USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=17 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 Set 1.1: A 36 GLN :FLIP amide:sc=-0.00692 F(o=-0.81,f=-0.0069) USER MOD Set 1.2: A 39 GLN : amide:sc= 0 K(o=-0.0069,f=-0.64) USER MOD Single : A 9 THR OG1 : rot 41:sc= 0.368 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0085 USER MOD Single : A 15 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-5.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 46:sc= -3.52! USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= 0.677 (180deg=-1.41) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.14 F(o=-3.2!,f=-1.1) USER MOD Single : A 43 THR OG1 : rot 54:sc= 1.11 USER MOD Single : A 53 THR OG1 : rot 109:sc= 1.02 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -178:sc= -3.06! (180deg=-3.29!) USER MOD Single : A 87 MET CE :methyl -168:sc= 0 (180deg=-0.12) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 91 SER OG : rot 46:sc= 1.21 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.123 F(o=-0.97,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.881 -12.988 103.787 1.00 0.00 N ATOM 134 CA THR A 9 -233.220 -12.688 103.328 1.00 0.00 C ATOM 135 C THR A 9 -233.944 -13.979 102.930 1.00 0.00 C ATOM 136 O THR A 9 -233.625 -14.598 101.914 1.00 0.00 O ATOM 137 CB THR A 9 -233.166 -11.728 102.121 1.00 0.00 C ATOM 138 OG1 THR A 9 -232.255 -12.234 101.133 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.716 -10.339 102.546 1.00 0.00 C ATOM 0 HA THR A 9 -233.767 -12.209 104.140 1.00 0.00 H new ATOM 0 HB THR A 9 -234.170 -11.660 101.702 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.370 -13.204 101.049 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.687 -9.684 101.675 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.416 -9.938 103.279 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.722 -10.398 102.989 1.00 0.00 H new ATOM 147 N HIS A 10 -234.889 -14.411 103.755 1.00 0.00 N ATOM 148 CA HIS A 10 -235.656 -15.621 103.460 1.00 0.00 C ATOM 149 C HIS A 10 -237.076 -15.268 103.054 1.00 0.00 C ATOM 150 O HIS A 10 -237.732 -14.477 103.706 1.00 0.00 O ATOM 151 CB HIS A 10 -235.710 -16.566 104.669 1.00 0.00 C ATOM 152 CG HIS A 10 -234.378 -16.911 105.273 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.528 -17.862 104.750 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.770 -16.447 106.393 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.461 -17.969 105.520 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.581 -17.121 106.525 1.00 0.00 N ATOM 0 H HIS A 10 -235.144 -13.948 104.628 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.148 -16.127 102.639 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.332 -16.110 105.439 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.203 -17.489 104.366 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -234.151 -15.687 107.059 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.629 -18.638 105.355 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.903 -16.989 107.275 1.00 0.00 H new ATOM 165 N ARG A 11 -237.547 -15.856 101.978 1.00 0.00 N ATOM 166 CA ARG A 11 -238.899 -15.653 101.544 1.00 0.00 C ATOM 167 C ARG A 11 -239.830 -16.656 102.210 1.00 0.00 C ATOM 168 O ARG A 11 -239.461 -17.810 102.432 1.00 0.00 O ATOM 169 CB ARG A 11 -238.974 -15.757 100.039 1.00 0.00 C ATOM 170 CG ARG A 11 -239.815 -14.656 99.469 1.00 0.00 C ATOM 171 CD ARG A 11 -239.470 -14.381 98.023 1.00 0.00 C ATOM 172 NE ARG A 11 -240.340 -13.364 97.423 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.978 -12.576 96.409 1.00 0.00 C ATOM 174 NH1 ARG A 11 -238.762 -12.683 95.884 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.828 -11.676 95.928 1.00 0.00 N ATOM 0 H ARG A 11 -237.003 -16.484 101.386 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.222 -14.654 101.838 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.970 -15.709 99.617 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.393 -16.723 99.758 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.868 -14.925 99.547 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.673 -13.749 100.056 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -238.433 -14.053 97.956 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -239.549 -15.306 97.451 1.00 0.00 H new ATOM 0 HE ARG A 11 -241.279 -13.252 97.804 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -238.104 -13.368 96.256 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -238.486 -12.080 95.109 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -241.759 -11.586 96.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.549 -11.075 95.153 1.00 0.00 H new ATOM 189 N VAL A 12 -241.029 -16.211 102.529 1.00 0.00 N ATOM 190 CA VAL A 12 -241.999 -17.040 103.218 1.00 0.00 C ATOM 191 C VAL A 12 -243.309 -17.041 102.436 1.00 0.00 C ATOM 192 O VAL A 12 -243.885 -15.983 102.166 1.00 0.00 O ATOM 193 CB VAL A 12 -242.218 -16.549 104.667 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.386 -15.038 104.708 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.408 -17.251 105.307 1.00 0.00 C ATOM 0 H VAL A 12 -241.358 -15.269 102.319 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.619 -18.060 103.276 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.331 -16.803 105.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.539 -14.717 105.738 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.491 -14.561 104.308 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.249 -14.751 104.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.540 -16.887 106.326 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.308 -17.043 104.728 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.229 -18.326 105.326 1.00 0.00 H new ATOM 205 N THR A 13 -243.745 -18.224 102.023 1.00 0.00 N ATOM 206 CA THR A 13 -244.904 -18.346 101.152 1.00 0.00 C ATOM 207 C THR A 13 -246.191 -18.127 101.949 1.00 0.00 C ATOM 208 O THR A 13 -246.487 -18.879 102.880 1.00 0.00 O ATOM 209 CB THR A 13 -244.967 -19.739 100.507 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.720 -20.056 99.872 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.100 -19.809 99.493 1.00 0.00 C ATOM 0 H THR A 13 -243.313 -19.112 102.278 1.00 0.00 H new ATOM 0 HA THR A 13 -244.808 -17.590 100.373 1.00 0.00 H new ATOM 0 HB THR A 13 -245.156 -20.469 101.294 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.776 -20.947 99.468 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.128 -20.803 99.047 1.00 0.00 H new ATOM 0 HG22 THR A 13 -247.048 -19.608 99.992 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.936 -19.066 98.713 1.00 0.00 H new ATOM 219 N VAL A 14 -246.955 -17.118 101.580 1.00 0.00 N ATOM 220 CA VAL A 14 -248.172 -16.780 102.294 1.00 0.00 C ATOM 221 C VAL A 14 -249.396 -17.294 101.538 1.00 0.00 C ATOM 222 O VAL A 14 -249.616 -16.938 100.382 1.00 0.00 O ATOM 223 CB VAL A 14 -248.272 -15.254 102.487 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.382 -14.890 103.456 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.942 -14.697 102.965 1.00 0.00 C ATOM 0 H VAL A 14 -246.753 -16.513 100.784 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.141 -17.258 103.273 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.515 -14.807 101.523 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.425 -13.807 103.569 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.335 -15.253 103.071 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.184 -15.349 104.425 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.026 -13.618 103.097 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.674 -15.160 103.915 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.170 -14.913 102.226 1.00 0.00 H new ATOM 235 N HIS A 15 -250.180 -18.147 102.189 1.00 0.00 N ATOM 236 CA HIS A 15 -251.363 -18.736 101.568 1.00 0.00 C ATOM 237 C HIS A 15 -252.615 -17.944 101.911 1.00 0.00 C ATOM 238 O HIS A 15 -253.688 -18.202 101.375 1.00 0.00 O ATOM 239 CB HIS A 15 -251.549 -20.176 102.045 1.00 0.00 C ATOM 240 CG HIS A 15 -251.616 -21.170 100.932 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.921 -20.828 99.637 1.00 0.00 N ATOM 242 CD2 HIS A 15 -251.364 -22.498 100.920 1.00 0.00 C ATOM 243 CE1 HIS A 15 -251.844 -21.899 98.875 1.00 0.00 C ATOM 244 NE2 HIS A 15 -251.513 -22.930 99.627 1.00 0.00 N ATOM 0 H HIS A 15 -250.017 -18.447 103.150 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.212 -18.716 100.489 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -250.725 -20.440 102.708 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.464 -20.240 102.634 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -252.168 -19.892 99.316 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -251.095 -23.106 101.771 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -252.022 -21.928 97.810 1.00 0.00 H new ATOM 253 N GLY A 16 -252.470 -16.995 102.818 1.00 0.00 N ATOM 254 CA GLY A 16 -253.622 -16.247 103.285 1.00 0.00 C ATOM 255 C GLY A 16 -253.920 -15.041 102.427 1.00 0.00 C ATOM 256 O GLY A 16 -255.076 -14.663 102.256 1.00 0.00 O ATOM 0 H GLY A 16 -251.581 -16.727 103.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.493 -16.902 103.300 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.449 -15.924 104.311 1.00 0.00 H new ATOM 260 N VAL A 17 -252.874 -14.434 101.893 1.00 0.00 N ATOM 261 CA VAL A 17 -253.032 -13.313 100.987 1.00 0.00 C ATOM 262 C VAL A 17 -253.753 -13.779 99.723 1.00 0.00 C ATOM 263 O VAL A 17 -253.317 -14.727 99.070 1.00 0.00 O ATOM 264 CB VAL A 17 -251.661 -12.679 100.641 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.652 -13.750 100.270 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.781 -11.657 99.515 1.00 0.00 C ATOM 0 H VAL A 17 -251.906 -14.700 102.072 1.00 0.00 H new ATOM 0 HA VAL A 17 -253.631 -12.545 101.476 1.00 0.00 H new ATOM 0 HB VAL A 17 -251.311 -12.157 101.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.697 -13.283 100.031 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -250.522 -14.433 101.109 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -251.012 -14.304 99.403 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.799 -11.234 99.301 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.169 -12.145 98.621 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.461 -10.860 99.818 1.00 0.00 H new ATOM 326 N PRO A 22 -252.635 -18.123 94.321 1.00 0.00 N ATOM 327 CA PRO A 22 -253.155 -18.980 95.388 1.00 0.00 C ATOM 328 C PRO A 22 -252.368 -18.752 96.658 1.00 0.00 C ATOM 329 O PRO A 22 -252.868 -18.819 97.783 1.00 0.00 O ATOM 330 CB PRO A 22 -252.888 -20.390 94.856 1.00 0.00 C ATOM 331 CG PRO A 22 -252.336 -20.200 93.480 1.00 0.00 C ATOM 332 CD PRO A 22 -251.724 -18.855 93.443 1.00 0.00 C ATOM 0 HA PRO A 22 -254.203 -18.795 95.624 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.181 -20.922 95.492 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -253.804 -20.981 94.833 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -251.596 -20.967 93.252 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.125 -20.286 92.733 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -250.700 -18.855 93.816 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -251.696 -18.440 92.436 1.00 0.00 H new ATOM 340 N PHE A 23 -251.111 -18.513 96.415 1.00 0.00 N ATOM 341 CA PHE A 23 -250.132 -18.202 97.437 1.00 0.00 C ATOM 342 C PHE A 23 -249.114 -17.236 96.858 1.00 0.00 C ATOM 343 O PHE A 23 -248.786 -17.320 95.674 1.00 0.00 O ATOM 344 CB PHE A 23 -249.432 -19.483 97.907 1.00 0.00 C ATOM 345 CG PHE A 23 -248.785 -20.272 96.794 1.00 0.00 C ATOM 346 CD1 PHE A 23 -249.516 -21.201 96.068 1.00 0.00 C ATOM 347 CD2 PHE A 23 -247.449 -20.084 96.474 1.00 0.00 C ATOM 348 CE1 PHE A 23 -248.928 -21.922 95.046 1.00 0.00 C ATOM 349 CE2 PHE A 23 -246.856 -20.801 95.453 1.00 0.00 C ATOM 350 CZ PHE A 23 -247.596 -21.721 94.738 1.00 0.00 C ATOM 0 H PHE A 23 -250.719 -18.528 95.473 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.628 -17.747 98.295 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.671 -19.221 98.642 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.159 -20.118 98.413 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -250.557 -21.363 96.304 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -246.864 -19.367 97.031 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -249.509 -22.642 94.489 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -245.815 -20.642 95.215 1.00 0.00 H new ATOM 0 HZ PHE A 23 -247.135 -22.283 93.939 1.00 0.00 H new ATOM 360 N THR A 24 -248.633 -16.314 97.663 1.00 0.00 N ATOM 361 CA THR A 24 -247.573 -15.430 97.226 1.00 0.00 C ATOM 362 C THR A 24 -246.550 -15.283 98.349 1.00 0.00 C ATOM 363 O THR A 24 -246.899 -15.260 99.529 1.00 0.00 O ATOM 364 CB THR A 24 -248.114 -14.057 96.751 1.00 0.00 C ATOM 365 OG1 THR A 24 -247.151 -13.406 95.914 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.452 -13.151 97.914 1.00 0.00 C ATOM 0 H THR A 24 -248.956 -16.157 98.618 1.00 0.00 H new ATOM 0 HA THR A 24 -247.085 -15.871 96.357 1.00 0.00 H new ATOM 0 HB THR A 24 -249.028 -14.249 96.189 1.00 0.00 H new ATOM 0 HG1 THR A 24 -247.505 -12.541 95.619 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.827 -12.200 97.537 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.215 -13.623 98.533 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.557 -12.977 98.511 1.00 0.00 H new ATOM 374 N VAL A 25 -245.289 -15.225 97.973 1.00 0.00 N ATOM 375 CA VAL A 25 -244.188 -15.349 98.918 1.00 0.00 C ATOM 376 C VAL A 25 -243.429 -14.019 99.027 1.00 0.00 C ATOM 377 O VAL A 25 -243.024 -13.462 98.009 1.00 0.00 O ATOM 378 CB VAL A 25 -243.222 -16.440 98.418 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.251 -16.877 99.486 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.976 -17.624 97.840 1.00 0.00 C ATOM 0 H VAL A 25 -244.994 -15.091 97.006 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.585 -15.613 99.898 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.632 -15.996 97.616 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.592 -17.647 99.085 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.657 -16.022 99.809 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.802 -17.278 100.337 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.265 -18.375 97.496 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.618 -18.056 98.607 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.587 -17.292 97.001 1.00 0.00 H new ATOM 390 N PHE A 26 -243.228 -13.510 100.243 1.00 0.00 N ATOM 391 CA PHE A 26 -242.494 -12.246 100.424 1.00 0.00 C ATOM 392 C PHE A 26 -241.193 -12.476 101.165 1.00 0.00 C ATOM 393 O PHE A 26 -241.108 -13.344 102.037 1.00 0.00 O ATOM 394 CB PHE A 26 -243.320 -11.193 101.160 1.00 0.00 C ATOM 395 CG PHE A 26 -244.633 -10.896 100.495 1.00 0.00 C ATOM 396 CD1 PHE A 26 -244.715 -9.919 99.520 1.00 0.00 C ATOM 397 CD2 PHE A 26 -245.780 -11.589 100.846 1.00 0.00 C ATOM 398 CE1 PHE A 26 -245.918 -9.637 98.901 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.985 -11.310 100.234 1.00 0.00 C ATOM 400 CZ PHE A 26 -247.054 -10.332 99.261 1.00 0.00 C ATOM 0 H PHE A 26 -243.555 -13.941 101.108 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.281 -11.868 99.424 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.506 -11.534 102.179 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.741 -10.272 101.232 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -243.829 -9.370 99.239 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -245.731 -12.355 101.606 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -245.969 -8.875 98.138 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -247.873 -11.856 100.516 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.997 -10.112 98.782 1.00 0.00 H new ATOM 410 N THR A 27 -240.178 -11.709 100.799 1.00 0.00 N ATOM 411 CA THR A 27 -238.845 -11.908 101.333 1.00 0.00 C ATOM 412 C THR A 27 -238.645 -11.127 102.622 1.00 0.00 C ATOM 413 O THR A 27 -239.105 -9.995 102.759 1.00 0.00 O ATOM 414 CB THR A 27 -237.764 -11.484 100.324 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.304 -11.474 99.000 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.582 -12.437 100.382 1.00 0.00 C ATOM 0 H THR A 27 -240.255 -10.941 100.132 1.00 0.00 H new ATOM 0 HA THR A 27 -238.747 -12.974 101.536 1.00 0.00 H new ATOM 0 HB THR A 27 -237.425 -10.481 100.584 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.609 -11.201 98.365 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.826 -12.123 99.662 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.155 -12.426 101.385 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.916 -13.446 100.141 1.00 0.00 H new ATOM 424 N ILE A 28 -237.962 -11.750 103.558 1.00 0.00 N ATOM 425 CA ILE A 28 -237.651 -11.133 104.825 1.00 0.00 C ATOM 426 C ILE A 28 -236.165 -10.816 104.862 1.00 0.00 C ATOM 427 O ILE A 28 -235.466 -11.068 103.891 1.00 0.00 O ATOM 428 CB ILE A 28 -238.067 -12.063 105.995 1.00 0.00 C ATOM 429 CG1 ILE A 28 -237.083 -13.224 106.214 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.445 -12.638 105.703 1.00 0.00 C ATOM 431 CD1 ILE A 28 -236.031 -12.987 107.280 1.00 0.00 C ATOM 0 H ILE A 28 -237.607 -12.701 103.459 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.211 -10.205 104.938 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.070 -11.460 106.903 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -237.651 -14.116 106.479 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -236.580 -13.435 105.270 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.746 -13.293 106.520 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.165 -11.826 105.605 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.412 -13.208 104.774 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -235.388 -13.863 107.357 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -235.430 -12.118 107.011 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -236.518 -12.809 108.239 1.00 0.00 H new ATOM 443 N ASN A 29 -235.681 -10.270 105.963 1.00 0.00 N ATOM 444 CA ASN A 29 -234.267 -9.951 106.099 1.00 0.00 C ATOM 445 C ASN A 29 -233.870 -9.949 107.567 1.00 0.00 C ATOM 446 O ASN A 29 -234.634 -9.492 108.425 1.00 0.00 O ATOM 447 CB ASN A 29 -233.929 -8.604 105.448 1.00 0.00 C ATOM 448 CG ASN A 29 -234.728 -7.449 106.011 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.310 -6.792 106.964 1.00 0.00 O ATOM 450 ND2 ASN A 29 -235.880 -7.183 105.419 1.00 0.00 N ATOM 0 H ASN A 29 -236.246 -10.037 106.779 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.697 -10.720 105.578 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.866 -8.401 105.581 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.108 -8.672 104.375 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.457 -6.410 105.750 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.192 -7.751 104.631 1.00 0.00 H new ATOM 457 N GLY A 30 -232.687 -10.476 107.852 1.00 0.00 N ATOM 458 CA GLY A 30 -232.215 -10.555 109.221 1.00 0.00 C ATOM 459 C GLY A 30 -233.061 -11.483 110.068 1.00 0.00 C ATOM 460 O GLY A 30 -233.063 -12.700 109.860 1.00 0.00 O ATOM 0 H GLY A 30 -232.043 -10.852 107.156 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.182 -10.902 109.227 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.219 -9.558 109.663 1.00 0.00 H new ATOM 464 N GLY A 31 -233.795 -10.903 111.004 1.00 0.00 N ATOM 465 CA GLY A 31 -234.640 -11.680 111.882 1.00 0.00 C ATOM 466 C GLY A 31 -235.993 -11.034 112.068 1.00 0.00 C ATOM 467 O GLY A 31 -236.323 -10.568 113.159 1.00 0.00 O ATOM 0 H GLY A 31 -233.819 -9.897 111.171 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.768 -12.682 111.472 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.153 -11.792 112.851 1.00 0.00 H new ATOM 471 N THR A 32 -236.762 -10.975 110.994 1.00 0.00 N ATOM 472 CA THR A 32 -238.094 -10.394 111.030 1.00 0.00 C ATOM 473 C THR A 32 -239.056 -11.245 111.846 1.00 0.00 C ATOM 474 O THR A 32 -239.125 -12.455 111.648 1.00 0.00 O ATOM 475 CB THR A 32 -238.672 -10.279 109.628 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.253 -11.417 108.872 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.245 -8.999 108.925 1.00 0.00 C ATOM 0 H THR A 32 -236.483 -11.326 110.078 1.00 0.00 H new ATOM 0 HA THR A 32 -237.987 -9.410 111.487 1.00 0.00 H new ATOM 0 HB THR A 32 -239.759 -10.244 109.707 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.376 -12.229 109.407 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.685 -8.967 107.928 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.585 -8.137 109.500 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.158 -8.974 108.843 1.00 0.00 H new ATOM 485 N LYS A 33 -239.803 -10.626 112.749 1.00 0.00 N ATOM 486 CA LYS A 33 -240.911 -11.318 113.394 1.00 0.00 C ATOM 487 C LYS A 33 -242.167 -11.160 112.560 1.00 0.00 C ATOM 488 O LYS A 33 -242.131 -10.585 111.477 1.00 0.00 O ATOM 489 CB LYS A 33 -241.173 -10.800 114.798 1.00 0.00 C ATOM 490 CG LYS A 33 -241.363 -9.310 114.839 1.00 0.00 C ATOM 491 CD LYS A 33 -241.558 -8.779 116.255 1.00 0.00 C ATOM 492 CE LYS A 33 -240.622 -9.436 117.274 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.191 -9.414 116.856 1.00 0.00 N ATOM 0 H LYS A 33 -239.666 -9.661 113.049 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.636 -12.370 113.473 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -242.061 -11.287 115.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.339 -11.074 115.444 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.496 -8.825 114.390 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.228 -9.042 114.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -241.392 -7.702 116.259 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.591 -8.944 116.560 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -240.722 -8.925 118.232 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -240.933 -10.469 117.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.859 -10.388 116.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.095 -8.872 115.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -238.619 -8.967 117.601 1.00 0.00 H new ATOM 507 N ALA A 34 -243.276 -11.622 113.101 1.00 0.00 N ATOM 508 CA ALA A 34 -244.545 -11.650 112.383 1.00 0.00 C ATOM 509 C ALA A 34 -245.077 -10.254 112.086 1.00 0.00 C ATOM 510 O ALA A 34 -245.873 -10.072 111.177 1.00 0.00 O ATOM 511 CB ALA A 34 -245.565 -12.410 113.203 1.00 0.00 C ATOM 0 H ALA A 34 -243.328 -11.990 114.051 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.371 -12.144 111.427 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.516 -12.434 112.670 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.215 -13.429 113.366 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.700 -11.915 114.165 1.00 0.00 H new ATOM 517 N LYS A 35 -244.643 -9.276 112.861 1.00 0.00 N ATOM 518 CA LYS A 35 -245.152 -7.922 112.740 1.00 0.00 C ATOM 519 C LYS A 35 -244.448 -7.217 111.594 1.00 0.00 C ATOM 520 O LYS A 35 -245.088 -6.692 110.679 1.00 0.00 O ATOM 521 CB LYS A 35 -244.941 -7.204 114.079 1.00 0.00 C ATOM 522 CG LYS A 35 -244.813 -5.702 113.971 1.00 0.00 C ATOM 523 CD LYS A 35 -246.112 -5.049 113.532 1.00 0.00 C ATOM 524 CE LYS A 35 -247.222 -5.251 114.552 1.00 0.00 C ATOM 525 NZ LYS A 35 -248.526 -4.728 114.063 1.00 0.00 N ATOM 0 H LYS A 35 -243.935 -9.396 113.585 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.218 -7.921 112.514 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.777 -7.438 114.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -244.042 -7.600 114.551 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -244.510 -5.294 114.935 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -244.025 -5.456 113.259 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -245.949 -3.982 113.380 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -246.421 -5.464 112.573 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -247.318 -6.313 114.778 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -246.956 -4.750 115.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -249.256 -4.885 114.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -248.442 -3.709 113.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -248.793 -5.224 113.189 1.00 0.00 H new ATOM 539 N GLN A 36 -243.126 -7.248 111.642 1.00 0.00 N ATOM 540 CA GLN A 36 -242.304 -6.744 110.562 1.00 0.00 C ATOM 541 C GLN A 36 -242.558 -7.555 109.299 1.00 0.00 C ATOM 542 O GLN A 36 -242.292 -7.111 108.185 1.00 0.00 O ATOM 543 CB GLN A 36 -240.828 -6.833 110.944 1.00 0.00 C ATOM 544 CG GLN A 36 -240.492 -6.201 112.288 1.00 0.00 C ATOM 545 CD GLN A 36 -240.872 -4.736 112.381 1.00 0.00 C ATOM 546 OE1 GLN A 36 -240.818 -4.027 111.267 1.00 0.00 O flip ATOM 547 NE2 GLN A 36 -241.199 -4.242 113.459 1.00 0.00 N flip ATOM 0 H GLN A 36 -242.597 -7.623 112.430 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.561 -5.701 110.377 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.532 -7.882 110.964 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.234 -6.349 110.169 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -241.004 -6.751 113.077 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -239.422 -6.303 112.471 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -241.229 -4.822 114.298 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -241.440 -3.252 113.514 1.00 0.00 H new ATOM 556 N LEU A 37 -243.033 -8.774 109.488 1.00 0.00 N ATOM 557 CA LEU A 37 -243.331 -9.633 108.371 1.00 0.00 C ATOM 558 C LEU A 37 -244.687 -9.393 107.779 1.00 0.00 C ATOM 559 O LEU A 37 -244.851 -9.473 106.564 1.00 0.00 O ATOM 560 CB LEU A 37 -243.201 -11.085 108.747 1.00 0.00 C ATOM 561 CG LEU A 37 -242.277 -11.786 107.804 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.899 -11.809 106.428 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.998 -11.002 107.756 1.00 0.00 C ATOM 0 H LEU A 37 -243.218 -9.184 110.404 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.593 -9.382 107.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.825 -11.171 109.766 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.181 -11.562 108.728 1.00 0.00 H new ATOM 0 HG LEU A 37 -242.091 -12.809 108.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.230 -12.319 105.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.852 -12.337 106.468 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.065 -10.787 106.087 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.299 -11.487 107.075 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.204 -9.991 107.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.561 -10.958 108.754 1.00 0.00 H new ATOM 575 N LEU A 38 -245.664 -9.127 108.610 1.00 0.00 N ATOM 576 CA LEU A 38 -246.962 -8.790 108.103 1.00 0.00 C ATOM 577 C LEU A 38 -246.785 -7.624 107.138 1.00 0.00 C ATOM 578 O LEU A 38 -247.381 -7.592 106.072 1.00 0.00 O ATOM 579 CB LEU A 38 -247.916 -8.478 109.268 1.00 0.00 C ATOM 580 CG LEU A 38 -249.404 -8.399 108.905 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.916 -6.971 108.983 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.639 -8.974 107.515 1.00 0.00 C ATOM 0 H LEU A 38 -245.584 -9.138 109.627 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.416 -9.620 107.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.788 -9.243 110.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.618 -7.529 109.713 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.960 -8.992 109.631 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.974 -6.949 108.720 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.786 -6.593 109.997 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.356 -6.345 108.288 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.699 -8.912 107.270 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.064 -8.406 106.784 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.323 -10.017 107.494 1.00 0.00 H new ATOM 594 N GLN A 39 -245.858 -6.743 107.490 1.00 0.00 N ATOM 595 CA GLN A 39 -245.378 -5.684 106.654 1.00 0.00 C ATOM 596 C GLN A 39 -244.871 -6.187 105.327 1.00 0.00 C ATOM 597 O GLN A 39 -245.269 -5.708 104.274 1.00 0.00 O ATOM 598 CB GLN A 39 -244.184 -5.120 107.360 1.00 0.00 C ATOM 599 CG GLN A 39 -243.690 -3.871 106.729 1.00 0.00 C ATOM 600 CD GLN A 39 -242.504 -3.269 107.451 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.370 -3.403 108.669 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.634 -2.617 106.704 1.00 0.00 N ATOM 0 H GLN A 39 -245.410 -6.759 108.406 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.188 -4.977 106.477 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.441 -4.921 108.400 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.385 -5.861 107.365 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.411 -4.079 105.696 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.499 -3.141 106.700 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.787 -2.532 105.699 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.808 -2.198 107.131 1.00 0.00 H new ATOM 611 N GLN A 40 -243.938 -7.116 105.406 1.00 0.00 N ATOM 612 CA GLN A 40 -243.316 -7.687 104.232 1.00 0.00 C ATOM 613 C GLN A 40 -244.357 -8.261 103.284 1.00 0.00 C ATOM 614 O GLN A 40 -244.187 -8.243 102.070 1.00 0.00 O ATOM 615 CB GLN A 40 -242.300 -8.750 104.652 1.00 0.00 C ATOM 616 CG GLN A 40 -240.924 -8.170 104.897 1.00 0.00 C ATOM 617 CD GLN A 40 -240.461 -7.347 103.716 1.00 0.00 C ATOM 618 OE1 GLN A 40 -241.009 -7.660 102.556 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.657 -6.429 103.852 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.591 -7.495 106.287 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.792 -6.898 103.693 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.649 -9.244 105.559 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.236 -9.514 103.877 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.942 -7.549 105.792 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.214 -8.976 105.083 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -239.263 -6.228 104.771 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.384 -5.867 103.046 1.00 0.00 H new ATOM 628 N ILE A 41 -245.435 -8.730 103.866 1.00 0.00 N ATOM 629 CA ILE A 41 -246.552 -9.304 103.137 1.00 0.00 C ATOM 630 C ILE A 41 -247.471 -8.207 102.596 1.00 0.00 C ATOM 631 O ILE A 41 -248.022 -8.305 101.500 1.00 0.00 O ATOM 632 CB ILE A 41 -247.303 -10.249 104.093 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.607 -11.622 104.131 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.761 -10.403 103.702 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.085 -11.575 104.132 1.00 0.00 C ATOM 0 H ILE A 41 -245.567 -8.725 104.877 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.194 -9.864 102.273 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.278 -9.806 105.089 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.939 -12.156 105.021 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.937 -12.203 103.270 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.256 -11.077 104.401 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.250 -9.429 103.729 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.826 -10.813 102.694 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.690 -12.590 104.160 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.736 -11.074 103.229 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.738 -11.027 105.008 1.00 0.00 H new ATOM 647 N LEU A 42 -247.603 -7.162 103.386 1.00 0.00 N ATOM 648 CA LEU A 42 -248.342 -5.965 103.016 1.00 0.00 C ATOM 649 C LEU A 42 -247.679 -5.241 101.872 1.00 0.00 C ATOM 650 O LEU A 42 -248.314 -4.477 101.155 1.00 0.00 O ATOM 651 CB LEU A 42 -248.348 -5.035 104.193 1.00 0.00 C ATOM 652 CG LEU A 42 -249.290 -5.424 105.302 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.653 -5.074 106.601 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.614 -4.715 105.149 1.00 0.00 C ATOM 0 H LEU A 42 -247.194 -7.116 104.319 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.348 -6.261 102.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.337 -4.977 104.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.610 -4.035 103.847 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.486 -6.495 105.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.320 -5.348 107.419 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.713 -5.616 106.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.460 -4.002 106.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.280 -5.010 105.960 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.456 -3.637 105.183 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.063 -4.986 104.194 1.00 0.00 H new ATOM 666 N THR A 43 -246.378 -5.464 101.770 1.00 0.00 N ATOM 667 CA THR A 43 -245.503 -4.736 100.883 1.00 0.00 C ATOM 668 C THR A 43 -246.019 -4.768 99.440 1.00 0.00 C ATOM 669 O THR A 43 -245.735 -5.682 98.667 1.00 0.00 O ATOM 670 CB THR A 43 -244.079 -5.326 100.984 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.538 -5.043 102.281 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.139 -4.786 99.922 1.00 0.00 C ATOM 0 H THR A 43 -245.895 -6.176 102.319 1.00 0.00 H new ATOM 0 HA THR A 43 -245.479 -3.689 101.185 1.00 0.00 H new ATOM 0 HB THR A 43 -244.165 -6.401 100.824 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.155 -5.366 102.970 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.154 -5.237 100.044 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.529 -5.029 98.934 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.058 -3.704 100.024 1.00 0.00 H new ATOM 823 N THR A 53 -253.536 -3.209 108.644 1.00 0.00 N ATOM 824 CA THR A 53 -254.894 -3.320 109.142 1.00 0.00 C ATOM 825 C THR A 53 -255.026 -4.406 110.216 1.00 0.00 C ATOM 826 O THR A 53 -254.113 -4.645 111.005 1.00 0.00 O ATOM 827 CB THR A 53 -255.835 -3.638 107.958 1.00 0.00 C ATOM 828 OG1 THR A 53 -255.294 -3.069 106.755 1.00 0.00 O ATOM 829 CG2 THR A 53 -257.242 -3.085 108.177 1.00 0.00 C ATOM 0 HA THR A 53 -255.167 -2.372 109.605 1.00 0.00 H new ATOM 0 HB THR A 53 -255.907 -4.723 107.877 1.00 0.00 H new ATOM 0 HG1 THR A 53 -254.965 -3.786 106.173 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.868 -3.333 107.320 1.00 0.00 H new ATOM 0 HG22 THR A 53 -257.670 -3.525 109.078 1.00 0.00 H new ATOM 0 HG23 THR A 53 -257.194 -2.002 108.290 1.00 0.00 H new ATOM 837 N ASP A 54 -256.169 -5.068 110.199 1.00 0.00 N ATOM 838 CA ASP A 54 -256.556 -6.062 111.190 1.00 0.00 C ATOM 839 C ASP A 54 -255.930 -7.406 110.883 1.00 0.00 C ATOM 840 O ASP A 54 -256.301 -8.437 111.446 1.00 0.00 O ATOM 841 CB ASP A 54 -258.057 -6.202 111.132 1.00 0.00 C ATOM 842 CG ASP A 54 -258.786 -5.015 111.719 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.928 -4.946 112.959 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.229 -4.142 110.943 1.00 0.00 O ATOM 0 H ASP A 54 -256.875 -4.927 109.476 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.218 -5.743 112.176 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.364 -6.333 110.094 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.353 -7.104 111.668 1.00 0.00 H new ATOM 849 N TYR A 55 -255.014 -7.372 109.953 1.00 0.00 N ATOM 850 CA TYR A 55 -254.346 -8.564 109.458 1.00 0.00 C ATOM 851 C TYR A 55 -253.436 -9.205 110.489 1.00 0.00 C ATOM 852 O TYR A 55 -252.826 -8.528 111.318 1.00 0.00 O ATOM 853 CB TYR A 55 -253.511 -8.224 108.239 1.00 0.00 C ATOM 854 CG TYR A 55 -254.289 -7.560 107.145 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.544 -8.019 106.804 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.773 -6.466 106.470 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.275 -7.415 105.812 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.492 -5.846 105.474 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.748 -6.322 105.146 1.00 0.00 C ATOM 860 OH TYR A 55 -256.480 -5.708 104.155 1.00 0.00 O ATOM 0 H TYR A 55 -254.701 -6.510 109.507 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.135 -9.274 109.211 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.693 -7.570 108.540 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.061 -9.138 107.851 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.959 -8.868 107.327 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -252.793 -6.094 106.729 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.254 -7.790 105.553 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.079 -4.995 104.953 1.00 0.00 H new ATOM 0 HH TYR A 55 -255.969 -4.957 103.788 1.00 0.00 H new ATOM 870 N PHE A 56 -253.355 -10.516 110.407 1.00 0.00 N ATOM 871 CA PHE A 56 -252.369 -11.287 111.139 1.00 0.00 C ATOM 872 C PHE A 56 -252.098 -12.581 110.387 1.00 0.00 C ATOM 873 O PHE A 56 -252.708 -12.840 109.361 1.00 0.00 O ATOM 874 CB PHE A 56 -252.822 -11.564 112.578 1.00 0.00 C ATOM 875 CG PHE A 56 -254.156 -12.244 112.699 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.259 -13.623 112.635 1.00 0.00 C ATOM 877 CD2 PHE A 56 -255.308 -11.501 112.895 1.00 0.00 C ATOM 878 CE1 PHE A 56 -255.486 -14.246 112.757 1.00 0.00 C ATOM 879 CE2 PHE A 56 -256.535 -12.119 113.020 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.625 -13.492 112.952 1.00 0.00 C ATOM 0 H PHE A 56 -253.975 -11.082 109.827 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.447 -10.709 111.210 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -252.069 -12.182 113.068 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.861 -10.619 113.120 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -253.370 -14.219 112.488 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -255.245 -10.424 112.951 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -255.554 -15.322 112.700 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -257.425 -11.526 113.171 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.585 -13.977 113.051 1.00 0.00 H new ATOM 890 N LEU A 57 -251.180 -13.375 110.887 1.00 0.00 N ATOM 891 CA LEU A 57 -250.805 -14.627 110.239 1.00 0.00 C ATOM 892 C LEU A 57 -251.426 -15.746 111.028 1.00 0.00 C ATOM 893 O LEU A 57 -251.964 -15.491 112.088 1.00 0.00 O ATOM 894 CB LEU A 57 -249.277 -14.823 110.202 1.00 0.00 C ATOM 895 CG LEU A 57 -248.470 -13.778 109.427 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.721 -12.410 110.005 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.983 -14.106 109.460 1.00 0.00 C ATOM 0 H LEU A 57 -250.670 -13.180 111.749 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.156 -14.613 109.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.911 -14.843 111.229 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.070 -15.802 109.770 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.793 -13.790 108.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.145 -11.669 109.450 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.782 -12.173 109.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.418 -12.396 111.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.431 -13.349 108.903 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.636 -14.120 110.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.816 -15.084 109.008 1.00 0.00 H new ATOM 909 N MET A 58 -251.410 -16.957 110.506 1.00 0.00 N ATOM 910 CA MET A 58 -251.804 -18.123 111.290 1.00 0.00 C ATOM 911 C MET A 58 -251.119 -19.364 110.748 1.00 0.00 C ATOM 912 O MET A 58 -250.785 -19.424 109.564 1.00 0.00 O ATOM 913 CB MET A 58 -253.317 -18.362 111.262 1.00 0.00 C ATOM 914 CG MET A 58 -254.182 -17.196 111.720 1.00 0.00 C ATOM 915 SD MET A 58 -255.902 -17.675 111.945 1.00 0.00 S ATOM 916 CE MET A 58 -255.912 -19.141 110.929 1.00 0.00 C ATOM 0 H MET A 58 -251.131 -17.164 109.547 1.00 0.00 H new ATOM 0 HA MET A 58 -251.504 -17.926 112.319 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.605 -18.625 110.244 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.541 -19.224 111.890 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.791 -16.801 112.658 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.123 -16.392 110.987 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.916 -19.566 110.914 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.612 -18.882 109.914 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.215 -19.872 111.338 1.00 0.00 H new ATOM 926 N GLU A 59 -250.899 -20.338 111.618 1.00 0.00 N ATOM 927 CA GLU A 59 -250.390 -21.633 111.214 1.00 0.00 C ATOM 928 C GLU A 59 -251.534 -22.620 111.020 1.00 0.00 C ATOM 929 O GLU A 59 -252.157 -23.057 111.992 1.00 0.00 O ATOM 930 CB GLU A 59 -249.438 -22.158 112.280 1.00 0.00 C ATOM 931 CG GLU A 59 -248.055 -22.452 111.754 1.00 0.00 C ATOM 932 CD GLU A 59 -247.737 -23.935 111.758 1.00 0.00 C ATOM 933 OE1 GLU A 59 -248.243 -24.664 110.877 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.002 -24.389 112.657 1.00 0.00 O ATOM 0 H GLU A 59 -251.069 -20.250 112.620 1.00 0.00 H new ATOM 0 HA GLU A 59 -249.860 -21.523 110.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -249.365 -21.426 113.084 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.855 -23.067 112.713 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.966 -22.067 110.738 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -247.319 -21.924 112.360 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.828 -21.892 115.441 1.00 0.00 N ATOM 1263 CA ARG A 78 -253.162 -20.857 116.213 1.00 0.00 C ATOM 1264 C ARG A 78 -252.888 -19.652 115.333 1.00 0.00 C ATOM 1265 O ARG A 78 -252.285 -19.773 114.261 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.857 -21.367 116.833 1.00 0.00 C ATOM 1267 CG ARG A 78 -251.097 -20.285 117.588 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.867 -20.832 118.291 1.00 0.00 C ATOM 1269 NE ARG A 78 -250.213 -21.702 119.415 1.00 0.00 N ATOM 1270 CZ ARG A 78 -249.508 -21.779 120.541 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -248.446 -21.001 120.724 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -249.884 -22.616 121.499 1.00 0.00 N ATOM 0 HA ARG A 78 -253.824 -20.567 117.029 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -252.081 -22.189 117.513 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -251.220 -21.770 116.046 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -250.797 -19.501 116.892 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -251.758 -19.824 118.322 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -249.260 -21.388 117.577 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.257 -20.003 118.650 1.00 0.00 H new ATOM 0 HE ARG A 78 -251.046 -22.285 119.330 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -248.167 -20.340 119.999 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -247.910 -21.065 121.589 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -250.712 -23.198 121.371 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -249.346 -22.677 122.363 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.348 -18.501 115.781 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.143 -17.268 115.054 1.00 0.00 C ATOM 1288 C ALA A 79 -251.790 -16.662 115.447 1.00 0.00 C ATOM 1289 O ALA A 79 -251.433 -16.635 116.625 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.271 -16.288 115.349 1.00 0.00 C ATOM 0 H ALA A 79 -253.870 -18.396 116.651 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.143 -17.477 113.984 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.104 -15.364 114.795 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.222 -16.726 115.046 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.295 -16.072 116.417 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.050 -16.196 114.462 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.745 -15.587 114.675 1.00 0.00 C ATOM 1298 C ILE A 80 -249.855 -14.149 115.150 1.00 0.00 C ATOM 1299 O ILE A 80 -250.461 -13.304 114.485 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.884 -15.628 113.411 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.625 -17.076 113.003 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.571 -14.901 113.649 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.513 -17.207 111.997 1.00 0.00 C ATOM 0 H ILE A 80 -251.335 -16.227 113.483 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.265 -16.180 115.454 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.416 -15.127 112.602 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -248.378 -17.660 113.889 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -249.538 -17.500 112.586 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -246.966 -14.936 112.743 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.772 -13.862 113.910 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.031 -15.382 114.465 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.373 -18.258 111.744 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -247.769 -16.648 111.097 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -246.590 -16.810 112.421 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.268 -13.886 116.307 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.167 -12.533 116.796 1.00 0.00 C ATOM 1317 C GLY A 81 -247.740 -12.031 116.689 1.00 0.00 C ATOM 1318 O GLY A 81 -246.844 -12.814 116.382 1.00 0.00 O ATOM 0 H GLY A 81 -248.858 -14.593 116.918 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.830 -11.884 116.224 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.496 -12.490 117.834 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.492 -10.736 116.934 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.152 -10.158 116.889 1.00 0.00 C ATOM 1324 C PRO A 82 -245.185 -10.853 117.837 1.00 0.00 C ATOM 1325 O PRO A 82 -243.979 -10.899 117.592 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.370 -8.707 117.309 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.786 -8.442 116.960 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.489 -9.726 117.266 1.00 0.00 C ATOM 0 HA PRO A 82 -245.700 -10.262 115.903 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.189 -8.568 118.375 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.696 -8.033 116.781 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.192 -7.617 117.545 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.893 -8.171 115.910 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.787 -9.783 118.313 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.394 -9.842 116.670 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.738 -11.387 118.922 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.975 -12.147 119.899 1.00 0.00 C ATOM 1338 C GLU A 83 -244.313 -13.358 119.249 1.00 0.00 C ATOM 1339 O GLU A 83 -243.101 -13.560 119.357 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.898 -12.632 121.014 1.00 0.00 C ATOM 1341 CG GLU A 83 -246.622 -11.523 121.754 1.00 0.00 C ATOM 1342 CD GLU A 83 -247.622 -12.070 122.749 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -247.215 -12.425 123.872 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -248.818 -12.166 122.402 1.00 0.00 O ATOM 0 H GLU A 83 -246.730 -11.303 119.146 1.00 0.00 H new ATOM 0 HA GLU A 83 -244.204 -11.494 120.307 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.637 -13.311 120.588 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -245.312 -13.208 121.730 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -245.896 -10.899 122.275 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -247.136 -10.883 121.037 1.00 0.00 H new ATOM 1351 N GLU A 84 -245.122 -14.157 118.566 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.652 -15.397 117.976 1.00 0.00 C ATOM 1353 C GLU A 84 -244.003 -15.137 116.626 1.00 0.00 C ATOM 1354 O GLU A 84 -244.672 -14.829 115.641 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.801 -16.391 117.849 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.426 -16.716 119.191 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.512 -17.762 119.106 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.658 -17.408 118.771 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.225 -18.945 119.394 1.00 0.00 O ATOM 0 H GLU A 84 -246.111 -13.964 118.408 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.897 -15.830 118.632 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.562 -15.981 117.185 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.436 -17.309 117.388 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.649 -17.064 119.871 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.842 -15.805 119.621 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.687 -15.249 116.597 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.924 -14.968 115.400 1.00 0.00 C ATOM 1368 C GLU A 85 -241.933 -16.179 114.471 1.00 0.00 C ATOM 1369 O GLU A 85 -241.742 -17.314 114.906 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.506 -14.565 115.790 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.483 -13.391 116.755 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.087 -12.870 117.026 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.596 -12.037 116.233 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.487 -13.277 118.040 1.00 0.00 O ATOM 0 H GLU A 85 -242.123 -15.535 117.397 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.378 -14.139 114.857 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.001 -15.417 116.246 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.945 -14.305 114.892 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.093 -12.584 116.350 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.940 -13.694 117.697 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.163 -15.938 113.189 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.374 -17.022 112.238 1.00 0.00 C ATOM 1383 C ILE A 86 -241.152 -17.921 112.117 1.00 0.00 C ATOM 1384 O ILE A 86 -241.280 -19.102 111.807 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.799 -16.515 110.840 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.654 -15.801 110.099 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.996 -15.593 110.986 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.355 -14.401 110.594 1.00 0.00 C ATOM 0 H ILE A 86 -242.208 -15.004 112.783 1.00 0.00 H new ATOM 0 HA ILE A 86 -243.197 -17.610 112.643 1.00 0.00 H new ATOM 0 HB ILE A 86 -243.067 -17.381 110.235 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -240.750 -16.404 110.188 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -241.901 -15.752 109.038 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.300 -15.233 110.003 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.821 -16.138 111.444 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.727 -14.745 111.616 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -240.535 -13.977 110.014 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.241 -13.777 110.479 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -241.073 -14.440 111.646 1.00 0.00 H new ATOM 1400 N MET A 87 -239.976 -17.384 112.398 1.00 0.00 N ATOM 1401 CA MET A 87 -238.765 -18.185 112.354 1.00 0.00 C ATOM 1402 C MET A 87 -238.727 -19.163 113.520 1.00 0.00 C ATOM 1403 O MET A 87 -238.109 -20.221 113.422 1.00 0.00 O ATOM 1404 CB MET A 87 -237.515 -17.303 112.351 1.00 0.00 C ATOM 1405 CG MET A 87 -237.351 -16.503 111.070 1.00 0.00 C ATOM 1406 SD MET A 87 -237.262 -17.552 109.604 1.00 0.00 S ATOM 1407 CE MET A 87 -237.293 -16.321 108.306 1.00 0.00 C ATOM 0 H MET A 87 -239.835 -16.407 112.656 1.00 0.00 H new ATOM 0 HA MET A 87 -238.775 -18.753 111.424 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.560 -16.617 113.197 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.635 -17.930 112.495 1.00 0.00 H new ATOM 0 HG2 MET A 87 -238.188 -15.812 110.968 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.446 -15.900 111.136 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.459 -16.809 107.346 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.098 -15.612 108.496 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.341 -15.791 108.284 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.429 -18.835 114.607 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.480 -19.714 115.761 1.00 0.00 C ATOM 1419 C GLN A 88 -240.451 -20.835 115.458 1.00 0.00 C ATOM 1420 O GLN A 88 -240.345 -21.948 115.970 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.893 -18.954 117.008 1.00 0.00 C ATOM 1422 CG GLN A 88 -241.356 -19.023 117.224 1.00 0.00 C ATOM 1423 CD GLN A 88 -241.814 -18.457 118.555 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -241.213 -17.522 119.087 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -242.876 -19.020 119.102 1.00 0.00 N ATOM 0 H GLN A 88 -239.964 -17.972 114.705 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.490 -20.126 115.957 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -239.376 -19.366 117.875 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.586 -17.912 116.919 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -241.857 -18.483 116.420 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -241.674 -20.063 117.155 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -243.345 -19.792 118.628 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -243.228 -18.683 119.998 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.393 -20.513 114.594 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.372 -21.462 114.126 1.00 0.00 C ATOM 1436 C ILE A 89 -241.730 -22.457 113.167 1.00 0.00 C ATOM 1437 O ILE A 89 -241.921 -23.669 113.272 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.509 -20.735 113.414 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -244.030 -19.610 114.306 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.619 -21.710 113.090 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.575 -20.082 115.638 1.00 0.00 C ATOM 0 H ILE A 89 -241.498 -19.579 114.197 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.769 -22.000 114.987 1.00 0.00 H new ATOM 0 HB ILE A 89 -243.141 -20.306 112.482 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.223 -18.900 114.486 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.815 -19.072 113.774 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.428 -21.185 112.582 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.234 -22.497 112.442 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.996 -22.151 114.012 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.925 -19.224 116.212 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -245.405 -20.768 115.469 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.788 -20.593 116.192 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.946 -21.917 112.245 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.282 -22.702 111.216 1.00 0.00 C ATOM 1455 C LEU A 90 -239.127 -23.525 111.784 1.00 0.00 C ATOM 1456 O LEU A 90 -238.704 -24.497 111.170 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.777 -21.770 110.113 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.868 -20.974 109.392 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.284 -19.729 108.758 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.557 -21.824 108.338 1.00 0.00 C ATOM 0 H LEU A 90 -240.752 -20.917 112.190 1.00 0.00 H new ATOM 0 HA LEU A 90 -241.007 -23.404 110.804 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.064 -21.070 110.548 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.234 -22.363 109.377 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.612 -20.677 110.132 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.073 -19.175 108.250 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.840 -19.101 109.531 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.518 -20.013 108.037 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.327 -21.234 107.841 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.824 -22.157 107.603 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -242.014 -22.692 108.813 1.00 0.00 H new ATOM 1472 N SER A 91 -238.625 -23.130 112.957 1.00 0.00 N ATOM 1473 CA SER A 91 -237.477 -23.797 113.590 1.00 0.00 C ATOM 1474 C SER A 91 -237.617 -25.324 113.649 1.00 0.00 C ATOM 1475 O SER A 91 -236.619 -26.045 113.580 1.00 0.00 O ATOM 1476 CB SER A 91 -237.266 -23.257 115.006 1.00 0.00 C ATOM 1477 OG SER A 91 -236.887 -21.893 114.989 1.00 0.00 O ATOM 0 H SER A 91 -238.997 -22.346 113.493 1.00 0.00 H new ATOM 0 HA SER A 91 -236.614 -23.575 112.962 1.00 0.00 H new ATOM 0 HB2 SER A 91 -238.184 -23.374 115.582 1.00 0.00 H new ATOM 0 HB3 SER A 91 -236.497 -23.843 115.510 1.00 0.00 H new ATOM 0 HG SER A 91 -237.465 -21.401 114.370 1.00 0.00 H new ATOM 1658 N ILE A 103 -248.356 -20.452 106.348 1.00 0.00 N ATOM 1659 CA ILE A 103 -248.929 -19.250 106.930 1.00 0.00 C ATOM 1660 C ILE A 103 -250.148 -18.786 106.146 1.00 0.00 C ATOM 1661 O ILE A 103 -250.124 -18.724 104.914 1.00 0.00 O ATOM 1662 CB ILE A 103 -247.898 -18.104 106.976 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -246.725 -18.483 107.885 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.549 -16.812 107.445 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -245.730 -17.363 108.094 1.00 0.00 C ATOM 0 HA ILE A 103 -249.229 -19.503 107.947 1.00 0.00 H new ATOM 0 HB ILE A 103 -247.516 -17.941 105.968 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.114 -18.796 108.854 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -246.208 -19.341 107.456 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.804 -16.017 107.470 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.349 -16.537 106.758 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -248.961 -16.954 108.444 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -244.928 -17.706 108.748 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.312 -17.064 107.133 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.232 -16.511 108.552 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.203 -18.449 106.865 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.388 -17.892 106.278 1.00 0.00 C ATOM 1679 C VAL A 104 -252.583 -16.483 106.798 1.00 0.00 C ATOM 1680 O VAL A 104 -252.793 -16.268 107.991 1.00 0.00 O ATOM 1681 CB VAL A 104 -253.637 -18.744 106.582 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -253.612 -20.041 105.795 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -253.758 -19.021 108.059 1.00 0.00 C ATOM 0 H VAL A 104 -251.253 -18.558 107.878 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.259 -17.880 105.196 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.513 -18.174 106.272 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -254.503 -20.624 106.027 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -253.591 -19.819 104.728 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -252.724 -20.613 106.064 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -254.647 -19.623 108.245 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -252.876 -19.562 108.401 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.839 -18.078 108.601 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.430 -15.524 105.918 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.744 -14.158 106.251 1.00 0.00 C ATOM 1695 C LEU A 105 -254.238 -14.053 106.483 1.00 0.00 C ATOM 1696 O LEU A 105 -255.032 -14.194 105.554 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.375 -13.224 105.119 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.243 -11.780 105.547 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.076 -11.664 106.505 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -252.073 -10.872 104.337 1.00 0.00 C ATOM 0 H LEU A 105 -252.090 -15.665 104.967 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.180 -13.876 107.140 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.433 -13.552 104.680 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.132 -13.295 104.338 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.151 -11.458 106.056 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.968 -10.627 106.823 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.256 -12.294 107.376 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.162 -11.988 106.006 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.980 -9.838 104.668 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -251.176 -11.160 103.789 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.942 -10.967 103.686 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.609 -13.837 107.708 1.00 0.00 N ATOM 1713 CA LYS A 106 -255.997 -13.711 108.062 1.00 0.00 C ATOM 1714 C LYS A 106 -256.306 -12.263 108.401 1.00 0.00 C ATOM 1715 O LYS A 106 -255.404 -11.424 108.463 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.340 -14.605 109.247 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.278 -16.089 108.932 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.184 -16.455 107.765 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.277 -17.963 107.578 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.135 -18.336 106.420 1.00 0.00 N ATOM 0 H LYS A 106 -253.963 -13.743 108.492 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.602 -14.025 107.211 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.653 -14.388 110.065 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.342 -14.359 109.598 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.251 -16.369 108.697 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.570 -16.661 109.813 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.180 -16.047 107.935 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -256.804 -15.997 106.852 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.277 -18.371 107.433 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.678 -18.416 108.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.168 -19.372 106.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.097 -17.970 106.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -257.740 -17.927 105.549 1.00 0.00 H new ATOM 1734 N THR A 107 -257.565 -11.973 108.635 1.00 0.00 N ATOM 1735 CA THR A 107 -257.969 -10.675 109.063 1.00 0.00 C ATOM 1736 C THR A 107 -258.552 -10.833 110.456 1.00 0.00 C ATOM 1737 O THR A 107 -258.807 -11.952 110.912 1.00 0.00 O ATOM 1738 CB THR A 107 -259.025 -10.050 108.120 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.243 -10.806 108.161 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.515 -9.999 106.686 1.00 0.00 C ATOM 0 H THR A 107 -258.331 -12.639 108.531 1.00 0.00 H new ATOM 0 HA THR A 107 -257.110 -10.004 109.054 1.00 0.00 H new ATOM 0 HB THR A 107 -259.215 -9.033 108.464 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.902 -10.398 107.561 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.277 -9.556 106.045 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.608 -9.395 106.644 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.295 -11.010 106.342 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.762 -9.731 111.109 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.370 -9.690 112.430 1.00 0.00 C ATOM 1750 C GLN A 108 -260.877 -9.835 112.283 1.00 0.00 C ATOM 1751 O GLN A 108 -261.653 -9.000 112.742 1.00 0.00 O ATOM 1752 CB GLN A 108 -259.006 -8.375 113.115 1.00 0.00 C ATOM 1753 CG GLN A 108 -259.324 -8.305 114.591 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.573 -9.333 115.413 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -257.360 -9.661 114.995 1.00 0.00 O flip ATOM 1756 NE2 GLN A 108 -259.077 -9.820 116.425 1.00 0.00 N flip ATOM 0 H GLN A 108 -258.516 -8.811 110.743 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.999 -10.509 113.047 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.939 -8.198 112.981 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.529 -7.564 112.609 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -259.084 -7.308 114.961 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -260.395 -8.448 114.732 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -260.015 -9.540 116.713 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -258.557 -10.503 116.976 1.00 0.00 H new