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 Single : A 9 THR OG1 : rot 39:sc= 0.672 USER MOD Single : A 10 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.0077) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00325 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 32 THR OG1 : rot 75:sc= -2.75! USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 2.13 (180deg=1.57) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.17) USER MOD Single : A 36 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.7!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0145 F(o=-0.67!,f=-0.014) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.65! C(o=-4.3!,f=-1.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -167:sc= -2.46 (180deg=-3.56!) USER MOD Single : A 87 MET CE :methyl -139:sc= -0.274 (180deg=-2.12!) USER MOD Single : A 88 GLN : amide:sc= 0.169 K(o=0.17,f=-3.7!) USER MOD Single : A 91 SER OG : rot 101:sc= 1.29 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= -0.478 F(o=-1.3!,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -232.205 -12.996 104.116 1.00 0.00 N ATOM 134 CA THR A 9 -233.420 -12.675 103.384 1.00 0.00 C ATOM 135 C THR A 9 -234.083 -13.948 102.870 1.00 0.00 C ATOM 136 O THR A 9 -233.732 -14.464 101.811 1.00 0.00 O ATOM 137 CB THR A 9 -233.139 -11.711 102.211 1.00 0.00 C ATOM 138 OG1 THR A 9 -232.178 -12.277 101.311 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.626 -10.369 102.720 1.00 0.00 C ATOM 0 HA THR A 9 -234.098 -12.173 104.075 1.00 0.00 H new ATOM 0 HB THR A 9 -234.078 -11.553 101.681 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.350 -13.236 101.210 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.436 -9.708 101.875 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.373 -9.918 103.373 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.702 -10.521 103.277 1.00 0.00 H new ATOM 147 N HIS A 10 -235.013 -14.478 103.651 1.00 0.00 N ATOM 148 CA HIS A 10 -235.703 -15.709 103.284 1.00 0.00 C ATOM 149 C HIS A 10 -237.154 -15.413 102.952 1.00 0.00 C ATOM 150 O HIS A 10 -237.789 -14.596 103.602 1.00 0.00 O ATOM 151 CB HIS A 10 -235.618 -16.744 104.416 1.00 0.00 C ATOM 152 CG HIS A 10 -234.217 -17.187 104.731 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.826 -18.505 104.777 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.107 -16.466 105.003 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.539 -18.571 105.064 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.074 -17.343 105.203 1.00 0.00 N ATOM 0 H HIS A 10 -235.308 -14.077 104.541 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.214 -16.127 102.404 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.066 -16.322 105.316 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.212 -17.616 104.143 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.045 -15.389 105.054 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.963 -19.478 105.168 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.110 -17.091 105.422 1.00 0.00 H new ATOM 165 N ARG A 11 -237.665 -16.049 101.922 1.00 0.00 N ATOM 166 CA ARG A 11 -239.016 -15.831 101.496 1.00 0.00 C ATOM 167 C ARG A 11 -239.968 -16.777 102.218 1.00 0.00 C ATOM 168 O ARG A 11 -239.595 -17.898 102.573 1.00 0.00 O ATOM 169 CB ARG A 11 -239.094 -16.015 100.000 1.00 0.00 C ATOM 170 CG ARG A 11 -239.986 -14.992 99.369 1.00 0.00 C ATOM 171 CD ARG A 11 -239.655 -14.811 97.908 1.00 0.00 C ATOM 172 NE ARG A 11 -240.723 -14.141 97.161 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.717 -13.986 95.837 1.00 0.00 C ATOM 174 NH1 ARG A 11 -239.655 -14.350 95.128 1.00 0.00 N ATOM 175 NH2 ARG A 11 -241.761 -13.435 95.226 1.00 0.00 N ATOM 0 H ARG A 11 -237.152 -16.729 101.362 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.319 -14.814 101.746 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -238.095 -15.943 99.571 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.467 -17.014 99.774 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -241.027 -15.298 99.474 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.879 -14.041 99.890 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -238.736 -14.231 97.818 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -239.462 -15.786 97.461 1.00 0.00 H new ATOM 0 HE ARG A 11 -241.517 -13.772 97.684 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -238.842 -14.749 95.596 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -239.653 -14.230 94.115 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -242.568 -13.130 95.770 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -241.755 -13.317 94.213 1.00 0.00 H new ATOM 189 N VAL A 12 -241.185 -16.314 102.441 1.00 0.00 N ATOM 190 CA VAL A 12 -242.186 -17.089 103.153 1.00 0.00 C ATOM 191 C VAL A 12 -243.527 -16.997 102.423 1.00 0.00 C ATOM 192 O VAL A 12 -244.033 -15.903 102.159 1.00 0.00 O ATOM 193 CB VAL A 12 -242.319 -16.608 104.616 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.487 -15.099 104.675 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.470 -17.310 105.316 1.00 0.00 C ATOM 0 H VAL A 12 -241.506 -15.395 102.136 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.871 -18.132 103.177 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.400 -16.866 105.141 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.579 -14.783 105.714 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.618 -14.618 104.225 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.385 -14.811 104.128 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.542 -16.954 106.344 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.401 -17.095 104.791 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.294 -18.386 105.316 1.00 0.00 H new ATOM 205 N THR A 13 -244.068 -18.146 102.052 1.00 0.00 N ATOM 206 CA THR A 13 -245.267 -18.195 101.231 1.00 0.00 C ATOM 207 C THR A 13 -246.499 -17.824 102.062 1.00 0.00 C ATOM 208 O THR A 13 -246.739 -18.408 103.119 1.00 0.00 O ATOM 209 CB THR A 13 -245.478 -19.612 100.662 1.00 0.00 C ATOM 210 OG1 THR A 13 -244.276 -20.073 100.036 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.622 -19.629 99.654 1.00 0.00 C ATOM 0 H THR A 13 -243.694 -19.060 102.307 1.00 0.00 H new ATOM 0 HA THR A 13 -245.138 -17.484 100.415 1.00 0.00 H new ATOM 0 HB THR A 13 -245.734 -20.276 101.488 1.00 0.00 H new ATOM 0 HG1 THR A 13 -244.418 -20.974 99.679 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.751 -20.640 99.267 1.00 0.00 H new ATOM 0 HG22 THR A 13 -247.542 -19.307 100.142 1.00 0.00 H new ATOM 0 HG23 THR A 13 -246.392 -18.952 98.831 1.00 0.00 H new ATOM 219 N VAL A 14 -247.273 -16.866 101.589 1.00 0.00 N ATOM 220 CA VAL A 14 -248.461 -16.424 102.301 1.00 0.00 C ATOM 221 C VAL A 14 -249.728 -16.904 101.595 1.00 0.00 C ATOM 222 O VAL A 14 -249.927 -16.639 100.414 1.00 0.00 O ATOM 223 CB VAL A 14 -248.464 -14.887 102.431 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.748 -14.369 103.056 1.00 0.00 C ATOM 225 CG2 VAL A 14 -247.264 -14.437 103.238 1.00 0.00 C ATOM 0 H VAL A 14 -247.101 -16.376 100.711 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.445 -16.860 103.300 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.404 -14.468 101.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.705 -13.282 103.128 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.597 -14.659 102.437 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.865 -14.794 104.053 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.272 -13.351 103.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.306 -14.882 104.232 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.349 -14.754 102.737 1.00 0.00 H new ATOM 235 N HIS A 15 -250.571 -17.631 102.327 1.00 0.00 N ATOM 236 CA HIS A 15 -251.814 -18.176 101.775 1.00 0.00 C ATOM 237 C HIS A 15 -253.002 -17.259 102.038 1.00 0.00 C ATOM 238 O HIS A 15 -254.095 -17.499 101.539 1.00 0.00 O ATOM 239 CB HIS A 15 -252.115 -19.553 102.378 1.00 0.00 C ATOM 240 CG HIS A 15 -251.440 -20.695 101.684 1.00 0.00 C ATOM 241 ND1 HIS A 15 -252.132 -21.753 101.137 1.00 0.00 N ATOM 242 CD2 HIS A 15 -250.128 -20.954 101.465 1.00 0.00 C ATOM 243 CE1 HIS A 15 -251.279 -22.613 100.614 1.00 0.00 C ATOM 244 NE2 HIS A 15 -250.055 -22.153 100.800 1.00 0.00 N ATOM 0 H HIS A 15 -250.416 -17.858 103.309 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.668 -18.262 100.698 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.813 -19.551 103.425 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -253.192 -19.717 102.357 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -249.295 -20.333 101.759 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.538 -23.537 100.118 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -249.196 -22.613 100.499 1.00 0.00 H new ATOM 253 N GLY A 16 -252.797 -16.218 102.831 1.00 0.00 N ATOM 254 CA GLY A 16 -253.907 -15.332 103.163 1.00 0.00 C ATOM 255 C GLY A 16 -253.686 -13.909 102.689 1.00 0.00 C ATOM 256 O GLY A 16 -254.177 -12.964 103.302 1.00 0.00 O ATOM 0 H GLY A 16 -251.900 -15.969 103.247 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.822 -15.721 102.716 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -254.055 -15.331 104.243 1.00 0.00 H new ATOM 260 N VAL A 17 -252.961 -13.763 101.591 1.00 0.00 N ATOM 261 CA VAL A 17 -252.552 -12.458 101.095 1.00 0.00 C ATOM 262 C VAL A 17 -253.747 -11.536 100.826 1.00 0.00 C ATOM 263 O VAL A 17 -254.875 -11.994 100.638 1.00 0.00 O ATOM 264 CB VAL A 17 -251.714 -12.600 99.811 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.633 -13.644 99.992 1.00 0.00 C ATOM 266 CG2 VAL A 17 -252.583 -12.931 98.606 1.00 0.00 C ATOM 0 H VAL A 17 -252.640 -14.544 101.019 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.946 -12.003 101.879 1.00 0.00 H new ATOM 0 HB VAL A 17 -251.240 -11.637 99.620 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -250.052 -13.729 99.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.976 -13.350 100.811 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -251.091 -14.606 100.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.956 -13.023 97.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -253.105 -13.872 98.781 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -253.312 -12.135 98.453 1.00 0.00 H new ATOM 326 N PRO A 22 -254.055 -16.636 95.514 1.00 0.00 N ATOM 327 CA PRO A 22 -254.373 -17.605 96.548 1.00 0.00 C ATOM 328 C PRO A 22 -253.238 -17.694 97.529 1.00 0.00 C ATOM 329 O PRO A 22 -253.414 -17.852 98.737 1.00 0.00 O ATOM 330 CB PRO A 22 -254.502 -18.923 95.782 1.00 0.00 C ATOM 331 CG PRO A 22 -254.234 -18.593 94.350 1.00 0.00 C ATOM 332 CD PRO A 22 -253.538 -17.286 94.309 1.00 0.00 C ATOM 0 HA PRO A 22 -255.270 -17.349 97.112 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.791 -19.661 96.152 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -255.497 -19.350 95.905 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -253.621 -19.367 93.888 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -255.167 -18.547 93.788 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -252.454 -17.398 94.338 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -253.776 -16.724 93.406 1.00 0.00 H new ATOM 340 N PHE A 23 -252.066 -17.578 96.964 1.00 0.00 N ATOM 341 CA PHE A 23 -250.834 -17.607 97.727 1.00 0.00 C ATOM 342 C PHE A 23 -249.723 -16.882 96.980 1.00 0.00 C ATOM 343 O PHE A 23 -249.565 -17.047 95.768 1.00 0.00 O ATOM 344 CB PHE A 23 -250.420 -19.056 98.046 1.00 0.00 C ATOM 345 CG PHE A 23 -250.015 -19.877 96.848 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.969 -20.421 96.002 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.677 -20.111 96.577 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.593 -21.180 94.908 1.00 0.00 C ATOM 349 CE2 PHE A 23 -248.295 -20.868 95.486 1.00 0.00 C ATOM 350 CZ PHE A 23 -249.256 -21.402 94.650 1.00 0.00 C ATOM 0 H PHE A 23 -251.932 -17.460 95.960 1.00 0.00 H new ATOM 0 HA PHE A 23 -251.007 -17.089 98.670 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -249.589 -19.035 98.752 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -251.250 -19.554 98.546 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -252.017 -20.250 96.199 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.922 -19.696 97.228 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -251.346 -21.598 94.256 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -247.248 -21.042 95.287 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.961 -21.993 93.795 1.00 0.00 H new ATOM 360 N THR A 24 -248.987 -16.058 97.704 1.00 0.00 N ATOM 361 CA THR A 24 -247.802 -15.418 97.168 1.00 0.00 C ATOM 362 C THR A 24 -246.772 -15.252 98.284 1.00 0.00 C ATOM 363 O THR A 24 -247.122 -15.079 99.452 1.00 0.00 O ATOM 364 CB THR A 24 -248.110 -14.066 96.474 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.918 -13.518 95.898 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.706 -13.057 97.434 1.00 0.00 C ATOM 0 H THR A 24 -249.193 -15.816 98.673 1.00 0.00 H new ATOM 0 HA THR A 24 -247.394 -16.062 96.389 1.00 0.00 H new ATOM 0 HB THR A 24 -248.843 -14.269 95.693 1.00 0.00 H new ATOM 0 HG1 THR A 24 -247.127 -12.666 95.462 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.906 -12.125 96.905 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.637 -13.449 97.842 1.00 0.00 H new ATOM 0 HG23 THR A 24 -248.004 -12.870 98.247 1.00 0.00 H new ATOM 374 N VAL A 25 -245.512 -15.350 97.912 1.00 0.00 N ATOM 375 CA VAL A 25 -244.409 -15.452 98.861 1.00 0.00 C ATOM 376 C VAL A 25 -243.621 -14.135 98.917 1.00 0.00 C ATOM 377 O VAL A 25 -243.282 -13.578 97.874 1.00 0.00 O ATOM 378 CB VAL A 25 -243.476 -16.592 98.398 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.518 -17.031 99.478 1.00 0.00 C ATOM 380 CG2 VAL A 25 -244.275 -17.774 97.867 1.00 0.00 C ATOM 0 H VAL A 25 -245.217 -15.362 96.936 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.802 -15.658 99.856 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.873 -16.190 97.584 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.886 -17.834 99.099 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.894 -16.188 99.776 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -243.081 -17.388 100.340 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.592 -18.561 97.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.927 -18.155 98.653 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.879 -17.453 97.019 1.00 0.00 H new ATOM 390 N PHE A 26 -243.329 -13.631 100.118 1.00 0.00 N ATOM 391 CA PHE A 26 -242.560 -12.383 100.247 1.00 0.00 C ATOM 392 C PHE A 26 -241.246 -12.620 100.963 1.00 0.00 C ATOM 393 O PHE A 26 -241.162 -13.446 101.873 1.00 0.00 O ATOM 394 CB PHE A 26 -243.351 -11.294 100.975 1.00 0.00 C ATOM 395 CG PHE A 26 -244.669 -10.989 100.318 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.805 -11.726 100.620 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.764 -9.974 99.386 1.00 0.00 C ATOM 398 CE1 PHE A 26 -247.009 -11.448 100.005 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.964 -9.693 98.766 1.00 0.00 C ATOM 400 CZ PHE A 26 -247.088 -10.431 99.076 1.00 0.00 C ATOM 0 H PHE A 26 -243.606 -14.056 101.003 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.357 -12.038 99.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.528 -11.607 102.004 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.753 -10.384 101.017 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.747 -12.525 101.344 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.888 -9.393 99.139 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.888 -12.026 100.251 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -246.024 -8.897 98.039 1.00 0.00 H new ATOM 0 HZ PHE A 26 -248.028 -10.213 98.592 1.00 0.00 H new ATOM 410 N THR A 27 -240.219 -11.904 100.533 1.00 0.00 N ATOM 411 CA THR A 27 -238.883 -12.087 101.067 1.00 0.00 C ATOM 412 C THR A 27 -238.668 -11.216 102.293 1.00 0.00 C ATOM 413 O THR A 27 -239.099 -10.071 102.332 1.00 0.00 O ATOM 414 CB THR A 27 -237.813 -11.757 100.013 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.388 -11.823 98.697 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.661 -12.744 100.107 1.00 0.00 C ATOM 0 H THR A 27 -240.289 -11.187 99.811 1.00 0.00 H new ATOM 0 HA THR A 27 -238.787 -13.135 101.350 1.00 0.00 H new ATOM 0 HB THR A 27 -237.439 -10.750 100.199 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.703 -11.610 98.030 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.910 -12.500 99.356 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.213 -12.687 101.099 1.00 0.00 H new ATOM 0 HG23 THR A 27 -237.032 -13.754 99.934 1.00 0.00 H new ATOM 424 N ILE A 28 -237.998 -11.770 103.285 1.00 0.00 N ATOM 425 CA ILE A 28 -237.778 -11.082 104.545 1.00 0.00 C ATOM 426 C ILE A 28 -236.319 -10.653 104.660 1.00 0.00 C ATOM 427 O ILE A 28 -235.574 -10.761 103.692 1.00 0.00 O ATOM 428 CB ILE A 28 -238.146 -11.997 105.721 1.00 0.00 C ATOM 429 CG1 ILE A 28 -237.038 -13.021 105.969 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.464 -12.707 105.422 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.307 -13.921 107.140 1.00 0.00 C ATOM 0 H ILE A 28 -237.592 -12.705 103.242 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.413 -10.196 104.574 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.260 -11.391 106.620 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.910 -13.630 105.074 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -236.098 -12.495 106.134 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.725 -13.357 106.257 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.251 -11.967 105.278 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.358 -13.305 104.517 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.481 -14.622 107.258 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.406 -13.321 108.045 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.230 -14.474 106.969 1.00 0.00 H new ATOM 443 N ASN A 29 -235.919 -10.151 105.822 1.00 0.00 N ATOM 444 CA ASN A 29 -234.521 -9.801 106.060 1.00 0.00 C ATOM 445 C ASN A 29 -234.224 -9.790 107.556 1.00 0.00 C ATOM 446 O ASN A 29 -235.053 -9.358 108.355 1.00 0.00 O ATOM 447 CB ASN A 29 -234.158 -8.443 105.441 1.00 0.00 C ATOM 448 CG ASN A 29 -234.955 -7.290 106.017 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.551 -6.666 107.000 1.00 0.00 O ATOM 450 ND2 ASN A 29 -236.079 -6.989 105.392 1.00 0.00 N ATOM 0 H ASN A 29 -236.539 -9.977 106.613 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.908 -10.561 105.576 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -233.096 -8.254 105.594 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.322 -8.487 104.364 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.652 -6.211 105.720 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.374 -7.534 104.582 1.00 0.00 H new ATOM 457 N GLY A 30 -233.051 -10.291 107.924 1.00 0.00 N ATOM 458 CA GLY A 30 -232.633 -10.280 109.315 1.00 0.00 C ATOM 459 C GLY A 30 -233.446 -11.223 110.184 1.00 0.00 C ATOM 460 O GLY A 30 -233.500 -12.429 109.927 1.00 0.00 O ATOM 0 H GLY A 30 -232.378 -10.707 107.281 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.580 -10.556 109.375 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.720 -9.267 109.707 1.00 0.00 H new ATOM 464 N GLY A 31 -234.078 -10.669 111.209 1.00 0.00 N ATOM 465 CA GLY A 31 -234.887 -11.465 112.111 1.00 0.00 C ATOM 466 C GLY A 31 -236.306 -10.942 112.200 1.00 0.00 C ATOM 467 O GLY A 31 -236.740 -10.452 113.247 1.00 0.00 O ATOM 0 H GLY A 31 -234.044 -9.675 111.433 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.901 -12.500 111.770 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.435 -11.463 113.103 1.00 0.00 H new ATOM 471 N THR A 32 -237.023 -11.038 111.092 1.00 0.00 N ATOM 472 CA THR A 32 -238.380 -10.531 110.999 1.00 0.00 C ATOM 473 C THR A 32 -239.345 -11.274 111.916 1.00 0.00 C ATOM 474 O THR A 32 -239.395 -12.504 111.915 1.00 0.00 O ATOM 475 CB THR A 32 -238.900 -10.641 109.574 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.461 -11.879 109.011 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.415 -9.480 108.720 1.00 0.00 C ATOM 0 H THR A 32 -236.680 -11.469 110.234 1.00 0.00 H new ATOM 0 HA THR A 32 -238.334 -9.487 111.311 1.00 0.00 H new ATOM 0 HB THR A 32 -239.989 -10.607 109.595 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.987 -12.615 109.388 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.803 -9.587 107.707 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.768 -8.542 109.147 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.325 -9.479 108.693 1.00 0.00 H new ATOM 485 N LYS A 33 -240.109 -10.522 112.693 1.00 0.00 N ATOM 486 CA LYS A 33 -241.225 -11.089 113.435 1.00 0.00 C ATOM 487 C LYS A 33 -242.393 -11.279 112.496 1.00 0.00 C ATOM 488 O LYS A 33 -242.288 -10.988 111.309 1.00 0.00 O ATOM 489 CB LYS A 33 -241.668 -10.175 114.567 1.00 0.00 C ATOM 490 CG LYS A 33 -240.659 -10.044 115.676 1.00 0.00 C ATOM 491 CD LYS A 33 -239.648 -8.942 115.407 1.00 0.00 C ATOM 492 CE LYS A 33 -238.394 -9.136 116.244 1.00 0.00 C ATOM 493 NZ LYS A 33 -237.663 -10.379 115.871 1.00 0.00 N ATOM 0 H LYS A 33 -239.977 -9.519 112.826 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.898 -12.038 113.860 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.877 -9.185 114.161 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -242.602 -10.553 114.982 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.177 -9.839 116.613 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -240.136 -10.992 115.802 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.386 -8.935 114.349 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -240.093 -7.973 115.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -237.736 -8.276 116.117 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -238.665 -9.177 117.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -236.703 -10.350 116.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -238.170 -11.206 116.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -237.605 -10.450 114.835 1.00 0.00 H new ATOM 507 N ALA A 34 -243.516 -11.727 113.029 1.00 0.00 N ATOM 508 CA ALA A 34 -244.733 -11.808 112.242 1.00 0.00 C ATOM 509 C ALA A 34 -245.221 -10.405 111.883 1.00 0.00 C ATOM 510 O ALA A 34 -245.950 -10.216 110.919 1.00 0.00 O ATOM 511 CB ALA A 34 -245.803 -12.567 113.001 1.00 0.00 C ATOM 0 H ALA A 34 -243.610 -12.038 113.996 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.520 -12.348 111.320 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.709 -12.619 112.398 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.451 -13.576 113.215 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -246.019 -12.052 113.937 1.00 0.00 H new ATOM 517 N LYS A 35 -244.791 -9.424 112.667 1.00 0.00 N ATOM 518 CA LYS A 35 -245.202 -8.034 112.460 1.00 0.00 C ATOM 519 C LYS A 35 -244.373 -7.412 111.352 1.00 0.00 C ATOM 520 O LYS A 35 -244.904 -6.819 110.414 1.00 0.00 O ATOM 521 CB LYS A 35 -245.077 -7.218 113.758 1.00 0.00 C ATOM 522 CG LYS A 35 -243.697 -7.251 114.401 1.00 0.00 C ATOM 523 CD LYS A 35 -243.651 -6.425 115.680 1.00 0.00 C ATOM 524 CE LYS A 35 -244.443 -7.077 116.806 1.00 0.00 C ATOM 525 NZ LYS A 35 -244.443 -6.256 118.047 1.00 0.00 N ATOM 0 H LYS A 35 -244.157 -9.562 113.454 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.251 -8.024 112.166 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.339 -6.181 113.546 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.807 -7.591 114.477 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.424 -8.282 114.624 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -242.958 -6.871 113.696 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -242.615 -6.297 115.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.050 -5.430 115.484 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -245.470 -7.237 116.479 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -244.021 -8.058 117.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -245.207 -6.577 118.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -243.529 -6.360 118.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.593 -5.256 117.802 1.00 0.00 H new ATOM 539 N GLN A 36 -243.063 -7.579 111.461 1.00 0.00 N ATOM 540 CA GLN A 36 -242.146 -7.133 110.438 1.00 0.00 C ATOM 541 C GLN A 36 -242.388 -7.924 109.169 1.00 0.00 C ATOM 542 O GLN A 36 -242.020 -7.503 108.070 1.00 0.00 O ATOM 543 CB GLN A 36 -240.705 -7.296 110.913 1.00 0.00 C ATOM 544 CG GLN A 36 -240.421 -6.589 112.230 1.00 0.00 C ATOM 545 CD GLN A 36 -240.876 -5.145 112.224 1.00 0.00 C ATOM 546 OE1 GLN A 36 -242.019 -4.844 112.561 1.00 0.00 O ATOM 547 NE2 GLN A 36 -239.983 -4.240 111.860 1.00 0.00 N ATOM 0 H GLN A 36 -242.613 -8.026 112.260 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.315 -6.076 110.233 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.484 -8.358 111.024 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.032 -6.909 110.148 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -240.922 -7.121 113.039 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -239.351 -6.628 112.436 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -239.044 -4.531 111.587 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -240.233 -3.251 111.852 1.00 0.00 H new ATOM 556 N LEU A 37 -242.983 -9.095 109.331 1.00 0.00 N ATOM 557 CA LEU A 37 -243.308 -9.924 108.202 1.00 0.00 C ATOM 558 C LEU A 37 -244.598 -9.545 107.547 1.00 0.00 C ATOM 559 O LEU A 37 -244.657 -9.492 106.332 1.00 0.00 O ATOM 560 CB LEU A 37 -243.356 -11.381 108.567 1.00 0.00 C ATOM 561 CG LEU A 37 -242.524 -12.181 107.617 1.00 0.00 C ATOM 562 CD1 LEU A 37 -243.103 -12.075 106.222 1.00 0.00 C ATOM 563 CD2 LEU A 37 -241.153 -11.585 107.623 1.00 0.00 C ATOM 0 H LEU A 37 -243.247 -9.485 110.236 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.501 -9.755 107.489 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.993 -11.520 109.585 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.387 -11.735 108.545 1.00 0.00 H new ATOM 0 HG LEU A 37 -242.501 -13.230 107.912 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.495 -12.659 105.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -244.123 -12.459 106.221 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.108 -11.031 105.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.511 -12.142 106.940 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.207 -10.544 107.303 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.739 -11.634 108.630 1.00 0.00 H new ATOM 575 N LEU A 38 -245.633 -9.325 108.325 1.00 0.00 N ATOM 576 CA LEU A 38 -246.880 -8.870 107.760 1.00 0.00 C ATOM 577 C LEU A 38 -246.571 -7.664 106.875 1.00 0.00 C ATOM 578 O LEU A 38 -247.096 -7.540 105.785 1.00 0.00 O ATOM 579 CB LEU A 38 -247.871 -8.545 108.888 1.00 0.00 C ATOM 580 CG LEU A 38 -249.339 -8.397 108.472 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.833 -6.993 108.776 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.527 -8.732 106.994 1.00 0.00 C ATOM 0 H LEU A 38 -245.637 -9.452 109.337 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.352 -9.638 107.148 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.805 -9.331 109.640 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.555 -7.618 109.367 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.932 -9.106 109.050 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.877 -6.902 108.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.745 -6.800 109.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.232 -6.269 108.226 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.577 -8.619 106.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.923 -8.056 106.388 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.215 -9.760 106.811 1.00 0.00 H new ATOM 594 N GLN A 39 -245.617 -6.864 107.323 1.00 0.00 N ATOM 595 CA GLN A 39 -245.035 -5.802 106.562 1.00 0.00 C ATOM 596 C GLN A 39 -244.511 -6.290 105.239 1.00 0.00 C ATOM 597 O GLN A 39 -244.832 -5.751 104.202 1.00 0.00 O ATOM 598 CB GLN A 39 -243.829 -5.346 107.329 1.00 0.00 C ATOM 599 CG GLN A 39 -243.275 -4.071 106.796 1.00 0.00 C ATOM 600 CD GLN A 39 -241.984 -3.645 107.473 1.00 0.00 C ATOM 601 OE1 GLN A 39 -241.200 -4.615 107.923 1.00 0.00 O flip ATOM 602 NE2 GLN A 39 -241.695 -2.457 107.589 1.00 0.00 N flip ATOM 0 H GLN A 39 -245.222 -6.950 108.260 1.00 0.00 H new ATOM 0 HA GLN A 39 -245.788 -5.031 106.396 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.095 -5.215 108.378 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.061 -6.119 107.290 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.097 -4.180 105.726 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.017 -3.282 106.917 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -242.326 -1.741 107.229 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.824 -2.186 108.045 1.00 0.00 H new ATOM 611 N GLN A 40 -243.651 -7.281 105.308 1.00 0.00 N ATOM 612 CA GLN A 40 -243.058 -7.867 104.128 1.00 0.00 C ATOM 613 C GLN A 40 -244.117 -8.359 103.158 1.00 0.00 C ATOM 614 O GLN A 40 -243.924 -8.358 101.945 1.00 0.00 O ATOM 615 CB GLN A 40 -242.125 -9.002 104.529 1.00 0.00 C ATOM 616 CG GLN A 40 -240.726 -8.510 104.829 1.00 0.00 C ATOM 617 CD GLN A 40 -240.214 -7.647 103.695 1.00 0.00 C ATOM 618 OE1 GLN A 40 -240.797 -7.849 102.523 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.354 -6.786 103.877 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.343 -7.703 106.184 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.483 -7.096 103.616 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.527 -9.508 105.407 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.085 -9.739 103.727 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.726 -7.939 105.757 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.059 -9.359 104.977 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -238.935 -6.670 104.800 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.060 -6.188 103.105 1.00 0.00 H new ATOM 628 N ILE A 41 -245.229 -8.756 103.725 1.00 0.00 N ATOM 629 CA ILE A 41 -246.375 -9.245 102.988 1.00 0.00 C ATOM 630 C ILE A 41 -247.156 -8.066 102.394 1.00 0.00 C ATOM 631 O ILE A 41 -247.781 -8.163 101.336 1.00 0.00 O ATOM 632 CB ILE A 41 -247.263 -10.066 103.952 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.416 -11.128 104.689 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.432 -10.714 103.238 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.335 -11.799 103.844 1.00 0.00 C ATOM 0 H ILE A 41 -245.369 -8.749 104.735 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.052 -9.881 102.164 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.679 -9.374 104.684 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.942 -10.657 105.550 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -247.084 -11.898 105.074 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.028 -11.280 103.954 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.051 -9.943 102.780 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.059 -11.386 102.465 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.797 -12.527 104.452 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.797 -12.305 102.997 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.638 -11.045 103.480 1.00 0.00 H new ATOM 647 N LEU A 42 -247.069 -6.950 103.092 1.00 0.00 N ATOM 648 CA LEU A 42 -247.784 -5.725 102.769 1.00 0.00 C ATOM 649 C LEU A 42 -247.061 -4.885 101.727 1.00 0.00 C ATOM 650 O LEU A 42 -247.667 -4.380 100.785 1.00 0.00 O ATOM 651 CB LEU A 42 -247.896 -4.919 104.045 1.00 0.00 C ATOM 652 CG LEU A 42 -248.858 -5.513 105.058 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.543 -4.984 106.419 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.297 -5.205 104.694 1.00 0.00 C ATOM 0 H LEU A 42 -246.483 -6.866 103.923 1.00 0.00 H new ATOM 0 HA LEU A 42 -248.757 -5.989 102.355 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -246.909 -4.836 104.500 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.220 -3.908 103.799 1.00 0.00 H new ATOM 0 HG LEU A 42 -248.738 -6.596 105.054 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.235 -5.412 107.145 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.522 -5.255 106.687 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.642 -3.899 106.419 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -250.962 -5.643 105.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.443 -4.125 104.668 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.522 -5.625 103.714 1.00 0.00 H new ATOM 666 N THR A 43 -245.758 -4.766 101.921 1.00 0.00 N ATOM 667 CA THR A 43 -244.932 -3.767 101.285 1.00 0.00 C ATOM 668 C THR A 43 -245.174 -3.653 99.793 1.00 0.00 C ATOM 669 O THR A 43 -244.759 -4.485 98.983 1.00 0.00 O ATOM 670 CB THR A 43 -243.427 -3.992 101.575 1.00 0.00 C ATOM 671 OG1 THR A 43 -242.638 -3.023 100.876 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.981 -5.394 101.188 1.00 0.00 C ATOM 0 H THR A 43 -245.236 -5.382 102.544 1.00 0.00 H new ATOM 0 HA THR A 43 -245.231 -2.818 101.729 1.00 0.00 H new ATOM 0 HB THR A 43 -243.280 -3.877 102.649 1.00 0.00 H new ATOM 0 HG1 THR A 43 -241.689 -3.174 101.068 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.920 -5.512 101.407 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.552 -6.128 101.757 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.151 -5.549 100.122 1.00 0.00 H new ATOM 823 N THR A 53 -253.298 -3.038 108.470 1.00 0.00 N ATOM 824 CA THR A 53 -254.394 -3.085 109.425 1.00 0.00 C ATOM 825 C THR A 53 -254.449 -4.416 110.194 1.00 0.00 C ATOM 826 O THR A 53 -253.413 -5.008 110.487 1.00 0.00 O ATOM 827 CB THR A 53 -255.730 -2.790 108.679 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.834 -2.713 109.587 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.016 -3.836 107.609 1.00 0.00 C ATOM 0 HA THR A 53 -254.228 -2.318 110.182 1.00 0.00 H new ATOM 0 HB THR A 53 -255.610 -1.821 108.195 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.656 -2.525 109.087 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.955 -3.598 107.110 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.207 -3.840 106.878 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.091 -4.820 108.073 1.00 0.00 H new ATOM 837 N ASP A 54 -255.673 -4.848 110.509 1.00 0.00 N ATOM 838 CA ASP A 54 -255.989 -5.989 111.392 1.00 0.00 C ATOM 839 C ASP A 54 -255.343 -7.316 110.996 1.00 0.00 C ATOM 840 O ASP A 54 -255.604 -8.345 111.614 1.00 0.00 O ATOM 841 CB ASP A 54 -257.491 -6.202 111.361 1.00 0.00 C ATOM 842 CG ASP A 54 -258.272 -5.142 112.112 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.590 -4.095 111.512 1.00 0.00 O ATOM 844 OD2 ASP A 54 -258.588 -5.356 113.299 1.00 0.00 O ATOM 0 H ASP A 54 -256.511 -4.397 110.143 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.594 -5.725 112.373 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.825 -6.220 110.324 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.719 -7.179 111.787 1.00 0.00 H new ATOM 849 N TYR A 55 -254.534 -7.303 109.979 1.00 0.00 N ATOM 850 CA TYR A 55 -253.947 -8.530 109.458 1.00 0.00 C ATOM 851 C TYR A 55 -252.992 -9.190 110.450 1.00 0.00 C ATOM 852 O TYR A 55 -252.300 -8.519 111.218 1.00 0.00 O ATOM 853 CB TYR A 55 -253.195 -8.240 108.175 1.00 0.00 C ATOM 854 CG TYR A 55 -254.073 -7.864 107.019 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.116 -8.680 106.635 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.846 -6.697 106.307 1.00 0.00 C ATOM 857 CE1 TYR A 55 -255.919 -8.350 105.570 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.644 -6.354 105.238 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.681 -7.182 104.872 1.00 0.00 C ATOM 860 OH TYR A 55 -256.476 -6.842 103.804 1.00 0.00 O ATOM 0 H TYR A 55 -254.256 -6.457 109.482 1.00 0.00 H new ATOM 0 HA TYR A 55 -254.771 -9.220 109.274 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.487 -7.431 108.357 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.611 -9.119 107.902 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.305 -9.593 107.180 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.032 -6.048 106.594 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -256.731 -9.000 105.280 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.457 -5.442 104.691 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.171 -5.990 103.428 1.00 0.00 H new ATOM 870 N PHE A 56 -252.987 -10.513 110.423 1.00 0.00 N ATOM 871 CA PHE A 56 -252.038 -11.324 111.175 1.00 0.00 C ATOM 872 C PHE A 56 -251.873 -12.650 110.445 1.00 0.00 C ATOM 873 O PHE A 56 -252.465 -12.844 109.400 1.00 0.00 O ATOM 874 CB PHE A 56 -252.493 -11.546 112.628 1.00 0.00 C ATOM 875 CG PHE A 56 -253.833 -12.214 112.766 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.991 -11.464 112.661 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.940 -13.584 112.991 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.230 -12.055 112.779 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.187 -14.181 113.106 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.333 -13.409 112.998 1.00 0.00 C ATOM 0 H PHE A 56 -253.648 -11.062 109.873 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.083 -10.802 111.233 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.745 -12.150 113.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.527 -10.582 113.136 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -254.923 -10.401 112.484 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.047 -14.185 113.076 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.123 -11.453 112.699 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.265 -15.244 113.279 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.306 -13.870 113.086 1.00 0.00 H new ATOM 890 N LEU A 57 -251.077 -13.549 110.977 1.00 0.00 N ATOM 891 CA LEU A 57 -250.787 -14.810 110.300 1.00 0.00 C ATOM 892 C LEU A 57 -251.450 -15.925 111.070 1.00 0.00 C ATOM 893 O LEU A 57 -251.969 -15.679 112.141 1.00 0.00 O ATOM 894 CB LEU A 57 -249.273 -15.069 110.212 1.00 0.00 C ATOM 895 CG LEU A 57 -248.443 -14.021 109.460 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.564 -12.671 110.129 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.987 -14.442 109.389 1.00 0.00 C ATOM 0 H LEU A 57 -250.614 -13.438 111.879 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.171 -14.761 109.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.881 -15.151 111.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.119 -16.035 109.731 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.831 -13.944 108.444 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -247.969 -11.939 109.582 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.608 -12.359 110.133 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.202 -12.740 111.155 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.415 -13.685 108.852 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.589 -14.549 110.398 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.909 -15.395 108.866 1.00 0.00 H new ATOM 909 N MET A 58 -251.496 -17.122 110.508 1.00 0.00 N ATOM 910 CA MET A 58 -251.937 -18.306 111.244 1.00 0.00 C ATOM 911 C MET A 58 -251.348 -19.555 110.610 1.00 0.00 C ATOM 912 O MET A 58 -251.000 -19.543 109.430 1.00 0.00 O ATOM 913 CB MET A 58 -253.461 -18.456 111.269 1.00 0.00 C ATOM 914 CG MET A 58 -254.229 -17.319 111.927 1.00 0.00 C ATOM 915 SD MET A 58 -255.929 -17.771 112.300 1.00 0.00 S ATOM 916 CE MET A 58 -256.171 -19.007 111.036 1.00 0.00 C ATOM 0 H MET A 58 -251.233 -17.304 109.540 1.00 0.00 H new ATOM 0 HA MET A 58 -251.590 -18.181 112.270 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.813 -18.561 110.243 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.707 -19.383 111.787 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.723 -17.026 112.847 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.222 -16.450 111.269 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.232 -19.241 110.955 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.809 -18.626 110.081 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.619 -19.909 111.299 1.00 0.00 H new ATOM 926 N GLU A 59 -251.233 -20.621 111.388 1.00 0.00 N ATOM 927 CA GLU A 59 -250.780 -21.898 110.860 1.00 0.00 C ATOM 928 C GLU A 59 -251.953 -22.742 110.387 1.00 0.00 C ATOM 929 O GLU A 59 -252.861 -23.053 111.158 1.00 0.00 O ATOM 930 CB GLU A 59 -249.994 -22.680 111.901 1.00 0.00 C ATOM 931 CG GLU A 59 -248.528 -22.317 111.962 1.00 0.00 C ATOM 932 CD GLU A 59 -247.751 -23.325 112.768 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.737 -24.514 112.378 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.183 -22.947 113.808 1.00 0.00 O ATOM 0 H GLU A 59 -251.447 -20.627 112.385 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.129 -21.678 110.014 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -250.441 -22.512 112.881 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -250.086 -23.745 111.687 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.121 -22.264 110.952 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -248.414 -21.327 112.404 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.638 -22.696 114.965 1.00 0.00 N ATOM 1263 CA ARG A 78 -253.162 -21.689 115.898 1.00 0.00 C ATOM 1264 C ARG A 78 -252.862 -20.385 115.168 1.00 0.00 C ATOM 1265 O ARG A 78 -252.297 -20.383 114.070 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.937 -22.183 116.678 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.787 -22.668 115.816 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.678 -23.267 116.670 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.600 -23.812 115.852 1.00 0.00 N ATOM 1270 CZ ARG A 78 -248.077 -25.025 116.001 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -248.439 -25.807 117.009 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.162 -25.451 115.146 1.00 0.00 N ATOM 0 HA ARG A 78 -253.953 -21.500 116.624 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.579 -21.374 117.315 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -252.246 -22.995 117.337 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -251.148 -23.414 115.108 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.392 -21.838 115.231 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -249.278 -22.502 117.336 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -250.090 -24.055 117.301 1.00 0.00 H new ATOM 0 HE ARG A 78 -248.221 -23.220 115.113 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -249.129 -25.481 117.685 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -248.027 -26.735 117.108 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -246.862 -24.850 114.378 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -246.756 -26.381 115.254 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.266 -19.285 115.781 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.147 -17.969 115.175 1.00 0.00 C ATOM 1288 C ALA A 79 -251.777 -17.350 115.471 1.00 0.00 C ATOM 1289 O ALA A 79 -251.222 -17.541 116.551 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.252 -17.062 115.692 1.00 0.00 C ATOM 0 H ALA A 79 -253.685 -19.279 116.711 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.244 -18.077 114.095 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.158 -16.077 115.235 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.222 -17.489 115.438 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.169 -16.969 116.775 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.240 -16.636 114.497 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.964 -15.940 114.628 1.00 0.00 C ATOM 1298 C ILE A 80 -250.161 -14.446 114.832 1.00 0.00 C ATOM 1299 O ILE A 80 -250.578 -13.723 113.922 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.051 -16.179 113.402 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.461 -17.579 113.464 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.932 -15.147 113.344 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.585 -17.768 114.675 1.00 0.00 C ATOM 0 H ILE A 80 -251.678 -16.520 113.583 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.476 -16.354 115.510 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.655 -16.078 112.500 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.267 -18.312 113.482 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -247.879 -17.768 112.562 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.305 -15.338 112.473 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.362 -14.148 113.270 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.327 -15.215 114.248 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.184 -18.782 114.680 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.763 -17.053 114.644 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -248.173 -17.606 115.578 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.883 -14.000 116.045 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.838 -12.584 116.314 1.00 0.00 C ATOM 1317 C GLY A 81 -248.434 -12.052 116.118 1.00 0.00 C ATOM 1318 O GLY A 81 -247.490 -12.830 116.101 1.00 0.00 O ATOM 0 H GLY A 81 -249.687 -14.596 116.849 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -250.528 -12.060 115.652 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -250.167 -12.391 117.335 1.00 0.00 H new ATOM 1322 N PRO A 82 -248.260 -10.734 115.972 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.952 -10.112 115.740 1.00 0.00 C ATOM 1324 C PRO A 82 -245.925 -10.417 116.823 1.00 0.00 C ATOM 1325 O PRO A 82 -244.720 -10.440 116.558 1.00 0.00 O ATOM 1326 CB PRO A 82 -247.278 -8.616 115.709 1.00 0.00 C ATOM 1327 CG PRO A 82 -248.704 -8.568 115.306 1.00 0.00 C ATOM 1328 CD PRO A 82 -249.322 -9.732 116.013 1.00 0.00 C ATOM 0 HA PRO A 82 -246.490 -10.491 114.828 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -247.123 -8.153 116.684 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -246.644 -8.084 114.999 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -249.170 -7.628 115.602 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.816 -8.653 114.225 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -249.603 -9.482 117.036 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -250.225 -10.078 115.510 1.00 0.00 H new ATOM 1336 N GLU A 83 -246.410 -10.624 118.034 1.00 0.00 N ATOM 1337 CA GLU A 83 -245.563 -11.012 119.145 1.00 0.00 C ATOM 1338 C GLU A 83 -244.936 -12.379 118.892 1.00 0.00 C ATOM 1339 O GLU A 83 -243.745 -12.585 119.114 1.00 0.00 O ATOM 1340 CB GLU A 83 -246.393 -11.030 120.411 1.00 0.00 C ATOM 1341 CG GLU A 83 -247.004 -9.679 120.717 1.00 0.00 C ATOM 1342 CD GLU A 83 -245.973 -8.567 120.774 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -245.289 -8.442 121.809 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -245.851 -7.808 119.791 1.00 0.00 O ATOM 0 H GLU A 83 -247.397 -10.528 118.273 1.00 0.00 H new ATOM 0 HA GLU A 83 -244.752 -10.292 119.253 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -247.186 -11.771 120.312 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -245.768 -11.342 121.248 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -247.747 -9.441 119.956 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -247.529 -9.730 121.671 1.00 0.00 H new ATOM 1351 N GLU A 84 -245.761 -13.299 118.417 1.00 0.00 N ATOM 1352 CA GLU A 84 -245.323 -14.643 118.065 1.00 0.00 C ATOM 1353 C GLU A 84 -244.620 -14.628 116.709 1.00 0.00 C ATOM 1354 O GLU A 84 -245.149 -14.109 115.727 1.00 0.00 O ATOM 1355 CB GLU A 84 -246.534 -15.573 118.032 1.00 0.00 C ATOM 1356 CG GLU A 84 -247.313 -15.572 119.336 1.00 0.00 C ATOM 1357 CD GLU A 84 -248.654 -16.261 119.226 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.701 -17.505 119.312 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -249.676 -15.554 119.067 1.00 0.00 O ATOM 0 H GLU A 84 -246.756 -13.135 118.264 1.00 0.00 H new ATOM 0 HA GLU A 84 -244.615 -15.004 118.811 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -247.195 -15.273 117.219 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -246.201 -16.588 117.814 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -246.720 -16.065 120.107 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -247.466 -14.543 119.660 1.00 0.00 H new ATOM 1366 N GLU A 85 -243.426 -15.187 116.649 1.00 0.00 N ATOM 1367 CA GLU A 85 -242.620 -15.079 115.450 1.00 0.00 C ATOM 1368 C GLU A 85 -242.599 -16.367 114.636 1.00 0.00 C ATOM 1369 O GLU A 85 -242.334 -17.463 115.145 1.00 0.00 O ATOM 1370 CB GLU A 85 -241.208 -14.661 115.824 1.00 0.00 C ATOM 1371 CG GLU A 85 -241.186 -13.415 116.689 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.774 -12.974 117.021 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -239.034 -12.595 116.095 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -239.398 -12.998 118.212 1.00 0.00 O ATOM 0 H GLU A 85 -242.997 -15.715 117.409 1.00 0.00 H new ATOM 0 HA GLU A 85 -243.076 -14.320 114.814 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.718 -15.478 116.355 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -240.632 -14.480 114.916 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.705 -12.607 116.173 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.732 -13.606 117.613 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.852 -16.215 113.345 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.842 -17.332 112.414 1.00 0.00 C ATOM 1383 C ILE A 86 -241.460 -17.951 112.310 1.00 0.00 C ATOM 1384 O ILE A 86 -241.316 -19.109 111.945 1.00 0.00 O ATOM 1385 CB ILE A 86 -243.307 -16.894 111.017 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -242.441 -15.738 110.499 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.765 -16.490 111.079 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.813 -15.273 109.109 1.00 0.00 C ATOM 0 H ILE A 86 -243.069 -15.316 112.914 1.00 0.00 H new ATOM 0 HA ILE A 86 -243.536 -18.077 112.804 1.00 0.00 H new ATOM 0 HB ILE A 86 -243.198 -17.727 110.322 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -242.524 -14.897 111.188 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -241.396 -16.050 110.501 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -245.099 -16.178 110.089 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -245.363 -17.337 111.414 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -244.884 -15.663 111.779 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -242.158 -14.454 108.812 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.703 -16.100 108.407 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.847 -14.929 109.105 1.00 0.00 H new ATOM 1400 N MET A 87 -240.439 -17.177 112.643 1.00 0.00 N ATOM 1401 CA MET A 87 -239.081 -17.690 112.654 1.00 0.00 C ATOM 1402 C MET A 87 -238.852 -18.593 113.852 1.00 0.00 C ATOM 1403 O MET A 87 -237.925 -19.395 113.863 1.00 0.00 O ATOM 1404 CB MET A 87 -238.055 -16.560 112.592 1.00 0.00 C ATOM 1405 CG MET A 87 -237.742 -16.168 111.161 1.00 0.00 C ATOM 1406 SD MET A 87 -237.173 -17.585 110.196 1.00 0.00 S ATOM 1407 CE MET A 87 -237.433 -17.000 108.526 1.00 0.00 C ATOM 0 H MET A 87 -240.525 -16.196 112.908 1.00 0.00 H new ATOM 0 HA MET A 87 -238.944 -18.293 111.756 1.00 0.00 H new ATOM 0 HB2 MET A 87 -238.435 -15.693 113.133 1.00 0.00 H new ATOM 0 HB3 MET A 87 -237.139 -16.872 113.093 1.00 0.00 H new ATOM 0 HG2 MET A 87 -238.632 -15.743 110.696 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.977 -15.391 111.154 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.838 -17.808 107.916 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.136 -16.167 108.538 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.484 -16.668 108.105 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.716 -18.479 114.853 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.665 -19.396 115.985 1.00 0.00 C ATOM 1419 C GLN A 88 -240.258 -20.715 115.530 1.00 0.00 C ATOM 1420 O GLN A 88 -239.825 -21.798 115.924 1.00 0.00 O ATOM 1421 CB GLN A 88 -240.461 -18.854 117.171 1.00 0.00 C ATOM 1422 CG GLN A 88 -240.016 -17.479 117.627 1.00 0.00 C ATOM 1423 CD GLN A 88 -240.979 -16.854 118.617 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -242.180 -17.119 118.580 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -240.468 -16.013 119.501 1.00 0.00 N ATOM 0 H GLN A 88 -240.450 -17.772 114.905 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.633 -19.520 116.312 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -241.516 -18.813 116.901 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -240.372 -19.550 118.005 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -239.029 -17.553 118.083 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -239.918 -16.826 116.759 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -239.467 -15.819 119.500 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -241.075 -15.559 120.183 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.257 -20.582 114.673 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.933 -21.719 114.072 1.00 0.00 C ATOM 1436 C ILE A 89 -241.014 -22.464 113.104 1.00 0.00 C ATOM 1437 O ILE A 89 -240.821 -23.674 113.207 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.170 -21.241 113.308 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.978 -20.297 114.195 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.015 -22.424 112.854 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.367 -20.878 115.536 1.00 0.00 C ATOM 0 H ILE A 89 -241.623 -19.678 114.374 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.221 -22.398 114.875 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.855 -20.703 112.414 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.398 -19.389 114.361 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.883 -20.005 113.663 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -244.889 -22.061 112.313 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.423 -23.064 112.199 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.338 -22.995 113.724 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.938 -20.141 116.100 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.976 -21.769 115.384 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.468 -21.144 116.092 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.417 -21.710 112.192 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.603 -22.274 111.120 1.00 0.00 C ATOM 1455 C LEU A 90 -238.281 -22.844 111.633 1.00 0.00 C ATOM 1456 O LEU A 90 -237.726 -23.762 111.029 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.347 -21.203 110.058 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.599 -20.718 109.319 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.353 -19.368 108.674 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.026 -21.731 108.268 1.00 0.00 C ATOM 0 H LEU A 90 -240.482 -20.692 112.172 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.156 -23.105 110.682 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.869 -20.347 110.534 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -238.641 -21.597 109.327 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.402 -20.612 110.048 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.255 -19.043 108.155 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -240.094 -18.639 109.442 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.533 -19.450 107.960 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -241.916 -21.369 107.754 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.221 -21.868 107.546 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.247 -22.684 108.749 1.00 0.00 H new ATOM 1472 N SER A 91 -237.774 -22.311 112.738 1.00 0.00 N ATOM 1473 CA SER A 91 -236.534 -22.820 113.313 1.00 0.00 C ATOM 1474 C SER A 91 -236.764 -24.170 113.986 1.00 0.00 C ATOM 1475 O SER A 91 -235.828 -24.954 114.151 1.00 0.00 O ATOM 1476 CB SER A 91 -235.944 -21.822 114.310 1.00 0.00 C ATOM 1477 OG SER A 91 -235.594 -20.607 113.667 1.00 0.00 O ATOM 0 H SER A 91 -238.196 -21.536 113.249 1.00 0.00 H new ATOM 0 HA SER A 91 -235.819 -22.956 112.501 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.666 -21.623 115.102 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.062 -22.254 114.784 1.00 0.00 H new ATOM 0 HG SER A 91 -236.286 -19.934 113.840 1.00 0.00 H new ATOM 1658 N ILE A 103 -248.854 -20.664 106.218 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.397 -19.455 106.827 1.00 0.00 C ATOM 1660 C ILE A 103 -250.603 -18.914 106.074 1.00 0.00 C ATOM 1661 O ILE A 103 -250.590 -18.826 104.847 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.334 -18.339 106.875 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.094 -18.812 107.637 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.907 -17.084 107.519 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.009 -17.762 107.744 1.00 0.00 C ATOM 0 HA ILE A 103 -249.704 -19.741 107.833 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.041 -18.099 105.853 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.390 -19.120 108.640 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -246.687 -19.693 107.140 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.143 -16.307 107.545 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.761 -16.735 106.939 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.228 -17.311 108.536 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.162 -18.169 108.297 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.684 -17.471 106.745 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.398 -16.889 108.268 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.628 -18.531 106.821 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.743 -17.792 106.284 1.00 0.00 C ATOM 1679 C VAL A 104 -252.772 -16.422 106.913 1.00 0.00 C ATOM 1680 O VAL A 104 -252.966 -16.285 108.119 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.104 -18.472 106.529 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.374 -19.538 105.482 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.188 -19.040 107.929 1.00 0.00 C ATOM 0 H VAL A 104 -251.703 -18.728 107.819 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.596 -17.740 105.205 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.880 -17.712 106.437 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.340 -20.003 105.677 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.384 -19.082 104.492 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.592 -20.296 105.524 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.159 -19.513 108.072 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.400 -19.780 108.069 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.065 -18.237 108.656 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.532 -15.413 106.112 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.704 -14.063 106.570 1.00 0.00 C ATOM 1695 C LEU A 105 -254.190 -13.835 106.788 1.00 0.00 C ATOM 1696 O LEU A 105 -254.973 -13.779 105.842 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.184 -13.080 105.544 1.00 0.00 C ATOM 1698 CG LEU A 105 -251.848 -11.714 106.102 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.690 -11.849 107.069 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.523 -10.743 104.981 1.00 0.00 C ATOM 0 H LEU A 105 -252.219 -15.503 105.145 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.147 -13.911 107.494 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.292 -13.498 105.077 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.930 -12.965 104.758 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.710 -11.313 106.636 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.440 -10.869 107.477 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -250.971 -12.519 107.881 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -249.825 -12.256 106.546 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.284 -9.767 105.403 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.668 -11.113 104.416 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.384 -10.651 104.318 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.571 -13.752 108.028 1.00 0.00 N ATOM 1713 CA LYS A 106 -255.954 -13.585 108.384 1.00 0.00 C ATOM 1714 C LYS A 106 -256.228 -12.128 108.703 1.00 0.00 C ATOM 1715 O LYS A 106 -255.318 -11.300 108.712 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.315 -14.458 109.585 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.400 -15.941 109.266 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.559 -16.252 108.329 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.778 -17.753 108.197 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.977 -18.088 107.379 1.00 0.00 N ATOM 0 H LYS A 106 -253.934 -13.798 108.823 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.569 -13.894 107.539 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.572 -14.307 110.368 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.273 -14.128 109.987 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.466 -16.269 108.810 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.519 -16.506 110.191 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.468 -15.781 108.703 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.360 -15.824 107.347 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.896 -18.207 107.745 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.887 -18.189 109.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.080 -19.121 107.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.825 -17.680 107.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.865 -17.697 106.422 1.00 0.00 H new ATOM 1734 N THR A 107 -257.472 -11.829 108.996 1.00 0.00 N ATOM 1735 CA THR A 107 -257.872 -10.515 109.380 1.00 0.00 C ATOM 1736 C THR A 107 -258.393 -10.608 110.798 1.00 0.00 C ATOM 1737 O THR A 107 -259.066 -11.578 111.146 1.00 0.00 O ATOM 1738 CB THR A 107 -258.994 -9.976 108.467 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.086 -10.906 108.425 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.492 -9.734 107.056 1.00 0.00 C ATOM 0 H THR A 107 -258.235 -12.505 108.971 1.00 0.00 H new ATOM 0 HA THR A 107 -257.024 -9.835 109.298 1.00 0.00 H new ATOM 0 HB THR A 107 -259.330 -9.027 108.884 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.793 -10.554 107.845 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.307 -9.355 106.440 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.684 -9.003 107.078 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.124 -10.670 106.635 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.074 -9.628 111.602 1.00 0.00 N ATOM 1749 CA GLN A 108 -258.564 -9.536 112.985 1.00 0.00 C ATOM 1750 C GLN A 108 -260.057 -9.178 112.982 1.00 0.00 C ATOM 1751 O GLN A 108 -260.586 -8.588 113.916 1.00 0.00 O ATOM 1752 CB GLN A 108 -257.737 -8.482 113.742 1.00 0.00 C ATOM 1753 CG GLN A 108 -257.583 -8.732 115.238 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.664 -8.078 116.077 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.146 -6.922 115.639 1.00 0.00 O flip ATOM 1756 NE2 GLN A 108 -259.050 -8.600 117.123 1.00 0.00 N flip ATOM 0 H GLN A 108 -257.464 -8.857 111.330 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.450 -10.495 113.490 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -256.745 -8.431 113.294 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.202 -7.507 113.598 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -257.593 -9.806 115.421 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -256.610 -8.362 115.561 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -258.654 -9.490 117.425 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -259.766 -8.142 117.687 1.00 0.00 H new