USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 483 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 Single : A 9 THR OG1 : rot 32:sc= 0.786 USER MOD Single : A 10 HIS : no HD1:sc= -0.089 X(o=-0.089,f=-2.9e-05) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00588 USER MOD Single : A 15 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.38) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 32 THR OG1 : rot 95:sc= -2.98! USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= 0.536 (180deg=-1.58!) USER MOD Single : A 35 LYS NZ :NH3+ -116:sc= 0.322 (180deg=-1.36!) USER MOD Single : A 36 GLN : amide:sc= -0.755 K(o=-0.76,f=-5!) USER MOD Single : A 39 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.014) USER MOD Single : A 40 GLN : amide:sc= -2.84! K(o=-2.8!,f=-0.98) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.738 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 171:sc= -4.41! (180deg=-5.37!) USER MOD Single : A 87 MET CE :methyl -159:sc= -0.325 (180deg=-0.91) USER MOD Single : A 88 GLN : amide:sc= 0.246 K(o=0.25,f=-4.4!) USER MOD Single : A 91 SER OG : rot 63:sc= 1.26 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 35:sc= 0.0412 USER MOD Single : A 108 GLN : amide:sc= -0.543! X(o=-0.54!,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.974 -12.430 103.917 1.00 0.00 N ATOM 134 CA THR A 9 -233.221 -12.213 103.203 1.00 0.00 C ATOM 135 C THR A 9 -233.840 -13.540 102.776 1.00 0.00 C ATOM 136 O THR A 9 -233.402 -14.164 101.809 1.00 0.00 O ATOM 137 CB THR A 9 -233.022 -11.314 101.962 1.00 0.00 C ATOM 138 OG1 THR A 9 -232.095 -11.922 101.051 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.514 -9.935 102.360 1.00 0.00 C ATOM 0 HA THR A 9 -233.896 -11.704 103.891 1.00 0.00 H new ATOM 0 HB THR A 9 -233.990 -11.201 101.473 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.174 -12.897 101.107 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.383 -9.324 101.467 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.236 -9.459 103.023 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.559 -10.034 102.875 1.00 0.00 H new ATOM 147 N HIS A 10 -234.842 -13.979 103.515 1.00 0.00 N ATOM 148 CA HIS A 10 -235.523 -15.231 103.213 1.00 0.00 C ATOM 149 C HIS A 10 -236.980 -14.959 102.900 1.00 0.00 C ATOM 150 O HIS A 10 -237.619 -14.157 103.560 1.00 0.00 O ATOM 151 CB HIS A 10 -235.419 -16.213 104.384 1.00 0.00 C ATOM 152 CG HIS A 10 -234.011 -16.566 104.754 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.451 -17.800 104.517 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.040 -15.823 105.332 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.198 -17.797 104.932 1.00 0.00 C ATOM 156 NE2 HIS A 10 -231.919 -16.606 105.430 1.00 0.00 N ATOM 0 H HIS A 10 -235.205 -13.488 104.332 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.040 -15.682 102.346 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.916 -15.782 105.253 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -235.958 -17.126 104.129 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.131 -14.797 105.658 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.514 -18.631 104.874 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.022 -16.318 105.821 1.00 0.00 H new ATOM 165 N ARG A 11 -237.494 -15.603 101.879 1.00 0.00 N ATOM 166 CA ARG A 11 -238.859 -15.419 101.487 1.00 0.00 C ATOM 167 C ARG A 11 -239.765 -16.415 102.197 1.00 0.00 C ATOM 168 O ARG A 11 -239.369 -17.550 102.457 1.00 0.00 O ATOM 169 CB ARG A 11 -238.965 -15.561 99.987 1.00 0.00 C ATOM 170 CG ARG A 11 -239.814 -14.473 99.405 1.00 0.00 C ATOM 171 CD ARG A 11 -239.427 -14.162 97.977 1.00 0.00 C ATOM 172 NE ARG A 11 -240.367 -13.236 97.341 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.035 -12.346 96.408 1.00 0.00 C ATOM 174 NH1 ARG A 11 -238.773 -12.232 96.006 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.973 -11.561 95.884 1.00 0.00 N ATOM 0 H ARG A 11 -236.975 -16.265 101.303 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.187 -14.420 101.775 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.970 -15.528 99.543 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.392 -16.533 99.739 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.862 -14.771 99.441 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.718 -13.573 100.012 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -238.426 -13.731 97.959 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -239.386 -15.088 97.403 1.00 0.00 H new ATOM 0 HE ARG A 11 -241.343 -13.276 97.633 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -238.052 -12.828 96.413 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -238.525 -11.548 95.291 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -241.940 -11.643 96.197 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.725 -10.877 95.169 1.00 0.00 H new ATOM 189 N VAL A 12 -240.975 -15.984 102.505 1.00 0.00 N ATOM 190 CA VAL A 12 -241.932 -16.812 103.216 1.00 0.00 C ATOM 191 C VAL A 12 -243.254 -16.820 102.452 1.00 0.00 C ATOM 192 O VAL A 12 -243.843 -15.767 102.192 1.00 0.00 O ATOM 193 CB VAL A 12 -242.124 -16.314 104.670 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.317 -14.807 104.704 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.288 -17.024 105.342 1.00 0.00 C ATOM 0 H VAL A 12 -241.321 -15.054 102.270 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.552 -17.832 103.275 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.219 -16.553 105.228 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.450 -14.480 105.735 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.440 -14.318 104.279 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.199 -14.540 104.122 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.400 -16.655 106.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.204 -16.830 104.783 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.096 -18.097 105.364 1.00 0.00 H new ATOM 205 N THR A 13 -243.681 -18.005 102.035 1.00 0.00 N ATOM 206 CA THR A 13 -244.833 -18.132 101.157 1.00 0.00 C ATOM 207 C THR A 13 -246.131 -17.910 101.937 1.00 0.00 C ATOM 208 O THR A 13 -246.432 -18.644 102.881 1.00 0.00 O ATOM 209 CB THR A 13 -244.890 -19.531 100.521 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.624 -19.858 99.936 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.981 -19.594 99.460 1.00 0.00 C ATOM 0 H THR A 13 -243.246 -18.891 102.292 1.00 0.00 H new ATOM 0 HA THR A 13 -244.730 -17.377 100.377 1.00 0.00 H new ATOM 0 HB THR A 13 -245.121 -20.255 101.303 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.670 -20.751 99.535 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.005 -20.592 99.022 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.946 -19.375 99.917 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.774 -18.861 98.681 1.00 0.00 H new ATOM 219 N VAL A 14 -246.900 -16.916 101.539 1.00 0.00 N ATOM 220 CA VAL A 14 -248.152 -16.602 102.203 1.00 0.00 C ATOM 221 C VAL A 14 -249.331 -17.108 101.369 1.00 0.00 C ATOM 222 O VAL A 14 -249.375 -16.907 100.156 1.00 0.00 O ATOM 223 CB VAL A 14 -248.260 -15.078 102.434 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.570 -14.693 103.101 1.00 0.00 C ATOM 225 CG2 VAL A 14 -247.082 -14.594 103.262 1.00 0.00 C ATOM 0 H VAL A 14 -246.678 -16.306 100.752 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.177 -17.101 103.172 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.240 -14.593 101.458 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.602 -13.613 103.244 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.404 -15.001 102.470 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.645 -15.189 104.069 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.166 -13.519 103.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.081 -15.104 104.226 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.153 -14.812 102.735 1.00 0.00 H new ATOM 235 N HIS A 15 -250.266 -17.800 102.011 1.00 0.00 N ATOM 236 CA HIS A 15 -251.411 -18.379 101.307 1.00 0.00 C ATOM 237 C HIS A 15 -252.709 -17.645 101.616 1.00 0.00 C ATOM 238 O HIS A 15 -253.781 -18.090 101.216 1.00 0.00 O ATOM 239 CB HIS A 15 -251.566 -19.856 101.663 1.00 0.00 C ATOM 240 CG HIS A 15 -250.850 -20.781 100.730 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.488 -21.473 99.722 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.544 -21.137 100.660 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.609 -22.214 99.074 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.421 -22.029 99.622 1.00 0.00 N ATOM 0 H HIS A 15 -250.256 -17.975 103.016 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.212 -18.275 100.240 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.195 -20.017 102.675 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.626 -20.109 101.668 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -248.749 -20.785 101.300 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -250.824 -22.862 98.237 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.554 -22.476 99.323 1.00 0.00 H new ATOM 253 N GLY A 16 -252.616 -16.541 102.339 1.00 0.00 N ATOM 254 CA GLY A 16 -253.805 -15.740 102.608 1.00 0.00 C ATOM 255 C GLY A 16 -253.612 -14.288 102.226 1.00 0.00 C ATOM 256 O GLY A 16 -254.199 -13.394 102.824 1.00 0.00 O ATOM 0 H GLY A 16 -251.751 -16.182 102.744 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.650 -16.150 102.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -254.054 -15.806 103.667 1.00 0.00 H new ATOM 260 N VAL A 17 -252.789 -14.066 101.219 1.00 0.00 N ATOM 261 CA VAL A 17 -252.359 -12.730 100.842 1.00 0.00 C ATOM 262 C VAL A 17 -253.523 -11.848 100.374 1.00 0.00 C ATOM 263 O VAL A 17 -254.578 -12.345 99.987 1.00 0.00 O ATOM 264 CB VAL A 17 -251.291 -12.798 99.729 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.256 -13.856 100.037 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.918 -13.049 98.365 1.00 0.00 C ATOM 0 H VAL A 17 -252.398 -14.807 100.637 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.935 -12.276 101.738 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.796 -11.828 99.695 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.515 -13.884 99.238 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.764 -13.620 100.980 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.742 -14.829 100.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.136 -13.091 97.607 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.458 -13.996 98.381 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.610 -12.241 98.128 1.00 0.00 H new ATOM 326 N PRO A 22 -253.030 -16.454 94.650 1.00 0.00 N ATOM 327 CA PRO A 22 -253.611 -17.383 95.616 1.00 0.00 C ATOM 328 C PRO A 22 -252.609 -17.688 96.700 1.00 0.00 C ATOM 329 O PRO A 22 -252.932 -17.926 97.864 1.00 0.00 O ATOM 330 CB PRO A 22 -253.882 -18.640 94.789 1.00 0.00 C ATOM 331 CG PRO A 22 -253.416 -18.327 93.400 1.00 0.00 C ATOM 332 CD PRO A 22 -252.510 -17.156 93.477 1.00 0.00 C ATOM 0 HA PRO A 22 -254.504 -16.991 96.103 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.347 -19.498 95.196 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.942 -18.892 94.798 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.897 -19.183 92.970 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -254.265 -18.110 92.752 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.469 -17.452 93.606 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.558 -16.542 92.578 1.00 0.00 H new ATOM 340 N PHE A 23 -251.383 -17.709 96.254 1.00 0.00 N ATOM 341 CA PHE A 23 -250.232 -17.846 97.117 1.00 0.00 C ATOM 342 C PHE A 23 -249.079 -17.044 96.542 1.00 0.00 C ATOM 343 O PHE A 23 -248.755 -17.166 95.362 1.00 0.00 O ATOM 344 CB PHE A 23 -249.836 -19.322 97.288 1.00 0.00 C ATOM 345 CG PHE A 23 -249.475 -20.037 96.011 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.462 -20.517 95.164 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.146 -20.237 95.664 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.132 -21.179 93.997 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.811 -20.898 94.497 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.805 -21.369 93.662 1.00 0.00 C ATOM 0 H PHE A 23 -251.147 -17.630 95.265 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.484 -17.461 98.105 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.988 -19.378 97.970 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.662 -19.852 97.762 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.501 -20.372 95.419 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.364 -19.872 96.314 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.911 -21.548 93.347 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.773 -21.046 94.239 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.546 -21.885 92.749 1.00 0.00 H new ATOM 360 N THR A 24 -248.481 -16.212 97.370 1.00 0.00 N ATOM 361 CA THR A 24 -247.340 -15.430 96.955 1.00 0.00 C ATOM 362 C THR A 24 -246.393 -15.277 98.134 1.00 0.00 C ATOM 363 O THR A 24 -246.807 -15.328 99.292 1.00 0.00 O ATOM 364 CB THR A 24 -247.753 -14.052 96.381 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.636 -13.418 95.747 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.300 -13.137 97.458 1.00 0.00 C ATOM 0 H THR A 24 -248.769 -16.061 98.337 1.00 0.00 H new ATOM 0 HA THR A 24 -246.833 -15.955 96.145 1.00 0.00 H new ATOM 0 HB THR A 24 -248.540 -14.232 95.648 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.913 -12.549 95.388 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.578 -12.180 97.016 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.178 -13.595 97.914 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.538 -12.976 98.220 1.00 0.00 H new ATOM 374 N VAL A 25 -245.128 -15.119 97.835 1.00 0.00 N ATOM 375 CA VAL A 25 -244.078 -15.210 98.834 1.00 0.00 C ATOM 376 C VAL A 25 -243.356 -13.867 98.955 1.00 0.00 C ATOM 377 O VAL A 25 -242.944 -13.298 97.942 1.00 0.00 O ATOM 378 CB VAL A 25 -243.075 -16.298 98.402 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.170 -16.716 99.530 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.785 -17.496 97.794 1.00 0.00 C ATOM 0 H VAL A 25 -244.791 -14.923 96.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.512 -15.465 99.801 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.443 -15.857 97.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.481 -17.484 99.178 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.604 -15.853 99.881 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.769 -17.114 100.349 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.049 -18.244 97.500 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.467 -17.926 98.528 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.349 -17.178 96.917 1.00 0.00 H new ATOM 390 N PHE A 26 -243.198 -13.353 100.173 1.00 0.00 N ATOM 391 CA PHE A 26 -242.518 -12.067 100.361 1.00 0.00 C ATOM 392 C PHE A 26 -241.194 -12.253 101.074 1.00 0.00 C ATOM 393 O PHE A 26 -241.066 -13.100 101.958 1.00 0.00 O ATOM 394 CB PHE A 26 -243.382 -11.062 101.124 1.00 0.00 C ATOM 395 CG PHE A 26 -244.784 -10.946 100.590 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.793 -11.781 101.048 1.00 0.00 C ATOM 397 CD2 PHE A 26 -245.089 -9.999 99.626 1.00 0.00 C ATOM 398 CE1 PHE A 26 -247.077 -11.671 100.552 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.371 -9.886 99.128 1.00 0.00 C ATOM 400 CZ PHE A 26 -247.366 -10.723 99.591 1.00 0.00 C ATOM 0 H PHE A 26 -243.524 -13.795 101.032 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.335 -11.662 99.366 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.425 -11.355 102.173 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.905 -10.083 101.086 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.572 -12.524 101.800 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -244.314 -9.341 99.260 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.855 -12.326 100.916 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -246.596 -9.143 98.377 1.00 0.00 H new ATOM 0 HZ PHE A 26 -248.370 -10.636 99.202 1.00 0.00 H new ATOM 410 N THR A 27 -240.206 -11.475 100.657 1.00 0.00 N ATOM 411 CA THR A 27 -238.856 -11.609 101.169 1.00 0.00 C ATOM 412 C THR A 27 -238.683 -10.830 102.458 1.00 0.00 C ATOM 413 O THR A 27 -239.247 -9.751 102.622 1.00 0.00 O ATOM 414 CB THR A 27 -237.825 -11.106 100.145 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.437 -10.988 98.852 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.645 -12.062 100.062 1.00 0.00 C ATOM 0 H THR A 27 -240.319 -10.739 99.960 1.00 0.00 H new ATOM 0 HA THR A 27 -238.690 -12.669 101.361 1.00 0.00 H new ATOM 0 HB THR A 27 -237.466 -10.129 100.469 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.775 -10.666 98.205 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.926 -11.690 99.332 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.167 -12.135 101.039 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.996 -13.047 99.755 1.00 0.00 H new ATOM 424 N ILE A 28 -237.912 -11.387 103.368 1.00 0.00 N ATOM 425 CA ILE A 28 -237.616 -10.730 104.622 1.00 0.00 C ATOM 426 C ILE A 28 -236.164 -10.274 104.624 1.00 0.00 C ATOM 427 O ILE A 28 -235.485 -10.386 103.606 1.00 0.00 O ATOM 428 CB ILE A 28 -237.882 -11.669 105.806 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.747 -12.679 105.976 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.202 -12.398 105.581 1.00 0.00 C ATOM 431 CD1 ILE A 28 -236.851 -13.479 107.244 1.00 0.00 C ATOM 0 H ILE A 28 -237.475 -12.302 103.260 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.268 -9.863 104.728 1.00 0.00 H new ATOM 0 HB ILE A 28 -237.938 -11.074 106.718 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.744 -13.359 105.124 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.794 -12.150 105.965 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.396 -13.067 106.420 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.010 -11.671 105.502 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.145 -12.978 104.660 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.016 -14.177 107.304 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -236.824 -12.807 108.102 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -237.789 -14.035 107.248 1.00 0.00 H new ATOM 443 N ASN A 29 -235.689 -9.763 105.750 1.00 0.00 N ATOM 444 CA ASN A 29 -234.304 -9.326 105.861 1.00 0.00 C ATOM 445 C ASN A 29 -233.871 -9.283 107.322 1.00 0.00 C ATOM 446 O ASN A 29 -234.653 -8.919 108.201 1.00 0.00 O ATOM 447 CB ASN A 29 -234.097 -7.955 105.206 1.00 0.00 C ATOM 448 CG ASN A 29 -234.883 -6.850 105.879 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.392 -6.187 106.791 1.00 0.00 O ATOM 450 ND2 ASN A 29 -236.107 -6.639 105.429 1.00 0.00 N ATOM 0 H ASN A 29 -236.241 -9.641 106.599 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.685 -10.050 105.331 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -233.036 -7.704 105.229 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.388 -8.013 104.157 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.682 -5.904 105.840 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.477 -7.211 104.670 1.00 0.00 H new ATOM 457 N GLY A 30 -232.635 -9.693 107.573 1.00 0.00 N ATOM 458 CA GLY A 30 -232.074 -9.629 108.910 1.00 0.00 C ATOM 459 C GLY A 30 -232.755 -10.576 109.881 1.00 0.00 C ATOM 460 O GLY A 30 -232.595 -11.792 109.788 1.00 0.00 O ATOM 0 H GLY A 30 -232.004 -10.073 106.867 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.011 -9.866 108.864 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.158 -8.609 109.286 1.00 0.00 H new ATOM 464 N GLY A 31 -233.517 -10.011 110.808 1.00 0.00 N ATOM 465 CA GLY A 31 -234.212 -10.808 111.800 1.00 0.00 C ATOM 466 C GLY A 31 -235.633 -10.329 111.997 1.00 0.00 C ATOM 467 O GLY A 31 -236.015 -9.903 113.094 1.00 0.00 O ATOM 0 H GLY A 31 -233.667 -9.005 110.891 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.219 -11.853 111.490 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -233.676 -10.760 112.748 1.00 0.00 H new ATOM 471 N THR A 32 -236.408 -10.382 110.926 1.00 0.00 N ATOM 472 CA THR A 32 -237.777 -9.903 110.935 1.00 0.00 C ATOM 473 C THR A 32 -238.683 -10.719 111.838 1.00 0.00 C ATOM 474 O THR A 32 -238.739 -11.945 111.732 1.00 0.00 O ATOM 475 CB THR A 32 -238.369 -9.930 109.539 1.00 0.00 C ATOM 476 OG1 THR A 32 -237.958 -11.130 108.882 1.00 0.00 O ATOM 477 CG2 THR A 32 -237.935 -8.714 108.735 1.00 0.00 C ATOM 0 H THR A 32 -236.105 -10.758 110.028 1.00 0.00 H new ATOM 0 HA THR A 32 -237.727 -8.883 111.317 1.00 0.00 H new ATOM 0 HB THR A 32 -239.456 -9.904 109.616 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.649 -11.816 108.992 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.375 -8.761 107.739 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.271 -7.807 109.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 -236.848 -8.702 108.652 1.00 0.00 H new ATOM 485 N LYS A 33 -239.401 -10.030 112.713 1.00 0.00 N ATOM 486 CA LYS A 33 -240.463 -10.662 113.472 1.00 0.00 C ATOM 487 C LYS A 33 -241.631 -10.931 112.563 1.00 0.00 C ATOM 488 O LYS A 33 -241.639 -10.493 111.420 1.00 0.00 O ATOM 489 CB LYS A 33 -240.945 -9.777 114.616 1.00 0.00 C ATOM 490 CG LYS A 33 -239.979 -9.686 115.762 1.00 0.00 C ATOM 491 CD LYS A 33 -238.925 -8.621 115.528 1.00 0.00 C ATOM 492 CE LYS A 33 -237.616 -8.977 116.225 1.00 0.00 C ATOM 493 NZ LYS A 33 -237.030 -10.251 115.714 1.00 0.00 N ATOM 0 H LYS A 33 -239.267 -9.039 112.912 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.065 -11.587 113.889 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.134 -8.774 114.232 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -241.896 -10.162 114.985 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.524 -9.463 116.679 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -239.494 -10.652 115.906 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -238.751 -8.507 114.458 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -239.287 -7.661 115.896 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -236.900 -8.168 116.083 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -237.790 -9.064 117.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -236.761 -10.856 116.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -237.732 -10.746 115.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -236.188 -10.041 115.141 1.00 0.00 H new ATOM 507 N ALA A 34 -242.636 -11.601 113.085 1.00 0.00 N ATOM 508 CA ALA A 34 -243.860 -11.816 112.333 1.00 0.00 C ATOM 509 C ALA A 34 -244.571 -10.485 112.118 1.00 0.00 C ATOM 510 O ALA A 34 -245.407 -10.350 111.239 1.00 0.00 O ATOM 511 CB ALA A 34 -244.762 -12.804 113.051 1.00 0.00 C ATOM 0 H ALA A 34 -242.633 -12.005 114.021 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.611 -12.240 111.360 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -245.674 -12.952 112.472 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.244 -13.757 113.161 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.017 -12.414 114.036 1.00 0.00 H new ATOM 517 N LYS A 35 -244.226 -9.508 112.950 1.00 0.00 N ATOM 518 CA LYS A 35 -244.817 -8.170 112.873 1.00 0.00 C ATOM 519 C LYS A 35 -244.143 -7.364 111.772 1.00 0.00 C ATOM 520 O LYS A 35 -244.810 -6.828 110.882 1.00 0.00 O ATOM 521 CB LYS A 35 -244.715 -7.441 114.229 1.00 0.00 C ATOM 522 CG LYS A 35 -243.291 -7.251 114.749 1.00 0.00 C ATOM 523 CD LYS A 35 -243.255 -6.597 116.128 1.00 0.00 C ATOM 524 CE LYS A 35 -243.681 -7.562 117.225 1.00 0.00 C ATOM 525 NZ LYS A 35 -243.613 -6.950 118.581 1.00 0.00 N ATOM 0 H LYS A 35 -243.535 -9.616 113.692 1.00 0.00 H new ATOM 0 HA LYS A 35 -245.875 -8.273 112.632 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.186 -6.463 114.136 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.286 -8.000 114.970 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -242.793 -8.219 114.796 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -242.729 -6.638 114.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -242.247 -6.237 116.333 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -243.912 -5.727 116.135 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -244.700 -7.899 117.033 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -243.042 -8.445 117.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -242.902 -7.450 119.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -243.347 -5.948 118.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.542 -7.024 119.042 1.00 0.00 H new ATOM 539 N GLN A 36 -242.810 -7.313 111.812 1.00 0.00 N ATOM 540 CA GLN A 36 -242.050 -6.653 110.772 1.00 0.00 C ATOM 541 C GLN A 36 -242.279 -7.384 109.465 1.00 0.00 C ATOM 542 O GLN A 36 -242.103 -6.838 108.375 1.00 0.00 O ATOM 543 CB GLN A 36 -240.560 -6.652 111.115 1.00 0.00 C ATOM 544 CG GLN A 36 -240.234 -6.078 112.487 1.00 0.00 C ATOM 545 CD GLN A 36 -240.863 -4.722 112.724 1.00 0.00 C ATOM 546 OE1 GLN A 36 -241.972 -4.626 113.243 1.00 0.00 O ATOM 547 NE2 GLN A 36 -240.162 -3.668 112.350 1.00 0.00 N ATOM 0 H GLN A 36 -242.244 -7.723 112.555 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.379 -5.618 110.684 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.187 -7.675 111.064 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.025 -6.079 110.358 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -240.577 -6.771 113.256 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -239.152 -5.994 112.592 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -239.244 -3.791 111.922 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -240.538 -2.730 112.489 1.00 0.00 H new ATOM 556 N LEU A 37 -242.648 -8.643 109.590 1.00 0.00 N ATOM 557 CA LEU A 37 -242.898 -9.454 108.441 1.00 0.00 C ATOM 558 C LEU A 37 -244.286 -9.314 107.902 1.00 0.00 C ATOM 559 O LEU A 37 -244.467 -9.347 106.701 1.00 0.00 O ATOM 560 CB LEU A 37 -242.603 -10.900 108.719 1.00 0.00 C ATOM 561 CG LEU A 37 -241.731 -11.459 107.648 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.528 -11.561 106.369 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.574 -10.508 107.449 1.00 0.00 C ATOM 0 H LEU A 37 -242.779 -9.117 110.483 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.218 -9.086 107.673 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.112 -11.000 109.687 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.533 -11.465 108.773 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.365 -12.448 107.922 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.898 -11.969 105.579 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.384 -12.217 106.525 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.878 -10.570 106.078 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -239.917 -10.892 106.669 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -240.954 -9.530 107.154 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.015 -10.415 108.380 1.00 0.00 H new ATOM 575 N LEU A 38 -245.265 -9.189 108.762 1.00 0.00 N ATOM 576 CA LEU A 38 -246.607 -8.938 108.302 1.00 0.00 C ATOM 577 C LEU A 38 -246.547 -7.743 107.347 1.00 0.00 C ATOM 578 O LEU A 38 -247.157 -7.750 106.295 1.00 0.00 O ATOM 579 CB LEU A 38 -247.533 -8.703 109.508 1.00 0.00 C ATOM 580 CG LEU A 38 -249.036 -8.839 109.234 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.768 -7.551 109.568 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.287 -9.244 107.789 1.00 0.00 C ATOM 0 H LEU A 38 -245.160 -9.256 109.774 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.021 -9.791 107.764 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.261 -9.408 110.293 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.343 -7.703 109.898 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.426 -9.625 109.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.832 -7.674 109.365 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.625 -7.314 110.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.373 -6.739 108.957 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.360 -9.334 107.618 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.876 -8.486 107.122 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -248.806 -10.202 107.591 1.00 0.00 H new ATOM 594 N GLN A 39 -245.695 -6.791 107.690 1.00 0.00 N ATOM 595 CA GLN A 39 -245.314 -5.707 106.834 1.00 0.00 C ATOM 596 C GLN A 39 -244.792 -6.189 105.505 1.00 0.00 C ATOM 597 O GLN A 39 -245.259 -5.769 104.471 1.00 0.00 O ATOM 598 CB GLN A 39 -244.160 -5.038 107.512 1.00 0.00 C ATOM 599 CG GLN A 39 -243.747 -3.783 106.831 1.00 0.00 C ATOM 600 CD GLN A 39 -242.541 -3.120 107.472 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.407 -1.901 107.454 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.647 -3.923 108.033 1.00 0.00 N ATOM 0 H GLN A 39 -245.242 -6.761 108.603 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.180 -5.067 106.663 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.429 -4.815 108.544 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.314 -5.725 107.544 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.521 -4.002 105.787 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.583 -3.083 106.836 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.794 -4.932 108.028 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.813 -3.531 108.470 1.00 0.00 H new ATOM 611 N GLN A 40 -243.779 -7.030 105.550 1.00 0.00 N ATOM 612 CA GLN A 40 -243.196 -7.585 104.342 1.00 0.00 C ATOM 613 C GLN A 40 -244.241 -8.282 103.481 1.00 0.00 C ATOM 614 O GLN A 40 -244.125 -8.332 102.263 1.00 0.00 O ATOM 615 CB GLN A 40 -242.075 -8.548 104.706 1.00 0.00 C ATOM 616 CG GLN A 40 -240.740 -7.856 104.871 1.00 0.00 C ATOM 617 CD GLN A 40 -240.406 -7.024 103.655 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.668 -6.046 103.731 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.997 -7.396 102.531 1.00 0.00 N ATOM 0 H GLN A 40 -243.339 -7.346 106.414 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.788 -6.763 103.754 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.330 -9.062 105.633 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -241.991 -9.310 103.932 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.763 -7.220 105.756 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -239.959 -8.599 105.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.602 -8.217 102.520 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.848 -6.861 101.675 1.00 0.00 H new ATOM 628 N ILE A 41 -245.252 -8.799 104.139 1.00 0.00 N ATOM 629 CA ILE A 41 -246.368 -9.478 103.504 1.00 0.00 C ATOM 630 C ILE A 41 -247.337 -8.455 102.904 1.00 0.00 C ATOM 631 O ILE A 41 -248.043 -8.714 101.931 1.00 0.00 O ATOM 632 CB ILE A 41 -247.089 -10.344 104.562 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.093 -11.284 105.261 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.230 -11.137 103.963 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.095 -11.958 104.332 1.00 0.00 C ATOM 0 H ILE A 41 -245.327 -8.761 105.155 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.002 -10.114 102.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.514 -9.665 105.301 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.543 -10.716 106.011 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.653 -12.055 105.791 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -248.708 -11.731 104.742 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -248.959 -10.453 103.528 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -247.845 -11.799 103.187 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.434 -12.601 104.913 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.631 -12.558 103.596 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.504 -11.198 103.820 1.00 0.00 H new ATOM 647 N LEU A 42 -247.344 -7.293 103.522 1.00 0.00 N ATOM 648 CA LEU A 42 -248.269 -6.213 103.216 1.00 0.00 C ATOM 649 C LEU A 42 -247.737 -5.267 102.148 1.00 0.00 C ATOM 650 O LEU A 42 -248.486 -4.783 101.299 1.00 0.00 O ATOM 651 CB LEU A 42 -248.474 -5.435 104.494 1.00 0.00 C ATOM 652 CG LEU A 42 -249.253 -6.202 105.545 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.180 -5.494 106.857 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.691 -6.390 105.123 1.00 0.00 C ATOM 0 H LEU A 42 -246.691 -7.064 104.271 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.194 -6.642 102.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.502 -5.158 104.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -249.000 -4.508 104.266 1.00 0.00 H new ATOM 0 HG LEU A 42 -248.804 -7.189 105.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.743 -6.054 107.604 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -248.139 -5.415 107.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -249.605 -4.495 106.756 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.227 -6.943 105.894 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -251.159 -5.416 104.983 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.726 -6.947 104.187 1.00 0.00 H new ATOM 666 N THR A 43 -246.436 -5.017 102.245 1.00 0.00 N ATOM 667 CA THR A 43 -245.755 -3.917 101.602 1.00 0.00 C ATOM 668 C THR A 43 -246.217 -3.683 100.180 1.00 0.00 C ATOM 669 O THR A 43 -246.060 -4.506 99.282 1.00 0.00 O ATOM 670 CB THR A 43 -244.217 -4.099 101.640 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.573 -3.015 100.962 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.792 -5.418 101.011 1.00 0.00 C ATOM 0 H THR A 43 -245.809 -5.602 102.797 1.00 0.00 H new ATOM 0 HA THR A 43 -246.020 -3.030 102.178 1.00 0.00 H new ATOM 0 HB THR A 43 -243.914 -4.108 102.687 1.00 0.00 H new ATOM 0 HG1 THR A 43 -242.602 -3.140 100.994 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.707 -5.510 101.056 1.00 0.00 H new ATOM 0 HG22 THR A 43 -244.249 -6.245 101.555 1.00 0.00 H new ATOM 0 HG23 THR A 43 -244.115 -5.446 99.970 1.00 0.00 H new ATOM 823 N THR A 53 -253.988 -3.344 108.143 1.00 0.00 N ATOM 824 CA THR A 53 -255.170 -3.484 108.971 1.00 0.00 C ATOM 825 C THR A 53 -255.114 -4.763 109.818 1.00 0.00 C ATOM 826 O THR A 53 -254.034 -5.240 110.163 1.00 0.00 O ATOM 827 CB THR A 53 -256.440 -3.437 108.071 1.00 0.00 C ATOM 828 OG1 THR A 53 -257.645 -3.460 108.846 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.463 -4.590 107.076 1.00 0.00 C ATOM 0 HA THR A 53 -255.213 -2.652 109.674 1.00 0.00 H new ATOM 0 HB THR A 53 -256.392 -2.495 107.525 1.00 0.00 H new ATOM 0 HG1 THR A 53 -258.420 -3.428 108.247 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.363 -4.525 106.465 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.584 -4.534 106.434 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.459 -5.537 107.616 1.00 0.00 H new ATOM 837 N ASP A 54 -256.291 -5.289 110.126 1.00 0.00 N ATOM 838 CA ASP A 54 -256.510 -6.425 111.038 1.00 0.00 C ATOM 839 C ASP A 54 -255.834 -7.720 110.605 1.00 0.00 C ATOM 840 O ASP A 54 -256.068 -8.773 111.187 1.00 0.00 O ATOM 841 CB ASP A 54 -257.997 -6.682 111.097 1.00 0.00 C ATOM 842 CG ASP A 54 -258.742 -5.642 111.904 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.997 -4.546 111.365 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.071 -5.922 113.076 1.00 0.00 O ATOM 0 H ASP A 54 -257.162 -4.928 109.736 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.074 -6.148 111.998 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.397 -6.704 110.083 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.174 -7.666 111.531 1.00 0.00 H new ATOM 849 N TYR A 55 -255.033 -7.650 109.586 1.00 0.00 N ATOM 850 CA TYR A 55 -254.350 -8.829 109.068 1.00 0.00 C ATOM 851 C TYR A 55 -253.342 -9.395 110.067 1.00 0.00 C ATOM 852 O TYR A 55 -252.734 -8.661 110.843 1.00 0.00 O ATOM 853 CB TYR A 55 -253.609 -8.488 107.792 1.00 0.00 C ATOM 854 CG TYR A 55 -254.480 -8.092 106.635 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.648 -8.773 106.355 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.117 -7.036 105.813 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.439 -8.418 105.287 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.898 -6.669 104.741 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.063 -7.363 104.479 1.00 0.00 C ATOM 860 OH TYR A 55 -256.850 -7.003 103.412 1.00 0.00 O ATOM 0 H TYR A 55 -254.825 -6.787 109.083 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.119 -9.579 108.880 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.915 -7.673 108.000 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.010 -9.349 107.497 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.946 -9.598 106.985 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.206 -6.493 106.017 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.349 -8.962 105.081 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.602 -5.844 104.109 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.443 -6.242 102.948 1.00 0.00 H new ATOM 870 N PHE A 56 -253.178 -10.709 110.021 1.00 0.00 N ATOM 871 CA PHE A 56 -252.153 -11.410 110.788 1.00 0.00 C ATOM 872 C PHE A 56 -251.853 -12.727 110.095 1.00 0.00 C ATOM 873 O PHE A 56 -252.406 -13.004 109.044 1.00 0.00 O ATOM 874 CB PHE A 56 -252.583 -11.645 112.248 1.00 0.00 C ATOM 875 CG PHE A 56 -253.948 -12.253 112.396 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.065 -11.442 112.382 1.00 0.00 C ATOM 877 CD2 PHE A 56 -254.118 -13.626 112.537 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.328 -11.971 112.504 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.392 -14.165 112.656 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.499 -13.326 112.638 1.00 0.00 C ATOM 0 H PHE A 56 -253.755 -11.325 109.448 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.256 -10.792 110.827 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.853 -12.296 112.730 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.562 -10.693 112.779 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -254.945 -10.374 112.273 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.255 -14.276 112.554 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.188 -11.318 112.494 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.522 -15.232 112.762 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.493 -13.739 112.729 1.00 0.00 H new ATOM 890 N LEU A 57 -250.983 -13.533 110.662 1.00 0.00 N ATOM 891 CA LEU A 57 -250.611 -14.800 110.042 1.00 0.00 C ATOM 892 C LEU A 57 -251.305 -15.909 110.803 1.00 0.00 C ATOM 893 O LEU A 57 -251.832 -15.669 111.883 1.00 0.00 O ATOM 894 CB LEU A 57 -249.086 -15.023 110.057 1.00 0.00 C ATOM 895 CG LEU A 57 -248.225 -14.005 109.291 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.509 -12.604 109.777 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.748 -14.317 109.460 1.00 0.00 C ATOM 0 H LEU A 57 -250.517 -13.341 111.549 1.00 0.00 H new ATOM 0 HA LEU A 57 -250.919 -14.790 108.996 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.755 -15.033 111.096 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -248.884 -16.013 109.648 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.480 -14.074 108.233 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -247.892 -11.895 109.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.561 -12.370 109.617 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.279 -12.534 110.840 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.156 -13.585 108.910 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.486 -14.275 110.517 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.540 -15.315 109.074 1.00 0.00 H new ATOM 909 N MET A 58 -251.325 -17.104 110.253 1.00 0.00 N ATOM 910 CA MET A 58 -251.940 -18.230 110.934 1.00 0.00 C ATOM 911 C MET A 58 -251.478 -19.545 110.354 1.00 0.00 C ATOM 912 O MET A 58 -251.111 -19.621 109.182 1.00 0.00 O ATOM 913 CB MET A 58 -253.462 -18.162 110.848 1.00 0.00 C ATOM 914 CG MET A 58 -254.123 -17.539 112.065 1.00 0.00 C ATOM 915 SD MET A 58 -255.904 -17.778 112.074 1.00 0.00 S ATOM 916 CE MET A 58 -255.959 -19.520 111.684 1.00 0.00 C ATOM 0 H MET A 58 -250.925 -17.324 109.341 1.00 0.00 H new ATOM 0 HA MET A 58 -251.632 -18.171 111.978 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.740 -17.589 109.963 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.853 -19.170 110.711 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.696 -17.973 112.969 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.902 -16.472 112.089 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.978 -19.887 111.802 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.635 -19.673 110.654 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.297 -20.065 112.357 1.00 0.00 H new ATOM 926 N GLU A 59 -251.503 -20.573 111.183 1.00 0.00 N ATOM 927 CA GLU A 59 -251.207 -21.918 110.741 1.00 0.00 C ATOM 928 C GLU A 59 -252.479 -22.722 110.588 1.00 0.00 C ATOM 929 O GLU A 59 -253.137 -23.058 111.575 1.00 0.00 O ATOM 930 CB GLU A 59 -250.296 -22.634 111.724 1.00 0.00 C ATOM 931 CG GLU A 59 -248.841 -22.248 111.608 1.00 0.00 C ATOM 932 CD GLU A 59 -247.973 -23.151 112.445 1.00 0.00 C ATOM 933 OE1 GLU A 59 -248.077 -24.387 112.285 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.212 -22.635 113.282 1.00 0.00 O ATOM 0 H GLU A 59 -251.728 -20.497 112.175 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.703 -21.836 109.778 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -250.637 -22.424 112.738 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -250.389 -23.709 111.572 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.529 -22.303 110.565 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -248.709 -21.214 111.926 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.734 -22.088 115.175 1.00 0.00 N ATOM 1263 CA ARG A 78 -253.238 -20.994 116.001 1.00 0.00 C ATOM 1264 C ARG A 78 -253.042 -19.735 115.173 1.00 0.00 C ATOM 1265 O ARG A 78 -252.739 -19.804 113.978 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.928 -21.367 116.706 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.792 -21.736 115.769 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.508 -21.979 116.541 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.510 -22.674 115.738 1.00 0.00 N ATOM 1270 CZ ARG A 78 -248.029 -23.874 116.039 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -248.408 -24.484 117.153 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.167 -24.462 115.227 1.00 0.00 N ATOM 0 HA ARG A 78 -253.991 -20.801 116.765 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.612 -20.528 117.327 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -252.117 -22.206 117.376 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -251.057 -22.631 115.205 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.639 -20.936 115.044 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -249.102 -21.025 116.878 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.727 -22.565 117.433 1.00 0.00 H new ATOM 0 HE ARG A 78 -248.162 -22.213 114.898 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -249.071 -24.031 117.782 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -248.036 -25.406 117.381 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -246.872 -23.993 114.370 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -246.797 -25.384 115.457 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.221 -18.592 115.816 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.075 -17.305 115.160 1.00 0.00 C ATOM 1288 C ALA A 79 -251.714 -16.703 115.478 1.00 0.00 C ATOM 1289 O ALA A 79 -251.223 -16.840 116.593 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.189 -16.364 115.589 1.00 0.00 C ATOM 0 H ALA A 79 -253.471 -18.531 116.803 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.145 -17.452 114.082 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.066 -15.403 115.089 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.153 -16.794 115.317 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.147 -16.219 116.669 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.111 -16.057 114.494 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.794 -15.464 114.654 1.00 0.00 C ATOM 1298 C ILE A 80 -249.841 -14.159 115.426 1.00 0.00 C ATOM 1299 O ILE A 80 -250.420 -13.168 114.972 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.100 -15.249 113.294 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.495 -16.570 112.821 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -248.024 -14.170 113.376 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.410 -17.075 113.738 1.00 0.00 C ATOM 0 H ILE A 80 -251.518 -15.929 113.567 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.208 -16.176 115.235 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.846 -14.909 112.576 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.282 -17.320 112.749 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -248.086 -16.440 111.819 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.557 -14.047 112.399 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.477 -13.227 113.683 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.268 -14.464 114.104 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.017 -18.016 113.353 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.607 -16.340 113.790 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.821 -17.235 114.735 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.259 -14.186 116.610 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.957 -12.967 117.302 1.00 0.00 C ATOM 1317 C GLY A 81 -247.645 -12.407 116.803 1.00 0.00 C ATOM 1318 O GLY A 81 -246.730 -13.164 116.499 1.00 0.00 O ATOM 0 H GLY A 81 -248.991 -15.038 117.103 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.756 -12.242 117.146 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -248.900 -13.152 118.375 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.527 -11.084 116.678 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.315 -10.431 116.193 1.00 0.00 C ATOM 1324 C PRO A 82 -245.070 -10.810 116.978 1.00 0.00 C ATOM 1325 O PRO A 82 -243.954 -10.757 116.454 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.633 -8.947 116.358 1.00 0.00 C ATOM 1327 CG PRO A 82 -248.109 -8.887 116.264 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.570 -10.111 116.987 1.00 0.00 C ATOM 0 HA PRO A 82 -246.080 -10.725 115.170 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.278 -8.566 117.316 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -246.158 -8.348 115.581 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.501 -7.980 116.725 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.443 -8.887 115.226 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.656 -9.938 118.060 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.548 -10.442 116.638 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.273 -11.158 118.235 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.202 -11.617 119.093 1.00 0.00 C ATOM 1338 C GLU A 83 -243.705 -12.987 118.642 1.00 0.00 C ATOM 1339 O GLU A 83 -242.503 -13.228 118.547 1.00 0.00 O ATOM 1340 CB GLU A 83 -244.705 -11.680 120.523 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.418 -10.410 120.965 1.00 0.00 C ATOM 1342 CD GLU A 83 -244.856 -9.144 120.338 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -243.703 -8.771 120.633 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -245.570 -8.512 119.530 1.00 0.00 O ATOM 0 H GLU A 83 -246.186 -11.130 118.688 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.366 -10.920 119.033 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.386 -12.525 120.625 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -243.863 -11.867 121.189 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -246.475 -10.491 120.713 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -245.354 -10.327 122.050 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.653 -13.877 118.381 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.362 -15.193 117.818 1.00 0.00 C ATOM 1353 C GLU A 84 -243.798 -15.042 116.411 1.00 0.00 C ATOM 1354 O GLU A 84 -244.529 -14.776 115.458 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.632 -16.041 117.770 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.305 -16.218 119.118 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.680 -16.839 118.992 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.600 -16.140 118.513 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.842 -18.018 119.369 1.00 0.00 O ATOM 0 H GLU A 84 -245.644 -13.710 118.552 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.627 -15.689 118.452 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.339 -15.580 117.080 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.386 -17.023 117.366 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.681 -16.846 119.754 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.389 -15.249 119.610 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.497 -15.206 116.279 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.836 -14.965 115.013 1.00 0.00 C ATOM 1368 C GLU A 85 -241.858 -16.190 114.115 1.00 0.00 C ATOM 1369 O GLU A 85 -241.737 -17.326 114.574 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.407 -14.507 115.246 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.326 -13.207 116.018 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.917 -12.651 116.045 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.369 -12.378 114.960 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.365 -12.440 117.139 1.00 0.00 O ATOM 0 H GLU A 85 -241.877 -15.505 117.032 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.388 -14.177 114.501 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.866 -15.282 115.790 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.908 -14.385 114.285 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.996 -12.475 115.567 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.672 -13.369 117.039 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.987 -15.935 112.824 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.084 -16.982 111.816 1.00 0.00 C ATOM 1383 C ILE A 86 -240.847 -17.869 111.797 1.00 0.00 C ATOM 1384 O ILE A 86 -240.940 -19.070 111.560 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.295 -16.365 110.422 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.152 -15.397 110.086 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.634 -15.654 110.388 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.335 -14.658 108.780 1.00 0.00 C ATOM 0 H ILE A 86 -242.028 -14.990 112.441 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.941 -17.602 112.077 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.294 -17.155 109.671 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.057 -14.670 110.893 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.217 -15.955 110.048 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -243.788 -15.215 109.402 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.431 -16.368 110.596 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.647 -14.867 111.142 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -240.486 -13.995 108.615 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.399 -15.375 107.962 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.252 -14.070 108.820 1.00 0.00 H new ATOM 1400 N MET A 87 -239.692 -17.282 112.070 1.00 0.00 N ATOM 1401 CA MET A 87 -238.449 -18.034 112.075 1.00 0.00 C ATOM 1402 C MET A 87 -238.388 -18.962 113.275 1.00 0.00 C ATOM 1403 O MET A 87 -237.663 -19.949 113.264 1.00 0.00 O ATOM 1404 CB MET A 87 -237.239 -17.102 112.042 1.00 0.00 C ATOM 1405 CG MET A 87 -236.988 -16.515 110.662 1.00 0.00 C ATOM 1406 SD MET A 87 -236.710 -17.797 109.422 1.00 0.00 S ATOM 1407 CE MET A 87 -236.770 -16.841 107.910 1.00 0.00 C ATOM 0 H MET A 87 -239.590 -16.291 112.290 1.00 0.00 H new ATOM 0 HA MET A 87 -238.421 -18.643 111.172 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.390 -16.292 112.755 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.354 -17.650 112.366 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.841 -15.904 110.367 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.122 -15.855 110.701 1.00 0.00 H new ATOM 0 HE1 MET A 87 -236.988 -17.501 107.071 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.550 -16.084 107.989 1.00 0.00 H new ATOM 0 HE3 MET A 87 -235.808 -16.355 107.749 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.185 -18.668 114.295 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.237 -19.527 115.469 1.00 0.00 C ATOM 1419 C GLN A 88 -240.075 -20.741 115.121 1.00 0.00 C ATOM 1420 O GLN A 88 -239.789 -21.868 115.523 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.842 -18.787 116.660 1.00 0.00 C ATOM 1422 CG GLN A 88 -239.138 -17.482 116.968 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.847 -16.666 118.029 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -241.061 -16.760 118.192 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -239.098 -15.840 118.741 1.00 0.00 N ATOM 0 H GLN A 88 -239.796 -17.852 114.333 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.229 -19.829 115.752 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.894 -18.587 116.459 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.802 -19.431 117.539 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -238.121 -17.693 117.298 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -239.061 -16.892 116.055 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -238.093 -15.792 118.575 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -239.526 -15.252 119.456 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.103 -20.469 114.334 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.996 -21.486 113.813 1.00 0.00 C ATOM 1436 C ILE A 89 -241.236 -22.458 112.919 1.00 0.00 C ATOM 1437 O ILE A 89 -241.300 -23.673 113.089 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.109 -20.828 112.994 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.741 -19.699 113.809 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.155 -21.853 112.578 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.235 -20.116 115.179 1.00 0.00 C ATOM 0 H ILE A 89 -241.342 -19.523 114.036 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.424 -22.031 114.655 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.681 -20.410 112.083 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.009 -18.900 113.928 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.577 -19.285 113.245 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -244.935 -21.361 111.997 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.685 -22.627 111.972 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.595 -22.305 113.467 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.668 -19.254 115.687 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.992 -20.892 115.072 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.401 -20.502 115.765 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.490 -21.893 111.982 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.735 -22.670 111.010 1.00 0.00 C ATOM 1455 C LEU A 90 -238.593 -23.437 111.675 1.00 0.00 C ATOM 1456 O LEU A 90 -238.149 -24.463 111.165 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.198 -21.736 109.925 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.274 -20.989 109.130 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -239.703 -19.729 108.507 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -240.867 -21.886 108.055 1.00 0.00 C ATOM 0 H LEU A 90 -240.391 -20.884 111.874 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.400 -23.407 110.559 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.536 -21.005 110.390 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -238.592 -22.319 109.231 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.068 -20.704 109.820 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -240.484 -19.214 107.947 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.327 -19.073 109.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -238.888 -19.993 107.833 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -241.629 -21.336 107.502 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.080 -22.203 107.371 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.318 -22.762 108.520 1.00 0.00 H new ATOM 1472 N SER A 91 -238.129 -22.945 112.820 1.00 0.00 N ATOM 1473 CA SER A 91 -237.065 -23.614 113.561 1.00 0.00 C ATOM 1474 C SER A 91 -237.598 -24.808 114.354 1.00 0.00 C ATOM 1475 O SER A 91 -236.824 -25.581 114.914 1.00 0.00 O ATOM 1476 CB SER A 91 -236.364 -22.633 114.503 1.00 0.00 C ATOM 1477 OG SER A 91 -235.715 -21.601 113.779 1.00 0.00 O ATOM 0 H SER A 91 -238.472 -22.088 113.254 1.00 0.00 H new ATOM 0 HA SER A 91 -236.344 -23.985 112.832 1.00 0.00 H new ATOM 0 HB2 SER A 91 -237.093 -22.198 115.187 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.635 -23.168 115.112 1.00 0.00 H new ATOM 0 HG SER A 91 -236.382 -21.075 113.290 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.335 -20.985 106.013 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.614 -19.660 106.538 1.00 0.00 C ATOM 1660 C ILE A 103 -250.717 -19.005 105.772 1.00 0.00 C ATOM 1661 O ILE A 103 -250.712 -18.949 104.542 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.387 -18.723 106.515 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.212 -19.350 107.271 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.743 -17.368 107.117 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.049 -18.402 107.475 1.00 0.00 C ATOM 0 HA ILE A 103 -249.904 -19.815 107.577 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.087 -18.576 105.477 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.561 -19.699 108.243 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -246.864 -20.226 106.724 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.868 -16.718 107.094 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.548 -16.913 106.539 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.068 -17.502 108.149 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.254 -18.913 108.017 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.674 -18.072 106.506 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.381 -17.537 108.049 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.659 -18.509 106.523 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.699 -17.716 105.980 1.00 0.00 C ATOM 1679 C VAL A 104 -252.520 -16.324 106.491 1.00 0.00 C ATOM 1680 O VAL A 104 -252.396 -16.125 107.700 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.102 -18.175 106.406 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -255.114 -17.264 105.787 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.407 -19.575 105.979 1.00 0.00 C ATOM 0 H VAL A 104 -251.718 -18.650 107.531 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.635 -17.795 104.895 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.138 -18.143 107.495 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -256.115 -17.579 106.081 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.940 -16.243 106.126 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -255.025 -17.306 104.701 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.411 -19.845 106.307 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -254.349 -19.645 104.893 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.684 -20.257 106.425 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.469 -15.364 105.610 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.671 -14.027 106.055 1.00 0.00 C ATOM 1695 C LEU A 105 -254.151 -13.925 106.342 1.00 0.00 C ATOM 1696 O LEU A 105 -254.980 -13.900 105.437 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.259 -13.013 105.008 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.007 -11.629 105.569 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.882 -11.712 106.575 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.682 -10.639 104.463 1.00 0.00 C ATOM 0 H LEU A 105 -252.295 -15.481 104.612 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.062 -13.809 106.932 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.355 -13.364 104.510 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.038 -12.951 104.248 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.909 -11.267 106.062 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.689 -10.722 106.988 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.163 -12.392 107.379 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -249.982 -12.082 106.084 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.506 -9.654 104.896 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.788 -10.967 103.932 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.518 -10.585 103.766 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.470 -13.931 107.598 1.00 0.00 N ATOM 1713 CA LYS A 106 -255.839 -13.976 108.030 1.00 0.00 C ATOM 1714 C LYS A 106 -256.335 -12.552 108.243 1.00 0.00 C ATOM 1715 O LYS A 106 -255.597 -11.588 108.020 1.00 0.00 O ATOM 1716 CB LYS A 106 -255.961 -14.762 109.331 1.00 0.00 C ATOM 1717 CG LYS A 106 -255.815 -16.264 109.166 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.068 -16.901 108.580 1.00 0.00 C ATOM 1719 CE LYS A 106 -256.976 -18.419 108.619 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.200 -19.085 108.098 1.00 0.00 N ATOM 0 H LYS A 106 -253.790 -13.905 108.358 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.441 -14.472 107.269 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.201 -14.409 110.028 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -256.931 -14.550 109.781 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -254.964 -16.476 108.518 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -255.599 -16.715 110.134 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -257.944 -16.572 109.139 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.203 -16.567 107.551 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.115 -18.741 108.033 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -256.802 -18.741 109.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.082 -20.117 108.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.020 -18.802 108.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.355 -18.802 107.109 1.00 0.00 H new ATOM 1734 N THR A 107 -257.551 -12.421 108.723 1.00 0.00 N ATOM 1735 CA THR A 107 -258.130 -11.138 109.003 1.00 0.00 C ATOM 1736 C THR A 107 -258.738 -11.185 110.400 1.00 0.00 C ATOM 1737 O THR A 107 -259.428 -12.141 110.752 1.00 0.00 O ATOM 1738 CB THR A 107 -259.240 -10.789 107.986 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.188 -11.862 107.912 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.664 -10.534 106.606 1.00 0.00 C ATOM 0 H THR A 107 -258.165 -13.209 108.929 1.00 0.00 H new ATOM 0 HA THR A 107 -257.353 -10.377 108.934 1.00 0.00 H new ATOM 0 HB THR A 107 -259.733 -9.879 108.328 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.290 -12.270 108.797 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.471 -10.291 105.914 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.963 -9.701 106.653 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.144 -11.427 106.258 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.460 -10.175 111.192 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.081 -10.004 112.512 1.00 0.00 C ATOM 1750 C GLN A 108 -260.522 -9.521 112.322 1.00 0.00 C ATOM 1751 O GLN A 108 -261.214 -9.135 113.257 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.256 -8.986 113.313 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.197 -9.221 114.811 1.00 0.00 C ATOM 1754 CD GLN A 108 -259.382 -8.651 115.571 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.813 -9.215 116.577 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -259.890 -7.511 115.127 1.00 0.00 N ATOM 0 H GLN A 108 -257.796 -9.439 110.950 1.00 0.00 H new ATOM 0 HA GLN A 108 -259.102 -10.946 113.060 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.238 -8.984 112.924 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.667 -7.992 113.135 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -258.139 -10.293 114.999 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -257.281 -8.779 115.202 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -259.506 -7.073 114.289 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -260.665 -7.071 115.623 1.00 0.00 H new