1.00 0.00 C ATOM 1222 C ARG A 83 -12.977 3.076 7.197 1.00 0.00 C ATOM 1223 O ARG A 83 -13.467 2.912 8.314 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.976 4.568 7.349 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.825 5.667 6.726 1.00 0.00 C ATOM 1226 CD ARG A 83 -11.000 6.903 6.412 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.453 8.070 7.164 1.00 0.00 N ATOM 1228 CZ ARG A 83 -10.636 8.897 7.807 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -9.326 8.689 7.791 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.128 9.937 8.467 1.00 0.00 N ATOM 0 H ARG A 83 -10.418 3.445 5.220 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.004 2.439 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.969 4.697 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.947 4.679 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.287 5.296 5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.634 5.932 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.953 6.708 6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.057 7.115 5.344 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.454 8.261 7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.942 7.892 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.702 9.326 8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.134 10.102 8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.500 10.571 8.960 1.00 0.00 H new ATOM 1244 N SER A 84 -13.719 3.206 6.099 1.00 0.00 N ATOM 1245 CA SER A 84 -15.176 3.159 6.158 1.00 0.00 C ATOM 1246 C SER A 84 -15.702 1.767 5.826 1.00 0.00 C ATOM 1247 O SER A 84 -16.826 1.414 6.186 1.00 0.00 O ATOM 1248 CB SER A 84 -15.778 4.186 5.195 1.00 0.00 C ATOM 1249 OG SER A 84 -15.244 4.038 3.892 1.00 0.00 O ATOM 0 H SER A 84 -13.337 3.344 5.163 1.00 0.00 H new ATOM 0 HA SER A 84 -15.475 3.400 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.861 4.068 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.578 5.193 5.561 1.00 0.00 H new ATOM 0 HG SER A 84 -14.372 3.593 3.944 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.886 0.981 5.134 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.291 -0.361 4.763 1.00 0.00 C ATOM 1257 C GLY A 85 -15.704 -0.454 3.311 1.00 0.00 C ATOM 1258 O GLY A 85 -16.840 -0.133 2.960 1.00 0.00 O ATOM 0 H GLY A 85 -13.952 1.249 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.468 -1.051 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.121 -0.676 5.396 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.783 -0.896 2.468 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.053 -1.037 1.043 1.00 0.00 C ATOM 1264 C GLU A 86 -14.355 -2.272 0.487 1.00 0.00 C ATOM 1265 O GLU A 86 -13.229 -2.190 -0.003 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.590 0.211 0.284 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.913 1.520 0.989 1.00 0.00 C ATOM 1268 CD GLU A 86 -14.745 2.725 0.086 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -15.117 2.633 -1.104 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -14.244 3.762 0.567 1.00 0.00 O ATOM 0 H GLU A 86 -13.839 -1.164 2.746 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.129 -1.152 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.513 0.150 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.055 0.217 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.938 1.487 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.265 1.629 1.859 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.028 -3.414 0.576 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.470 -4.675 0.088 1.00 0.00 C ATOM 1279 C LYS A 87 -14.542 -4.757 -1.434 1.00 0.00 C ATOM 1280 O LYS A 87 -15.318 -5.535 -1.990 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.198 -5.874 0.710 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.324 -5.499 1.662 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.800 -5.207 3.059 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.419 -6.483 3.791 1.00 0.00 C ATOM 1285 NZ LYS A 87 -15.801 -6.435 5.228 1.00 0.00 N ATOM 0 H LYS A 87 -15.961 -3.495 0.981 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.423 -4.706 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.605 -6.492 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.473 -6.486 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.849 -4.624 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.049 -6.311 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.932 -4.552 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.560 -4.673 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.906 -7.334 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.344 -6.643 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.524 -7.324 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.317 -5.639 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.830 -6.309 5.310 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.724 -3.950 -2.103 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.692 -3.929 -3.562 1.00 0.00 C ATOM 1301 C ILE A 88 -12.345 -4.423 -4.088 1.00 0.00 C ATOM 1302 O ILE A 88 -11.315 -4.255 -3.434 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.956 -2.512 -4.108 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.911 -1.530 -3.575 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -15.360 -2.055 -3.737 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.334 -0.623 -4.639 1.00 0.00 C ATOM 0 H ILE A 88 -13.074 -3.302 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.482 -4.596 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.878 -2.538 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.364 -0.918 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.101 -2.092 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.532 -1.053 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.091 -2.742 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.464 -2.043 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.601 0.046 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.851 -1.226 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.134 -0.034 -5.088 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.332 -5.041 -5.284 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.105 -5.555 -5.894 1.00 0.00 C ATOM 1320 C PRO A 89 -10.166 -4.433 -6.314 1.00 0.00 C ATOM 1321 O PRO A 89 -10.579 -3.477 -6.973 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.589 -6.330 -7.124 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.070 -6.454 -6.972 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.505 -5.287 -6.135 1.00 0.00 C ATOM 0 HA PRO A 89 -10.538 -6.170 -5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.333 -5.803 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.118 -7.312 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.563 -6.441 -7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.334 -7.397 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.750 -4.419 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.391 -5.521 -5.545 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.899 -4.554 -5.933 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.897 -3.550 -6.272 1.00 0.00 C ATOM 1334 C VAL A 90 -6.564 -4.209 -6.602 1.00 0.00 C ATOM 1335 O VAL A 90 -6.226 -5.257 -6.056 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.689 -2.542 -5.122 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -6.783 -1.404 -5.564 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -9.023 -2.004 -4.627 1.00 0.00 C ATOM 0 H VAL A 90 -8.541 -5.339 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.268 -3.013 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.206 -3.064 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.649 -0.704 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.814 -1.805 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.236 -0.886 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.851 -1.296 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.539 -1.501 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.636 -2.829 -4.264 1.00 0.00 H new ATOM 1348 N SER A 91 -5.808 -3.578 -7.494 1.00 0.00 N ATOM 1349 CA SER A 91 -4.504 -4.091 -7.896 1.00 0.00 C ATOM 1350 C SER A 91 -3.402 -3.447 -7.069 1.00 0.00 C ATOM 1351 O SER A 91 -3.304 -2.222 -6.996 1.00 0.00 O ATOM 1352 CB SER A 91 -4.265 -3.828 -9.382 1.00 0.00 C ATOM 1353 OG SER A 91 -5.351 -4.295 -10.166 1.00 0.00 O ATOM 0 H SER A 91 -6.077 -2.708 -7.953 1.00 0.00 H new ATOM 0 HA SER A 91 -4.489 -5.167 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.126 -2.760 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.346 -4.321 -9.698 1.00 0.00 H new ATOM 0 HG SER A 91 -5.173 -4.113 -11.112 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.573 -4.275 -6.436 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.486 -3.770 -5.610 1.00 0.00 C ATOM 1361 C VAL A 92 -0.136 -4.315 -6.063 1.00 0.00 C ATOM 1362 O VAL A 92 -0.008 -5.492 -6.387 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.703 -4.140 -4.128 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.539 -3.657 -3.275 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.018 -3.568 -3.623 1.00 0.00 C ATOM 0 H VAL A 92 -2.635 -5.292 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.484 -2.686 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.750 -5.226 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.713 -3.929 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.384 -4.122 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.452 -2.574 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.154 -3.839 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.003 -2.482 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.841 -3.972 -4.213 1.00 0.00 H new ATOM 1375 N TRP A 93 0.869 -3.447 -6.069 1.00 0.00 N ATOM 1376 CA TRP A 93 2.217 -3.843 -6.463 1.00 0.00 C ATOM 1377 C TRP A 93 3.261 -3.128 -5.614 1.00 0.00 C ATOM 1378 O TRP A 93 3.436 -1.914 -5.717 1.00 0.00 O ATOM 1379 CB TRP A 93 2.483 -3.586 -7.954 1.00 0.00 C ATOM 1380 CG TRP A 93 1.507 -2.663 -8.623 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.183 -2.895 -8.870 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.791 -1.366 -9.162 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.374 -1.818 -9.513 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.592 -0.868 -9.706 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.942 -0.577 -9.232 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.515 0.383 -10.311 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.862 0.664 -9.835 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.658 1.134 -10.368 1.00 0.00 C ATOM 0 H TRP A 93 0.777 -2.466 -5.806 1.00 0.00 H new ATOM 0 HA TRP A 93 2.295 -4.917 -6.293 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.485 -3.171 -8.062 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.475 -4.541 -8.479 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.348 -3.795 -8.599 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.349 -1.739 -9.800 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.877 -0.930 -8.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.415 0.749 -10.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.746 1.282 -9.896 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.629 2.108 -10.834 1.00 0.00 H new ATOM 1399 N MET A 94 3.951 -3.894 -4.774 1.00 0.00 N ATOM 1400 CA MET A 94 4.980 -3.346 -3.900 1.00 0.00 C ATOM 1401 C MET A 94 6.366 -3.562 -4.496 1.00 0.00 C ATOM 1402 O MET A 94 6.661 -4.629 -5.033 1.00 0.00 O ATOM 1403 CB MET A 94 4.898 -3.998 -2.517 1.00 0.00 C ATOM 1404 CG MET A 94 5.139 -3.029 -1.370 1.00 0.00 C ATOM 1405 SD MET A 94 4.909 -3.794 0.248 1.00 0.00 S ATOM 1406 CE MET A 94 5.156 -2.389 1.332 1.00 0.00 C ATOM 0 H MET A 94 3.814 -4.900 -4.681 1.00 0.00 H new ATOM 0 HA MET A 94 4.810 -2.274 -3.800 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.914 -4.452 -2.397 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.630 -4.803 -2.461 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.153 -2.635 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.460 -2.182 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.128 -2.472 1.819 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.119 -1.469 0.749 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.371 -2.371 2.088 1.00 0.00 H new ATOM 1416 N LYS A 95 7.213 -2.543 -4.400 1.00 0.00 N ATOM 1417 CA LYS A 95 8.569 -2.622 -4.932 1.00 0.00 C ATOM 1418 C LYS A 95 9.532 -1.788 -4.094 1.00 0.00 C ATOM 1419 O LYS A 95 9.365 -0.574 -3.963 1.00 0.00 O ATOM 1420 CB LYS A 95 8.599 -2.152 -6.387 1.00 0.00 C ATOM 1421 CG LYS A 95 7.662 -0.988 -6.672 1.00 0.00 C ATOM 1422 CD LYS A 95 6.909 -1.189 -7.977 1.00 0.00 C ATOM 1423 CE LYS A 95 6.508 0.138 -8.600 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.345 0.471 -9.785 1.00 0.00 N ATOM 0 H LYS A 95 6.985 -1.652 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 95 8.888 -3.663 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.617 -1.859 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.334 -2.987 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.951 -0.882 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.234 -0.061 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.533 -1.746 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.018 -1.790 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.460 0.098 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.599 0.930 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.040 1.383 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.343 0.535 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.238 -0.272 -10.505 1.00 0.00 H new ATOM 1438 N ARG A 96 10.537 -2.446 -3.527 1.00 0.00 N ATOM 1439 CA ARG A 96 11.524 -1.765 -2.700 1.00 0.00 C ATOM 1440 C ARG A 96 12.460 -0.910 -3.551 1.00 0.00 C ATOM 1441 O ARG A 96 13.438 -1.403 -4.111 1.00 0.00 O ATOM 1442 CB ARG A 96 12.330 -2.780 -1.893 1.00 0.00 C ATOM 1443 CG ARG A 96 12.828 -3.957 -2.716 1.00 0.00 C ATOM 1444 CD ARG A 96 12.539 -5.281 -2.030 1.00 0.00 C ATOM 1445 NE ARG A 96 12.876 -6.423 -2.875 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.825 -7.687 -2.467 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.454 -7.973 -1.226 1.00 0.00 N ATOM 1448 NH2 ARG A 96 13.145 -8.667 -3.301 1.00 0.00 N ATOM 0 H ARG A 96 10.689 -3.450 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 96 10.991 -1.107 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.185 -2.276 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.713 -3.154 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.352 -3.943 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.901 -3.858 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.106 -5.339 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.483 -5.327 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 96 13.168 -6.240 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.207 -7.222 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.416 -8.944 -0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.430 -8.451 -4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.106 -9.637 -2.987 1.00 0.00 H new ATOM 1462 N MET A 97 12.149 0.378 -3.634 1.00 0.00 N ATOM 1463 CA MET A 97 12.956 1.318 -4.404 1.00 0.00 C ATOM 1464 C MET A 97 13.615 2.330 -3.474 1.00 0.00 C ATOM 1465 O MET A 97 13.471 2.242 -2.257 1.00 0.00 O ATOM 1466 CB MET A 97 12.092 2.039 -5.443 1.00 0.00 C ATOM 1467 CG MET A 97 11.236 3.152 -4.861 1.00 0.00 C ATOM 1468 SD MET A 97 10.562 4.245 -6.126 1.00 0.00 S ATOM 1469 CE MET A 97 9.302 3.194 -6.846 1.00 0.00 C ATOM 0 H MET A 97 11.340 0.797 -3.175 1.00 0.00 H new ATOM 0 HA MET A 97 13.734 0.761 -4.926 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.740 2.456 -6.214 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.443 1.311 -5.931 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.417 2.714 -4.291 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.834 3.737 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.615 3.801 -7.435 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.772 2.450 -7.489 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.751 2.690 -6.052 1.00 0.00 H new ATOM 1479 N ARG A 98 14.340 3.286 -4.045 1.00 0.00 N ATOM 1480 CA ARG A 98 15.016 4.300 -3.244 1.00 0.00 C ATOM 1481 C ARG A 98 14.608 5.705 -3.674 1.00 0.00 C ATOM 1482 O ARG A 98 14.533 6.005 -4.867 1.00 0.00 O ATOM 1483 CB ARG A 98 16.532 4.142 -3.364 1.00 0.00 C ATOM 1484 CG ARG A 98 17.032 2.763 -2.971 1.00 0.00 C ATOM 1485 CD ARG A 98 18.226 2.850 -2.036 1.00 0.00 C ATOM 1486 NE ARG A 98 19.451 2.363 -2.666 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.644 2.920 -2.485 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.773 3.985 -1.706 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.711 2.413 -3.088 1.00 0.00 N ATOM 0 H ARG A 98 14.474 3.380 -5.052 1.00 0.00 H new ATOM 0 HA ARG A 98 14.718 4.160 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.830 4.348 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.018 4.888 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.229 2.208 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.309 2.206 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.366 3.884 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.025 2.268 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 98 19.387 1.550 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.955 4.380 -1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.691 4.409 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.616 1.596 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.627 2.841 -2.949 1.00 0.00 H new ATOM 1503 N GLN A 99 14.354 6.563 -2.693 1.00 0.00 N ATOM 1504 CA GLN A 99 13.963 7.942 -2.960 1.00 0.00 C ATOM 1505 C GLN A 99 14.040 8.778 -1.685 1.00 0.00 C ATOM 1506 O GLN A 99 13.254 9.706 -1.487 1.00 0.00 O ATOM 1507 CB GLN A 99 12.551 7.998 -3.547 1.00 0.00 C ATOM 1508 CG GLN A 99 11.487 7.376 -2.658 1.00 0.00 C ATOM 1509 CD GLN A 99 10.111 7.408 -3.296 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.098 7.750 -2.509 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 9.960 7.129 -4.485 1.00 0.00 N flip ATOM 0 H GLN A 99 14.412 6.327 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 99 14.658 8.358 -3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.288 9.039 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.549 7.488 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.759 6.344 -2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.456 7.907 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.766 6.871 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.029 7.156 -4.901 1.00 0.00 H new ATOM 1520 N GLU A 100 14.996 8.437 -0.828 1.00 0.00 N ATOM 1521 CA GLU A 100 15.193 9.144 0.430 1.00 0.00 C ATOM 1522 C GLU A 100 16.617 8.952 0.934 1.00 0.00 C ATOM 1523 O GLU A 100 17.443 9.863 0.865 1.00 0.00 O ATOM 1524 CB GLU A 100 14.195 8.650 1.478 1.00 0.00 C ATOM 1525 CG GLU A 100 13.109 9.661 1.809 1.00 0.00 C ATOM 1526 CD GLU A 100 13.340 10.351 3.138 1.00 0.00 C ATOM 1527 OE1 GLU A 100 14.480 10.796 3.386 1.00 0.00 O ATOM 1528 OE2 GLU A 100 12.382 10.446 3.933 1.00 0.00 O ATOM 0 H GLU A 100 15.650 7.670 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 100 15.025 10.207 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.728 7.733 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.735 8.397 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.062 10.410 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.143 9.157 1.829 1.00 0.00 H new ATOM 1535 N ARG A 101 16.892 7.756 1.438 1.00 0.00 N ATOM 1536 CA ARG A 101 18.210 7.411 1.959 1.00 0.00 C ATOM 1537 C ARG A 101 18.223 5.959 2.415 1.00 0.00 C ATOM 1538 O ARG A 101 19.274 5.395 2.714 1.00 0.00 O ATOM 1539 CB ARG A 101 18.585 8.326 3.125 1.00 0.00 C ATOM 1540 CG ARG A 101 17.518 8.402 4.206 1.00 0.00 C ATOM 1541 CD ARG A 101 18.035 9.095 5.456 1.00 0.00 C ATOM 1542 NE ARG A 101 17.894 10.546 5.376 1.00 0.00 N ATOM 1543 CZ ARG A 101 18.040 11.361 6.417 1.00 0.00 C ATOM 1544 NH1 ARG A 101 18.322 10.870 7.616 1.00 0.00 N ATOM 1545 NH2 ARG A 101 17.900 12.670 6.259 1.00 0.00 N ATOM 0 H ARG A 101 16.211 6.999 1.498 1.00 0.00 H new ATOM 0 HA ARG A 101 18.943 7.545 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.516 7.972 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 101 18.775 9.329 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.650 8.940 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.184 7.396 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.492 8.726 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.085 8.841 5.604 1.00 0.00 H new ATOM 0 HE ARG A 101 17.671 10.958 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.428 9.863 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.433 11.499 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 101 17.680 13.052 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.012 13.295 7.057 1.00 0.00 H new ATOM 1559 N ARG A 102 17.034 5.367 2.467 1.00 0.00 N ATOM 1560 CA ARG A 102 16.881 3.979 2.886 1.00 0.00 C ATOM 1561 C ARG A 102 15.893 3.250 1.976 1.00 0.00 C ATOM 1562 O ARG A 102 14.979 3.865 1.426 1.00 0.00 O ATOM 1563 CB ARG A 102 16.410 3.927 4.348 1.00 0.00 C ATOM 1564 CG ARG A 102 15.604 2.686 4.705 1.00 0.00 C ATOM 1565 CD ARG A 102 14.136 3.022 4.922 1.00 0.00 C ATOM 1566 NE ARG A 102 13.824 3.228 6.334 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.919 4.404 6.947 1.00 0.00 C ATOM 1568 NH1 ARG A 102 14.313 5.479 6.275 1.00 0.00 N ATOM 1569 NH2 ARG A 102 13.617 4.508 8.233 1.00 0.00 N ATOM 0 H ARG A 102 16.159 5.830 2.223 1.00 0.00 H new ATOM 0 HA ARG A 102 17.845 3.477 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.282 3.979 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.805 4.810 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.696 1.948 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.012 2.232 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.883 3.921 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.518 2.215 4.528 1.00 0.00 H new ATOM 0 HE ARG A 102 13.516 2.424 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.544 5.405 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.384 6.379 6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.311 3.686 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.690 5.410 8.703 1.00 0.00 H new ATOM 1583 N LEU A 103 16.081 1.939 1.825 1.00 0.00 N ATOM 1584 CA LEU A 103 15.201 1.132 0.984 1.00 0.00 C ATOM 1585 C LEU A 103 13.744 1.389 1.339 1.00 0.00 C ATOM 1586 O LEU A 103 13.264 0.958 2.388 1.00 0.00 O ATOM 1587 CB LEU A 103 15.520 -0.356 1.143 1.00 0.00 C ATOM 1588 CG LEU A 103 15.949 -1.074 -0.141 1.00 0.00 C ATOM 1589 CD1 LEU A 103 15.009 -0.735 -1.287 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.384 -0.709 -0.498 1.00 0.00 C ATOM 0 H LEU A 103 16.833 1.416 2.273 1.00 0.00 H new ATOM 0 HA LEU A 103 15.368 1.418 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.313 -0.464 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.640 -0.859 1.544 1.00 0.00 H new ATOM 0 HG LEU A 103 15.898 -2.149 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 103 15.332 -1.255 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 103 13.996 -1.047 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.024 0.340 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.674 -1.227 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.458 0.368 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 103 18.048 -1.006 0.314 1.00 0.00 H new ATOM 1602 N CYS A 104 13.045 2.109 0.467 1.00 0.00 N ATOM 1603 CA CYS A 104 11.647 2.440 0.703 1.00 0.00 C ATOM 1604 C CYS A 104 10.712 1.656 -0.213 1.00 0.00 C ATOM 1605 O CYS A 104 10.801 1.741 -1.438 1.00 0.00 O ATOM 1606 CB CYS A 104 11.425 3.940 0.509 1.00 0.00 C ATOM 1607 SG CYS A 104 12.540 4.701 -0.693 1.00 0.00 S ATOM 0 H CYS A 104 13.424 2.473 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 104 11.413 2.163 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 104 10.396 4.106 0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 104 11.546 4.442 1.469 1.00 0.00 H new ATOM 0 HG CYS A 104 12.894 3.816 -1.577 1.00 0.00 H new ATOM 1613 N CYS A 105 9.796 0.910 0.400 1.00 0.00 N ATOM 1614 CA CYS A 105 8.812 0.123 -0.333 1.00 0.00 C ATOM 1615 C CYS A 105 7.653 1.009 -0.783 1.00 0.00 C ATOM 1616 O CYS A 105 7.103 1.769 0.010 1.00 0.00 O ATOM 1617 CB CYS A 105 8.285 -1.009 0.549 1.00 0.00 C ATOM 1618 SG CYS A 105 8.277 -2.629 -0.249 1.00 0.00 S ATOM 0 H CYS A 105 9.716 0.835 1.414 1.00 0.00 H new ATOM 0 HA CYS A 105 9.293 -0.303 -1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.894 -1.064 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.270 -0.767 0.863 1.00 0.00 H new ATOM 0 HG CYS A 105 7.626 -3.475 0.493 1.00 0.00 H new ATOM 1624 N VAL A 106 7.283 0.907 -2.055 1.00 0.00 N ATOM 1625 CA VAL A 106 6.185 1.706 -2.594 1.00 0.00 C ATOM 1626 C VAL A 106 4.999 0.825 -2.978 1.00 0.00 C ATOM 1627 O VAL A 106 5.172 -0.253 -3.548 1.00 0.00 O ATOM 1628 CB VAL A 106 6.638 2.518 -3.826 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.454 3.229 -4.471 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.718 3.514 -3.436 1.00 0.00 C ATOM 0 H VAL A 106 7.724 0.283 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 106 5.876 2.396 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 106 7.055 1.827 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.797 3.795 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.716 2.492 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.001 3.909 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.027 4.079 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.327 4.199 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.576 2.979 -3.028 1.00 0.00 H new ATOM 1640 N VAL A 107 3.794 1.294 -2.664 1.00 0.00 N ATOM 1641 CA VAL A 107 2.576 0.556 -2.974 1.00 0.00 C ATOM 1642 C VAL A 107 1.635 1.410 -3.823 1.00 0.00 C ATOM 1643 O VAL A 107 1.435 2.592 -3.542 1.00 0.00 O ATOM 1644 CB VAL A 107 1.855 0.099 -1.682 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.350 0.321 -1.764 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.162 -1.360 -1.391 1.00 0.00 C ATOM 0 H VAL A 107 3.636 2.185 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 107 2.859 -0.331 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 107 2.232 0.711 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.118 -0.013 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.146 1.382 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.056 -0.247 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.648 -1.665 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.822 -1.976 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.237 -1.487 -1.261 1.00 0.00 H new ATOM 1656 N VAL A 108 1.063 0.807 -4.858 1.00 0.00 N ATOM 1657 CA VAL A 108 0.145 1.518 -5.740 1.00 0.00 C ATOM 1658 C VAL A 108 -1.153 0.745 -5.925 1.00 0.00 C ATOM 1659 O VAL A 108 -1.155 -0.372 -6.443 1.00 0.00 O ATOM 1660 CB VAL A 108 0.774 1.779 -7.122 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.051 2.912 -7.831 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.258 2.086 -6.991 1.00 0.00 C ATOM 0 H VAL A 108 1.218 -0.170 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.069 2.474 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 108 0.668 0.875 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.509 3.082 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.998 2.647 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.123 3.820 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.681 2.267 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.393 2.972 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.765 1.239 -6.529 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.259 1.347 -5.494 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.566 0.716 -5.606 1.00 0.00 C ATOM 1674 C LEU A 109 -4.322 1.231 -6.825 1.00 0.00 C ATOM 1675 O LEU A 109 -4.506 2.436 -6.991 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.374 0.983 -4.341 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.535 1.109 -3.070 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.247 1.973 -2.045 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.231 -0.269 -2.504 1.00 0.00 C ATOM 0 H LEU A 109 -2.273 2.272 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.421 -0.357 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.946 1.901 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.094 0.176 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.591 1.593 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.635 2.051 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.412 2.968 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.206 1.521 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.633 -0.167 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.165 -0.779 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.677 -0.851 -3.241 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.761 0.309 -7.673 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.502 0.668 -8.873 1.00 0.00 C ATOM 1693 C GLU A 110 -6.831 -0.079 -8.931 1.00 0.00 C ATOM 1694 O GLU A 110 -6.856 -1.308 -9.014 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.674 0.360 -10.124 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.885 1.358 -11.251 1.00 0.00 C ATOM 1697 CD GLU A 110 -5.692 0.779 -12.398 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -5.787 -0.463 -12.495 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -6.230 1.570 -13.202 1.00 0.00 O ATOM 0 H GLU A 110 -4.616 -0.693 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.706 1.738 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.618 0.344 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.927 -0.638 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.395 2.239 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.916 1.690 -11.624 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.959 0.652 -8.892 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.291 0.043 -8.941 1.00 0.00 C ATOM 1708 C PRO A 111 -9.500 -0.764 -10.217 1.00 0.00 C ATOM 1709 O PRO A 111 -9.173 -0.307 -11.311 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.249 1.239 -8.897 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.422 2.424 -9.264 1.00 0.00 C ATOM 1712 CD PRO A 111 -8.027 2.119 -8.799 1.00 0.00 C ATOM 0 HA PRO A 111 -9.446 -0.660 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.076 1.106 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.685 1.357 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.445 2.597 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.803 3.327 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.278 2.598 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.856 2.467 -7.780 1.00 0.00 H new ATOM 1720 N VAL A 112 -10.043 -1.968 -10.066 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.294 -2.841 -11.206 1.00 0.00 C ATOM 1722 C VAL A 112 -11.393 -2.276 -12.101 1.00 0.00 C ATOM 1723 O VAL A 112 -12.174 -1.422 -11.679 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.694 -4.258 -10.748 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.595 -4.874 -9.899 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -12.010 -4.220 -9.982 1.00 0.00 C ATOM 0 H VAL A 112 -10.317 -2.361 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.365 -2.899 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.831 -4.881 -11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.895 -5.874 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.677 -4.937 -10.483 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.424 -4.253 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.277 -5.229 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.902 -3.582 -9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.794 -3.822 -10.626 1.00 0.00 H new