USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 483 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 40:sc= 0.583 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= -0.0127 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 49:sc= -1.99! USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0.926 (180deg=0.707) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.848) USER MOD Single : A 36 GLN : amide:sc= -0.0742 K(o=-0.074,f=-1.1) USER MOD Single : A 39 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.0051) USER MOD Single : A 40 GLN : amide:sc= -3.15! K(o=-3.1!,f=-1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -168:sc= -4.66! (180deg=-5.95!) USER MOD Single : A 87 MET CE :methyl -154:sc= -0.613 (180deg=-2.15!) USER MOD Single : A 88 GLN : amide:sc= 0.595 K(o=0.6,f=-3.2!) USER MOD Single : A 91 SER OG : rot 93:sc= 1.3 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 : amide:sc= -2.11! K(o=-2.1!,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.971 -12.763 104.104 1.00 0.00 N ATOM 134 CA THR A 9 -233.192 -12.444 103.385 1.00 0.00 C ATOM 135 C THR A 9 -233.852 -13.716 102.870 1.00 0.00 C ATOM 136 O THR A 9 -233.474 -14.251 101.827 1.00 0.00 O ATOM 137 CB THR A 9 -232.911 -11.487 102.207 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.906 -12.041 101.345 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.448 -10.126 102.708 1.00 0.00 C ATOM 0 HA THR A 9 -233.868 -11.945 104.080 1.00 0.00 H new ATOM 0 HB THR A 9 -233.840 -11.360 101.651 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.057 -13.004 101.243 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.257 -9.471 101.858 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.222 -9.687 103.337 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.533 -10.244 103.288 1.00 0.00 H new ATOM 147 N HIS A 10 -234.818 -14.218 103.623 1.00 0.00 N ATOM 148 CA HIS A 10 -235.533 -15.426 103.235 1.00 0.00 C ATOM 149 C HIS A 10 -236.971 -15.099 102.894 1.00 0.00 C ATOM 150 O HIS A 10 -237.589 -14.255 103.523 1.00 0.00 O ATOM 151 CB HIS A 10 -235.493 -16.476 104.345 1.00 0.00 C ATOM 152 CG HIS A 10 -234.140 -17.079 104.562 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.780 -18.310 104.068 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.058 -16.608 105.219 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.536 -18.571 104.412 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.070 -17.553 105.110 1.00 0.00 N ATOM 0 H HIS A 10 -235.126 -13.809 104.505 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.037 -15.837 102.356 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.830 -16.019 105.276 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.200 -17.271 104.106 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -232.984 -15.662 105.735 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.989 -19.468 104.164 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.132 -17.481 105.503 1.00 0.00 H new ATOM 165 N ARG A 11 -237.488 -15.758 101.885 1.00 0.00 N ATOM 166 CA ARG A 11 -238.843 -15.566 101.461 1.00 0.00 C ATOM 167 C ARG A 11 -239.770 -16.544 102.173 1.00 0.00 C ATOM 168 O ARG A 11 -239.415 -17.703 102.392 1.00 0.00 O ATOM 169 CB ARG A 11 -238.911 -15.746 99.964 1.00 0.00 C ATOM 170 CG ARG A 11 -239.708 -14.656 99.313 1.00 0.00 C ATOM 171 CD ARG A 11 -239.272 -14.434 97.886 1.00 0.00 C ATOM 172 NE ARG A 11 -240.219 -13.615 97.125 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.009 -13.207 95.875 1.00 0.00 C ATOM 174 NH1 ARG A 11 -238.882 -13.531 95.250 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.934 -12.483 95.245 1.00 0.00 N ATOM 0 H ARG A 11 -236.973 -16.445 101.335 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.172 -14.559 101.718 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.902 -15.756 99.552 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.359 -16.713 99.733 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.767 -14.914 99.336 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.593 -13.731 99.878 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -238.295 -13.951 97.880 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -239.154 -15.399 97.392 1.00 0.00 H new ATOM 0 HE ARG A 11 -241.090 -13.341 97.579 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -238.177 -14.093 95.728 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -238.722 -13.218 94.292 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -241.803 -12.241 95.720 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.772 -12.171 94.287 1.00 0.00 H new ATOM 189 N VAL A 12 -240.950 -16.070 102.532 1.00 0.00 N ATOM 190 CA VAL A 12 -241.921 -16.880 103.244 1.00 0.00 C ATOM 191 C VAL A 12 -243.235 -16.893 102.471 1.00 0.00 C ATOM 192 O VAL A 12 -243.806 -15.842 102.164 1.00 0.00 O ATOM 193 CB VAL A 12 -242.123 -16.364 104.688 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.304 -14.850 104.700 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.302 -17.064 105.351 1.00 0.00 C ATOM 0 H VAL A 12 -241.260 -15.118 102.339 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.547 -17.901 103.318 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.228 -16.598 105.264 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.445 -14.508 105.726 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.419 -14.374 104.277 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.178 -14.583 104.106 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.426 -16.686 106.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.209 -16.870 104.778 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.116 -18.138 105.384 1.00 0.00 H new ATOM 205 N THR A 13 -243.676 -18.088 102.099 1.00 0.00 N ATOM 206 CA THR A 13 -244.839 -18.230 101.240 1.00 0.00 C ATOM 207 C THR A 13 -246.121 -17.976 102.039 1.00 0.00 C ATOM 208 O THR A 13 -246.386 -18.649 103.035 1.00 0.00 O ATOM 209 CB THR A 13 -244.910 -19.645 100.646 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.645 -19.992 100.068 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.005 -19.731 99.591 1.00 0.00 C ATOM 0 H THR A 13 -243.246 -18.969 102.379 1.00 0.00 H new ATOM 0 HA THR A 13 -244.747 -17.501 100.435 1.00 0.00 H new ATOM 0 HB THR A 13 -245.146 -20.347 101.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.694 -20.896 99.692 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.039 -20.741 99.183 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.967 -19.491 100.044 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.795 -19.023 98.790 1.00 0.00 H new ATOM 219 N VAL A 14 -246.909 -17.016 101.599 1.00 0.00 N ATOM 220 CA VAL A 14 -248.127 -16.641 102.297 1.00 0.00 C ATOM 221 C VAL A 14 -249.358 -17.148 101.541 1.00 0.00 C ATOM 222 O VAL A 14 -249.486 -16.937 100.337 1.00 0.00 O ATOM 223 CB VAL A 14 -248.166 -15.104 102.468 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.458 -14.617 103.100 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.975 -14.648 103.288 1.00 0.00 C ATOM 0 H VAL A 14 -246.727 -16.475 100.753 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.137 -17.103 103.284 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.119 -14.666 101.471 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.430 -13.532 103.196 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.301 -14.904 102.472 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.572 -15.065 104.087 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.007 -13.565 103.405 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.007 -15.120 104.270 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.053 -14.930 102.779 1.00 0.00 H new ATOM 235 N HIS A 15 -250.244 -17.845 102.251 1.00 0.00 N ATOM 236 CA HIS A 15 -251.427 -18.457 101.633 1.00 0.00 C ATOM 237 C HIS A 15 -252.696 -17.658 101.907 1.00 0.00 C ATOM 238 O HIS A 15 -253.783 -18.065 101.509 1.00 0.00 O ATOM 239 CB HIS A 15 -251.610 -19.894 102.138 1.00 0.00 C ATOM 240 CG HIS A 15 -250.980 -20.926 101.255 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.709 -21.835 100.518 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.678 -21.194 100.997 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.884 -22.617 99.845 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.649 -22.245 100.117 1.00 0.00 N ATOM 0 H HIS A 15 -250.168 -18.002 103.256 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.258 -18.462 100.556 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.184 -19.975 103.138 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.676 -20.106 102.227 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -248.823 -20.677 101.407 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.172 -23.422 99.186 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.805 -22.671 99.734 1.00 0.00 H new ATOM 253 N GLY A 16 -252.563 -16.539 102.600 1.00 0.00 N ATOM 254 CA GLY A 16 -253.723 -15.695 102.851 1.00 0.00 C ATOM 255 C GLY A 16 -253.509 -14.269 102.382 1.00 0.00 C ATOM 256 O GLY A 16 -254.095 -13.334 102.926 1.00 0.00 O ATOM 0 H GLY A 16 -251.685 -16.198 102.992 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.592 -16.115 102.344 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.945 -15.695 103.918 1.00 0.00 H new ATOM 260 N VAL A 17 -252.668 -14.114 101.372 1.00 0.00 N ATOM 261 CA VAL A 17 -252.257 -12.807 100.880 1.00 0.00 C ATOM 262 C VAL A 17 -253.443 -11.942 100.442 1.00 0.00 C ATOM 263 O VAL A 17 -254.520 -12.446 100.113 1.00 0.00 O ATOM 264 CB VAL A 17 -251.275 -12.949 99.697 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.177 -13.932 100.022 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.993 -13.353 98.416 1.00 0.00 C ATOM 0 H VAL A 17 -252.249 -14.895 100.867 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.765 -12.310 101.716 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.824 -11.971 99.530 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.499 -14.014 99.173 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.625 -13.585 100.895 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.613 -14.908 100.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.269 -13.443 97.606 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.492 -14.311 98.565 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.733 -12.595 98.159 1.00 0.00 H new ATOM 326 N PRO A 22 -253.338 -16.994 95.130 1.00 0.00 N ATOM 327 CA PRO A 22 -253.765 -17.873 96.211 1.00 0.00 C ATOM 328 C PRO A 22 -252.672 -17.981 97.239 1.00 0.00 C ATOM 329 O PRO A 22 -252.898 -18.079 98.443 1.00 0.00 O ATOM 330 CB PRO A 22 -253.956 -19.223 95.521 1.00 0.00 C ATOM 331 CG PRO A 22 -253.656 -18.990 94.075 1.00 0.00 C ATOM 332 CD PRO A 22 -252.844 -17.753 93.983 1.00 0.00 C ATOM 0 HA PRO A 22 -254.661 -17.520 96.722 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.289 -19.975 95.942 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.974 -19.589 95.655 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -253.114 -19.837 93.654 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -254.578 -18.887 93.504 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.776 -17.957 94.056 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -253.005 -17.226 93.042 1.00 0.00 H new ATOM 340 N PHE A 23 -251.479 -17.974 96.710 1.00 0.00 N ATOM 341 CA PHE A 23 -250.275 -18.003 97.514 1.00 0.00 C ATOM 342 C PHE A 23 -249.158 -17.246 96.816 1.00 0.00 C ATOM 343 O PHE A 23 -248.918 -17.432 95.624 1.00 0.00 O ATOM 344 CB PHE A 23 -249.843 -19.449 97.822 1.00 0.00 C ATOM 345 CG PHE A 23 -249.513 -20.283 96.613 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.515 -20.899 95.879 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.194 -20.459 96.214 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.212 -21.671 94.774 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.886 -21.231 95.109 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.896 -21.838 94.389 1.00 0.00 C ATOM 0 H PHE A 23 -251.308 -17.948 95.705 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.490 -17.513 98.464 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.971 -19.421 98.475 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.641 -19.941 98.378 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.546 -20.774 96.175 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.400 -19.987 96.774 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -251.004 -22.144 94.212 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.856 -21.359 94.809 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.657 -22.442 93.526 1.00 0.00 H new ATOM 360 N THR A 24 -248.502 -16.375 97.559 1.00 0.00 N ATOM 361 CA THR A 24 -247.335 -15.677 97.061 1.00 0.00 C ATOM 362 C THR A 24 -246.369 -15.441 98.215 1.00 0.00 C ATOM 363 O THR A 24 -246.770 -15.419 99.376 1.00 0.00 O ATOM 364 CB THR A 24 -247.699 -14.350 96.346 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.543 -13.800 95.706 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.272 -13.330 97.313 1.00 0.00 C ATOM 0 H THR A 24 -248.761 -16.134 98.516 1.00 0.00 H new ATOM 0 HA THR A 24 -246.856 -16.300 96.306 1.00 0.00 H new ATOM 0 HB THR A 24 -248.460 -14.580 95.601 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.785 -12.963 95.256 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.514 -12.414 96.774 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.176 -13.731 97.772 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.538 -13.111 98.088 1.00 0.00 H new ATOM 374 N VAL A 25 -245.107 -15.278 97.888 1.00 0.00 N ATOM 375 CA VAL A 25 -244.029 -15.360 98.865 1.00 0.00 C ATOM 376 C VAL A 25 -243.262 -14.032 98.926 1.00 0.00 C ATOM 377 O VAL A 25 -242.834 -13.525 97.892 1.00 0.00 O ATOM 378 CB VAL A 25 -243.063 -16.483 98.440 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.132 -16.883 99.554 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.814 -17.689 97.897 1.00 0.00 C ATOM 0 H VAL A 25 -244.792 -15.084 96.937 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.449 -15.569 99.849 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.449 -16.080 97.635 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.470 -17.677 99.208 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.537 -16.022 99.858 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.714 -17.240 100.404 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.101 -18.461 97.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.480 -18.080 98.667 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.400 -17.391 97.028 1.00 0.00 H new ATOM 390 N PHE A 26 -243.079 -13.467 100.122 1.00 0.00 N ATOM 391 CA PHE A 26 -242.353 -12.192 100.246 1.00 0.00 C ATOM 392 C PHE A 26 -241.049 -12.370 100.994 1.00 0.00 C ATOM 393 O PHE A 26 -240.956 -13.179 101.919 1.00 0.00 O ATOM 394 CB PHE A 26 -243.191 -11.107 100.929 1.00 0.00 C ATOM 395 CG PHE A 26 -244.555 -10.936 100.316 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.623 -11.730 100.713 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.766 -9.982 99.333 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.870 -11.573 100.141 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.013 -9.823 98.757 1.00 0.00 C ATOM 400 CZ PHE A 26 -247.065 -10.619 99.162 1.00 0.00 C ATOM 0 H PHE A 26 -243.413 -13.858 101.003 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.140 -11.865 99.228 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.303 -11.354 101.985 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.656 -10.159 100.879 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.477 -12.479 101.478 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.947 -9.355 99.013 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.693 -12.196 100.459 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -246.163 -9.077 97.991 1.00 0.00 H new ATOM 0 HZ PHE A 26 -248.040 -10.496 98.714 1.00 0.00 H new ATOM 410 N THR A 27 -240.041 -11.630 100.564 1.00 0.00 N ATOM 411 CA THR A 27 -238.710 -11.745 101.126 1.00 0.00 C ATOM 412 C THR A 27 -238.577 -10.939 102.410 1.00 0.00 C ATOM 413 O THR A 27 -239.115 -9.841 102.527 1.00 0.00 O ATOM 414 CB THR A 27 -237.651 -11.268 100.121 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.238 -11.155 98.814 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.489 -12.247 100.078 1.00 0.00 C ATOM 0 H THR A 27 -240.123 -10.937 99.820 1.00 0.00 H new ATOM 0 HA THR A 27 -238.548 -12.799 101.353 1.00 0.00 H new ATOM 0 HB THR A 27 -237.280 -10.293 100.436 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.560 -10.849 98.176 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.745 -11.898 99.362 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.036 -12.317 101.067 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.852 -13.229 99.774 1.00 0.00 H new ATOM 424 N ILE A 28 -237.863 -11.500 103.363 1.00 0.00 N ATOM 425 CA ILE A 28 -237.616 -10.848 104.633 1.00 0.00 C ATOM 426 C ILE A 28 -236.154 -10.414 104.699 1.00 0.00 C ATOM 427 O ILE A 28 -235.440 -10.517 103.704 1.00 0.00 O ATOM 428 CB ILE A 28 -237.935 -11.797 105.802 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.804 -12.808 106.000 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.252 -12.523 105.529 1.00 0.00 C ATOM 431 CD1 ILE A 28 -236.988 -13.673 107.214 1.00 0.00 C ATOM 0 H ILE A 28 -237.436 -12.423 103.279 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.263 -9.975 104.715 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.031 -11.210 106.716 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.735 -13.443 105.117 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.858 -12.273 106.083 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.476 -13.194 106.358 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.055 -11.793 105.426 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.165 -13.100 104.608 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.152 -14.367 107.296 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.028 -13.046 108.105 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -237.918 -14.234 107.123 1.00 0.00 H new ATOM 443 N ASN A 29 -235.715 -9.923 105.851 1.00 0.00 N ATOM 444 CA ASN A 29 -234.314 -9.576 106.053 1.00 0.00 C ATOM 445 C ASN A 29 -233.998 -9.561 107.544 1.00 0.00 C ATOM 446 O ASN A 29 -234.801 -9.089 108.350 1.00 0.00 O ATOM 447 CB ASN A 29 -233.975 -8.219 105.419 1.00 0.00 C ATOM 448 CG ASN A 29 -234.721 -7.057 106.045 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.220 -6.394 106.954 1.00 0.00 O ATOM 450 ND2 ASN A 29 -235.920 -6.802 105.559 1.00 0.00 N ATOM 0 H ASN A 29 -236.311 -9.756 106.662 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.700 -10.331 105.562 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.903 -8.043 105.508 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.205 -8.257 104.354 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.470 -6.030 105.937 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.298 -7.376 104.805 1.00 0.00 H new ATOM 457 N GLY A 30 -232.840 -10.090 107.904 1.00 0.00 N ATOM 458 CA GLY A 30 -232.445 -10.141 109.301 1.00 0.00 C ATOM 459 C GLY A 30 -233.369 -11.016 110.127 1.00 0.00 C ATOM 460 O GLY A 30 -233.867 -12.035 109.645 1.00 0.00 O ATOM 0 H GLY A 30 -232.162 -10.487 107.254 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.426 -10.521 109.375 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.440 -9.132 109.712 1.00 0.00 H new ATOM 464 N GLY A 31 -233.600 -10.618 111.371 1.00 0.00 N ATOM 465 CA GLY A 31 -234.493 -11.362 112.236 1.00 0.00 C ATOM 466 C GLY A 31 -235.875 -10.746 112.288 1.00 0.00 C ATOM 467 O GLY A 31 -236.230 -10.082 113.264 1.00 0.00 O ATOM 0 H GLY A 31 -233.183 -9.790 111.797 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.567 -12.390 111.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.075 -11.400 113.242 1.00 0.00 H new ATOM 471 N THR A 32 -236.649 -10.947 111.230 1.00 0.00 N ATOM 472 CA THR A 32 -237.986 -10.385 111.138 1.00 0.00 C ATOM 473 C THR A 32 -238.968 -11.073 112.072 1.00 0.00 C ATOM 474 O THR A 32 -239.049 -12.306 112.103 1.00 0.00 O ATOM 475 CB THR A 32 -238.541 -10.494 109.726 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.277 -11.803 109.216 1.00 0.00 O ATOM 477 CG2 THR A 32 -237.927 -9.436 108.823 1.00 0.00 C ATOM 0 H THR A 32 -236.370 -11.499 110.419 1.00 0.00 H new ATOM 0 HA THR A 32 -237.882 -9.339 111.426 1.00 0.00 H new ATOM 0 HB THR A 32 -239.618 -10.327 109.751 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.552 -12.473 109.876 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.338 -9.532 107.818 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.156 -8.445 109.215 1.00 0.00 H new ATOM 0 HG23 THR A 32 -236.846 -9.571 108.787 1.00 0.00 H new ATOM 485 N LYS A 33 -239.710 -10.284 112.835 1.00 0.00 N ATOM 486 CA LYS A 33 -240.866 -10.809 113.536 1.00 0.00 C ATOM 487 C LYS A 33 -241.961 -11.104 112.541 1.00 0.00 C ATOM 488 O LYS A 33 -241.862 -10.737 111.376 1.00 0.00 O ATOM 489 CB LYS A 33 -241.411 -9.826 114.569 1.00 0.00 C ATOM 490 CG LYS A 33 -240.505 -9.620 115.755 1.00 0.00 C ATOM 491 CD LYS A 33 -239.617 -8.403 115.579 1.00 0.00 C ATOM 492 CE LYS A 33 -238.404 -8.461 116.496 1.00 0.00 C ATOM 493 NZ LYS A 33 -237.501 -9.601 116.171 1.00 0.00 N ATOM 0 H LYS A 33 -239.533 -9.290 112.982 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.547 -11.713 114.056 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.584 -8.865 114.085 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -242.378 -10.184 114.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.107 -9.504 116.656 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -239.885 -10.505 115.897 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.288 -8.338 114.542 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -240.190 -7.500 115.788 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -237.848 -7.527 116.418 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -238.737 -8.548 117.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -236.649 -9.549 116.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -237.995 -10.498 116.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -237.227 -9.552 115.169 1.00 0.00 H new ATOM 507 N ALA A 34 -243.020 -11.730 113.007 1.00 0.00 N ATOM 508 CA ALA A 34 -244.176 -11.971 112.159 1.00 0.00 C ATOM 509 C ALA A 34 -244.886 -10.653 111.871 1.00 0.00 C ATOM 510 O ALA A 34 -245.634 -10.529 110.910 1.00 0.00 O ATOM 511 CB ALA A 34 -245.122 -12.965 112.813 1.00 0.00 C ATOM 0 H ALA A 34 -243.108 -12.081 113.961 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.841 -12.402 111.215 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -245.981 -13.132 112.163 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.602 -13.909 112.977 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.463 -12.568 113.769 1.00 0.00 H new ATOM 517 N LYS A 35 -244.633 -9.670 112.727 1.00 0.00 N ATOM 518 CA LYS A 35 -245.252 -8.348 112.594 1.00 0.00 C ATOM 519 C LYS A 35 -244.495 -7.530 111.557 1.00 0.00 C ATOM 520 O LYS A 35 -245.090 -6.966 110.638 1.00 0.00 O ATOM 521 CB LYS A 35 -245.310 -7.602 113.943 1.00 0.00 C ATOM 522 CG LYS A 35 -243.948 -7.277 114.552 1.00 0.00 C ATOM 523 CD LYS A 35 -244.065 -6.405 115.801 1.00 0.00 C ATOM 524 CE LYS A 35 -244.588 -7.187 116.996 1.00 0.00 C ATOM 525 NZ LYS A 35 -244.615 -6.367 118.239 1.00 0.00 N ATOM 0 H LYS A 35 -244.003 -9.760 113.524 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.281 -8.487 112.263 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.862 -6.672 113.805 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.875 -8.206 114.653 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.435 -8.205 114.806 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.334 -6.766 113.811 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -243.089 -5.985 116.042 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.731 -5.567 115.597 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -245.593 -7.548 116.779 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -243.962 -8.065 117.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -244.627 -6.994 119.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -243.769 -5.763 118.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -245.467 -5.771 118.243 1.00 0.00 H new ATOM 539 N GLN A 36 -243.170 -7.496 111.698 1.00 0.00 N ATOM 540 CA GLN A 36 -242.308 -6.854 110.726 1.00 0.00 C ATOM 541 C GLN A 36 -242.456 -7.563 109.398 1.00 0.00 C ATOM 542 O GLN A 36 -242.195 -7.006 108.332 1.00 0.00 O ATOM 543 CB GLN A 36 -240.853 -6.917 111.193 1.00 0.00 C ATOM 544 CG GLN A 36 -240.619 -6.302 112.561 1.00 0.00 C ATOM 545 CD GLN A 36 -240.987 -4.838 112.606 1.00 0.00 C ATOM 546 OE1 GLN A 36 -242.127 -4.486 112.889 1.00 0.00 O ATOM 547 NE2 GLN A 36 -240.022 -3.982 112.329 1.00 0.00 N ATOM 0 H GLN A 36 -242.674 -7.912 112.486 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.592 -5.807 110.618 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.533 -7.959 111.214 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.225 -6.406 110.463 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -241.204 -6.844 113.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -239.570 -6.419 112.834 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -239.089 -4.323 112.099 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -240.209 -2.979 112.345 1.00 0.00 H new ATOM 556 N LEU A 37 -242.858 -8.813 109.473 1.00 0.00 N ATOM 557 CA LEU A 37 -243.045 -9.595 108.297 1.00 0.00 C ATOM 558 C LEU A 37 -244.393 -9.414 107.664 1.00 0.00 C ATOM 559 O LEU A 37 -244.487 -9.414 106.450 1.00 0.00 O ATOM 560 CB LEU A 37 -242.792 -11.049 108.568 1.00 0.00 C ATOM 561 CG LEU A 37 -241.869 -11.607 107.536 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.597 -11.661 106.213 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.683 -10.676 107.414 1.00 0.00 C ATOM 0 H LEU A 37 -243.059 -9.301 110.346 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.310 -9.228 107.580 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.359 -11.172 109.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.734 -11.598 108.561 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.537 -12.607 107.814 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.934 -12.067 105.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.476 -12.299 106.307 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.907 -10.656 105.927 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -239.992 -11.063 106.664 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.027 -9.686 107.114 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.174 -10.607 108.375 1.00 0.00 H new ATOM 575 N LEU A 38 -245.435 -9.288 108.454 1.00 0.00 N ATOM 576 CA LEU A 38 -246.735 -8.984 107.896 1.00 0.00 C ATOM 577 C LEU A 38 -246.571 -7.768 106.981 1.00 0.00 C ATOM 578 O LEU A 38 -247.104 -7.725 105.891 1.00 0.00 O ATOM 579 CB LEU A 38 -247.747 -8.751 109.029 1.00 0.00 C ATOM 580 CG LEU A 38 -249.226 -8.812 108.627 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.918 -7.495 108.931 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.382 -9.187 107.157 1.00 0.00 C ATOM 0 H LEU A 38 -245.411 -9.389 109.469 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.126 -9.812 107.305 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.571 -9.494 109.807 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.550 -7.774 109.471 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.705 -9.592 109.219 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.966 -7.559 108.639 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.851 -7.287 109.999 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.434 -6.693 108.374 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.441 -9.222 106.901 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.883 -8.442 106.537 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -248.933 -10.165 106.981 1.00 0.00 H new ATOM 594 N GLN A 39 -245.726 -6.852 107.412 1.00 0.00 N ATOM 595 CA GLN A 39 -245.256 -5.756 106.621 1.00 0.00 C ATOM 596 C GLN A 39 -244.651 -6.219 105.321 1.00 0.00 C ATOM 597 O GLN A 39 -245.026 -5.760 104.270 1.00 0.00 O ATOM 598 CB GLN A 39 -244.139 -5.134 107.399 1.00 0.00 C ATOM 599 CG GLN A 39 -243.639 -3.882 106.770 1.00 0.00 C ATOM 600 CD GLN A 39 -242.464 -3.264 107.509 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.286 -2.046 107.501 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.650 -4.097 108.142 1.00 0.00 N ATOM 0 H GLN A 39 -245.341 -6.860 108.356 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.090 -5.087 106.408 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.481 -4.918 108.411 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.319 -5.847 107.485 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.342 -4.094 105.743 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.452 -3.157 106.724 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.833 -5.100 108.124 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.841 -3.735 108.647 1.00 0.00 H new ATOM 611 N GLN A 40 -243.667 -7.089 105.415 1.00 0.00 N ATOM 612 CA GLN A 40 -243.006 -7.618 104.238 1.00 0.00 C ATOM 613 C GLN A 40 -243.999 -8.267 103.279 1.00 0.00 C ATOM 614 O GLN A 40 -243.784 -8.300 102.071 1.00 0.00 O ATOM 615 CB GLN A 40 -241.923 -8.601 104.657 1.00 0.00 C ATOM 616 CG GLN A 40 -240.597 -7.920 104.904 1.00 0.00 C ATOM 617 CD GLN A 40 -240.197 -7.077 103.714 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.473 -6.087 103.838 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.716 -7.449 102.555 1.00 0.00 N ATOM 0 H GLN A 40 -243.305 -7.447 106.299 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.543 -6.790 103.701 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.237 -9.120 105.563 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -241.802 -9.357 103.882 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.665 -7.293 105.793 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -239.829 -8.669 105.100 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.310 -8.277 102.504 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.522 -6.908 101.712 1.00 0.00 H new ATOM 628 N ILE A 41 -245.082 -8.750 103.843 1.00 0.00 N ATOM 629 CA ILE A 41 -246.175 -9.364 103.106 1.00 0.00 C ATOM 630 C ILE A 41 -247.042 -8.284 102.450 1.00 0.00 C ATOM 631 O ILE A 41 -247.688 -8.499 101.425 1.00 0.00 O ATOM 632 CB ILE A 41 -247.019 -10.215 104.086 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.119 -11.214 104.836 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.152 -10.940 103.391 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.070 -11.901 103.969 1.00 0.00 C ATOM 0 H ILE A 41 -245.236 -8.729 104.851 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.777 -10.003 102.318 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.471 -9.530 104.803 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.614 -10.689 105.647 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.749 -11.977 105.294 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -248.714 -11.522 104.121 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -248.814 -10.214 102.920 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -247.745 -11.607 102.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.484 -12.586 104.581 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.564 -12.458 103.173 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.411 -11.151 103.532 1.00 0.00 H new ATOM 647 N LEU A 42 -247.029 -7.123 103.074 1.00 0.00 N ATOM 648 CA LEU A 42 -247.896 -6.004 102.737 1.00 0.00 C ATOM 649 C LEU A 42 -247.227 -4.995 101.808 1.00 0.00 C ATOM 650 O LEU A 42 -247.872 -4.383 100.956 1.00 0.00 O ATOM 651 CB LEU A 42 -248.236 -5.322 104.047 1.00 0.00 C ATOM 652 CG LEU A 42 -249.104 -6.175 104.957 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.360 -5.468 106.253 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.405 -6.531 104.280 1.00 0.00 C ATOM 0 H LEU A 42 -246.399 -6.923 103.851 1.00 0.00 H new ATOM 0 HA LEU A 42 -248.774 -6.375 102.209 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.313 -5.069 104.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.751 -4.384 103.838 1.00 0.00 H new ATOM 0 HG LEU A 42 -248.568 -7.100 105.169 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.983 -6.094 106.892 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -248.412 -5.270 106.753 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -249.872 -4.525 106.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.009 -7.142 104.951 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.948 -5.619 104.032 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.199 -7.090 103.367 1.00 0.00 H new ATOM 666 N THR A 43 -245.926 -4.866 101.986 1.00 0.00 N ATOM 667 CA THR A 43 -245.157 -3.728 101.556 1.00 0.00 C ATOM 668 C THR A 43 -245.408 -3.333 100.114 1.00 0.00 C ATOM 669 O THR A 43 -245.119 -4.051 99.155 1.00 0.00 O ATOM 670 CB THR A 43 -243.645 -3.935 101.814 1.00 0.00 C ATOM 671 OG1 THR A 43 -242.915 -2.752 101.468 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.097 -5.121 101.038 1.00 0.00 C ATOM 0 H THR A 43 -245.362 -5.578 102.450 1.00 0.00 H new ATOM 0 HA THR A 43 -245.505 -2.894 102.166 1.00 0.00 H new ATOM 0 HB THR A 43 -243.522 -4.142 102.877 1.00 0.00 H new ATOM 0 HG1 THR A 43 -241.960 -2.895 101.637 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.033 -5.232 101.247 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.622 -6.027 101.339 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.242 -4.956 99.970 1.00 0.00 H new ATOM 823 N THR A 53 -253.487 -3.276 108.434 1.00 0.00 N ATOM 824 CA THR A 53 -254.513 -3.331 109.453 1.00 0.00 C ATOM 825 C THR A 53 -254.472 -4.638 110.256 1.00 0.00 C ATOM 826 O THR A 53 -253.410 -5.219 110.460 1.00 0.00 O ATOM 827 CB THR A 53 -255.899 -3.103 108.787 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.943 -3.048 109.762 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.212 -4.189 107.764 1.00 0.00 C ATOM 0 HA THR A 53 -254.328 -2.538 110.177 1.00 0.00 H new ATOM 0 HB THR A 53 -255.847 -2.143 108.273 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.802 -2.902 109.314 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.188 -3.998 107.318 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.450 -4.185 106.985 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.222 -5.161 108.257 1.00 0.00 H new ATOM 837 N ASP A 54 -255.653 -5.067 110.694 1.00 0.00 N ATOM 838 CA ASP A 54 -255.872 -6.178 111.632 1.00 0.00 C ATOM 839 C ASP A 54 -255.408 -7.534 111.120 1.00 0.00 C ATOM 840 O ASP A 54 -255.755 -8.571 111.680 1.00 0.00 O ATOM 841 CB ASP A 54 -257.355 -6.276 111.882 1.00 0.00 C ATOM 842 CG ASP A 54 -257.893 -5.140 112.729 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.259 -4.088 112.161 1.00 0.00 O ATOM 844 OD2 ASP A 54 -257.947 -5.292 113.966 1.00 0.00 O ATOM 0 H ASP A 54 -256.526 -4.634 110.394 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.287 -5.957 112.525 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.878 -6.287 110.926 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.572 -7.223 112.376 1.00 0.00 H new ATOM 849 N TYR A 55 -254.669 -7.522 110.055 1.00 0.00 N ATOM 850 CA TYR A 55 -254.143 -8.750 109.471 1.00 0.00 C ATOM 851 C TYR A 55 -253.130 -9.431 110.390 1.00 0.00 C ATOM 852 O TYR A 55 -252.376 -8.770 111.102 1.00 0.00 O ATOM 853 CB TYR A 55 -253.473 -8.455 108.141 1.00 0.00 C ATOM 854 CG TYR A 55 -254.416 -8.082 107.033 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.443 -8.932 106.667 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.272 -6.888 106.345 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.304 -8.609 105.645 1.00 0.00 C ATOM 858 CE2 TYR A 55 -255.130 -6.550 105.320 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.149 -7.414 104.971 1.00 0.00 C ATOM 860 OH TYR A 55 -257.008 -7.085 103.947 1.00 0.00 O ATOM 0 H TYR A 55 -254.405 -6.673 109.556 1.00 0.00 H new ATOM 0 HA TYR A 55 -254.989 -9.422 109.328 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.759 -7.643 108.281 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.902 -9.332 107.835 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.571 -9.866 107.193 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.475 -6.211 106.616 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.098 -9.287 105.370 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -255.006 -5.615 104.793 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.760 -6.211 103.580 1.00 0.00 H new ATOM 870 N PHE A 56 -253.122 -10.756 110.346 1.00 0.00 N ATOM 871 CA PHE A 56 -252.131 -11.563 111.053 1.00 0.00 C ATOM 872 C PHE A 56 -252.012 -12.916 110.364 1.00 0.00 C ATOM 873 O PHE A 56 -252.730 -13.186 109.420 1.00 0.00 O ATOM 874 CB PHE A 56 -252.480 -11.735 112.541 1.00 0.00 C ATOM 875 CG PHE A 56 -253.816 -12.373 112.802 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.965 -11.602 112.840 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.925 -13.741 113.013 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.195 -12.177 113.080 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.158 -14.320 113.253 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.294 -13.534 113.286 1.00 0.00 C ATOM 0 H PHE A 56 -253.802 -11.304 109.819 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.173 -11.045 111.017 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.706 -12.338 113.015 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.460 -10.756 113.021 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -254.897 -10.536 112.680 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.039 -14.358 112.990 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.082 -11.561 113.106 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.233 -15.385 113.414 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.258 -13.984 113.473 1.00 0.00 H new ATOM 890 N LEU A 57 -251.115 -13.760 110.834 1.00 0.00 N ATOM 891 CA LEU A 57 -250.835 -15.034 110.170 1.00 0.00 C ATOM 892 C LEU A 57 -251.523 -16.130 110.952 1.00 0.00 C ATOM 893 O LEU A 57 -251.958 -15.883 112.062 1.00 0.00 O ATOM 894 CB LEU A 57 -249.319 -15.314 110.102 1.00 0.00 C ATOM 895 CG LEU A 57 -248.448 -14.284 109.361 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.637 -12.910 109.951 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.980 -14.670 109.429 1.00 0.00 C ATOM 0 H LEU A 57 -250.562 -13.593 111.675 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.206 -14.994 109.146 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.945 -15.402 111.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.175 -16.284 109.626 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.761 -14.271 108.317 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.013 -12.195 109.415 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.683 -12.617 109.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.351 -12.923 111.003 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.384 -13.928 108.899 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.663 -14.713 110.471 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.839 -15.647 108.966 1.00 0.00 H new ATOM 909 N MET A 58 -251.643 -17.319 110.380 1.00 0.00 N ATOM 910 CA MET A 58 -252.224 -18.466 111.083 1.00 0.00 C ATOM 911 C MET A 58 -251.805 -19.752 110.400 1.00 0.00 C ATOM 912 O MET A 58 -251.434 -19.738 109.231 1.00 0.00 O ATOM 913 CB MET A 58 -253.753 -18.447 111.106 1.00 0.00 C ATOM 914 CG MET A 58 -254.397 -17.222 111.730 1.00 0.00 C ATOM 915 SD MET A 58 -256.160 -17.455 112.008 1.00 0.00 S ATOM 916 CE MET A 58 -256.432 -18.876 110.960 1.00 0.00 C ATOM 0 H MET A 58 -251.345 -17.521 109.425 1.00 0.00 H new ATOM 0 HA MET A 58 -251.858 -18.406 112.108 1.00 0.00 H new ATOM 0 HB2 MET A 58 -254.113 -18.539 110.081 1.00 0.00 H new ATOM 0 HB3 MET A 58 -254.099 -19.329 111.646 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.907 -16.998 112.678 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.243 -16.361 111.080 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.503 -19.037 110.836 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.976 -18.702 109.985 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.983 -19.757 111.418 1.00 0.00 H new ATOM 926 N GLU A 59 -251.853 -20.855 111.128 1.00 0.00 N ATOM 927 CA GLU A 59 -251.622 -22.158 110.532 1.00 0.00 C ATOM 928 C GLU A 59 -252.931 -22.857 110.203 1.00 0.00 C ATOM 929 O GLU A 59 -253.814 -22.976 111.053 1.00 0.00 O ATOM 930 CB GLU A 59 -250.806 -23.049 111.456 1.00 0.00 C ATOM 931 CG GLU A 59 -249.320 -22.774 111.412 1.00 0.00 C ATOM 932 CD GLU A 59 -248.541 -23.825 112.164 1.00 0.00 C ATOM 933 OE1 GLU A 59 -248.816 -25.027 111.954 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.670 -23.456 112.970 1.00 0.00 O ATOM 0 H GLU A 59 -252.049 -20.874 112.129 1.00 0.00 H new ATOM 0 HA GLU A 59 -251.066 -21.988 109.610 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -251.160 -22.918 112.478 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -250.981 -24.091 111.189 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.985 -22.744 110.375 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -249.118 -21.793 111.841 1.00 0.00 H new ATOM 1262 N ARG A 78 -254.130 -22.602 115.085 1.00 0.00 N ATOM 1263 CA ARG A 78 -253.414 -21.677 115.944 1.00 0.00 C ATOM 1264 C ARG A 78 -253.042 -20.419 115.166 1.00 0.00 C ATOM 1265 O ARG A 78 -252.512 -20.484 114.053 1.00 0.00 O ATOM 1266 CB ARG A 78 -252.181 -22.333 116.592 1.00 0.00 C ATOM 1267 CG ARG A 78 -251.086 -22.776 115.631 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.927 -23.400 116.398 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.749 -23.627 115.563 1.00 0.00 N ATOM 1270 CZ ARG A 78 -247.557 -23.990 116.040 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -247.397 -24.231 117.336 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -246.534 -24.127 115.210 1.00 0.00 N ATOM 0 HA ARG A 78 -254.076 -21.391 116.761 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.751 -21.629 117.305 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -252.512 -23.201 117.162 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -251.488 -23.496 114.918 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.731 -21.921 115.055 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -249.657 -22.750 117.230 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -250.250 -24.348 116.827 1.00 0.00 H new ATOM 0 HE ARG A 78 -248.844 -23.500 114.555 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -248.188 -24.139 117.973 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -246.483 -24.508 117.694 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -246.660 -23.955 114.212 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -245.620 -24.404 115.568 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.355 -19.274 115.750 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.166 -17.992 115.093 1.00 0.00 C ATOM 1288 C ALA A 79 -251.792 -17.401 115.436 1.00 0.00 C ATOM 1289 O ALA A 79 -251.298 -17.563 116.552 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.271 -17.034 115.512 1.00 0.00 C ATOM 0 H ALA A 79 -253.746 -19.207 116.690 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.210 -18.142 114.014 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.127 -16.073 115.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.238 -17.447 115.226 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.241 -16.894 116.593 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.175 -16.746 114.466 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.889 -16.080 114.654 1.00 0.00 C ATOM 1298 C ILE A 80 -250.034 -14.768 115.407 1.00 0.00 C ATOM 1299 O ILE A 80 -250.722 -13.848 114.961 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.176 -15.821 113.309 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.492 -17.098 112.832 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -248.159 -14.687 113.422 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.394 -17.559 113.757 1.00 0.00 C ATOM 0 H ILE A 80 -251.550 -16.659 113.522 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.281 -16.760 115.250 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.928 -15.518 112.580 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.236 -17.889 112.738 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -248.076 -16.932 111.838 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.677 -14.533 112.457 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.667 -13.771 113.724 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.406 -14.946 114.166 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -246.946 -18.472 113.364 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.632 -16.784 113.832 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.810 -17.756 114.745 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.399 -14.706 116.564 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.229 -13.449 117.243 1.00 0.00 C ATOM 1317 C GLY A 81 -247.926 -12.809 116.820 1.00 0.00 C ATOM 1318 O GLY A 81 -246.946 -13.515 116.615 1.00 0.00 O ATOM 0 H GLY A 81 -248.997 -15.511 117.045 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -250.062 -12.785 117.012 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.235 -13.605 118.322 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.883 -11.482 116.660 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.691 -10.766 116.206 1.00 0.00 C ATOM 1324 C PRO A 82 -245.442 -11.079 117.018 1.00 0.00 C ATOM 1325 O PRO A 82 -244.328 -11.051 116.491 1.00 0.00 O ATOM 1326 CB PRO A 82 -247.088 -9.299 116.355 1.00 0.00 C ATOM 1327 CG PRO A 82 -248.559 -9.316 116.190 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.997 -10.564 116.889 1.00 0.00 C ATOM 0 HA PRO A 82 -246.417 -11.052 115.191 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.799 -8.903 117.328 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -246.608 -8.675 115.601 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -249.019 -8.431 116.631 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.841 -9.330 115.137 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -249.166 -10.392 117.952 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.929 -10.951 116.477 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.634 -11.359 118.295 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.551 -11.754 119.171 1.00 0.00 C ATOM 1338 C GLU A 83 -243.970 -13.104 118.772 1.00 0.00 C ATOM 1339 O GLU A 83 -242.755 -13.318 118.829 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.069 -11.800 120.586 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.491 -10.434 121.072 1.00 0.00 C ATOM 1342 CD GLU A 83 -244.397 -9.405 120.890 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -243.307 -9.583 121.476 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -244.618 -8.419 120.149 1.00 0.00 O ATOM 0 H GLU A 83 -246.545 -11.318 118.751 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.746 -11.024 119.090 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.916 -12.483 120.641 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.296 -12.197 121.244 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -246.382 -10.116 120.530 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -245.762 -10.492 122.126 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.851 -14.011 118.385 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.454 -15.325 117.910 1.00 0.00 C ATOM 1353 C GLU A 84 -243.958 -15.229 116.472 1.00 0.00 C ATOM 1354 O GLU A 84 -244.741 -15.111 115.530 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.622 -16.302 118.015 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.114 -16.458 119.441 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.269 -17.424 119.567 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.405 -17.064 119.193 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.050 -18.548 120.065 1.00 0.00 O ATOM 0 H GLU A 84 -245.859 -13.857 118.391 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.642 -15.698 118.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.442 -15.954 117.386 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.315 -17.275 117.630 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.291 -16.801 120.068 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.420 -15.484 119.822 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.651 -15.266 116.315 1.00 0.00 N ATOM 1367 CA GLU A 85 -242.030 -15.005 115.033 1.00 0.00 C ATOM 1368 C GLU A 85 -241.953 -16.261 114.176 1.00 0.00 C ATOM 1369 O GLU A 85 -241.678 -17.357 114.668 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.640 -14.427 115.257 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.662 -13.181 116.124 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.271 -12.678 116.452 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.674 -11.971 115.616 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.765 -12.986 117.548 1.00 0.00 O ATOM 0 H GLU A 85 -241.994 -15.476 117.066 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.645 -14.286 114.493 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.008 -15.181 115.726 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -240.190 -14.188 114.294 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.217 -12.396 115.612 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.195 -13.396 117.050 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.179 -16.084 112.884 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.157 -17.185 111.930 1.00 0.00 C ATOM 1383 C ILE A 86 -240.793 -17.858 111.884 1.00 0.00 C ATOM 1384 O ILE A 86 -240.696 -19.062 111.664 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.539 -16.697 110.524 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.670 -15.500 110.114 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.011 -16.333 110.504 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.063 -14.877 108.794 1.00 0.00 C ATOM 0 H ILE A 86 -242.383 -15.176 112.466 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.891 -17.917 112.267 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.362 -17.495 109.803 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.726 -14.740 110.893 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.630 -15.822 110.057 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.287 -15.986 109.508 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.606 -17.209 110.760 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -244.200 -15.541 111.229 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.401 -14.039 108.576 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.979 -15.621 108.001 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.092 -14.522 108.851 1.00 0.00 H new ATOM 1400 N MET A 87 -239.743 -17.087 112.121 1.00 0.00 N ATOM 1401 CA MET A 87 -238.400 -17.635 112.140 1.00 0.00 C ATOM 1402 C MET A 87 -238.182 -18.486 113.380 1.00 0.00 C ATOM 1403 O MET A 87 -237.287 -19.325 113.410 1.00 0.00 O ATOM 1404 CB MET A 87 -237.343 -16.538 112.023 1.00 0.00 C ATOM 1405 CG MET A 87 -237.067 -16.163 110.576 1.00 0.00 C ATOM 1406 SD MET A 87 -236.555 -17.594 109.601 1.00 0.00 S ATOM 1407 CE MET A 87 -236.717 -16.971 107.934 1.00 0.00 C ATOM 0 H MET A 87 -239.796 -16.085 112.302 1.00 0.00 H new ATOM 0 HA MET A 87 -238.291 -18.279 111.267 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.675 -15.655 112.569 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.419 -16.874 112.493 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.963 -15.725 110.136 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.289 -15.401 110.540 1.00 0.00 H new ATOM 0 HE1 MET A 87 -236.892 -17.802 107.250 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.556 -16.278 107.885 1.00 0.00 H new ATOM 0 HE3 MET A 87 -235.801 -16.453 107.649 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.021 -18.296 114.392 1.00 0.00 N ATOM 1418 CA GLN A 88 -238.959 -19.145 115.575 1.00 0.00 C ATOM 1419 C GLN A 88 -239.582 -20.479 115.224 1.00 0.00 C ATOM 1420 O GLN A 88 -239.151 -21.540 115.679 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.708 -18.518 116.753 1.00 0.00 C ATOM 1422 CG GLN A 88 -239.113 -17.208 117.229 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.934 -16.549 118.324 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -241.158 -16.672 118.364 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -239.261 -15.852 119.225 1.00 0.00 N ATOM 0 H GLN A 88 -239.741 -17.574 114.418 1.00 0.00 H new ATOM 0 HA GLN A 88 -237.919 -19.267 115.877 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.746 -18.351 116.464 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.718 -19.225 117.583 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -238.103 -17.386 117.597 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -239.029 -16.525 116.384 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -238.246 -15.774 119.156 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -239.757 -15.392 119.989 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.599 -20.393 114.385 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.326 -21.554 113.902 1.00 0.00 C ATOM 1436 C ILE A 89 -240.458 -22.390 112.964 1.00 0.00 C ATOM 1437 O ILE A 89 -240.305 -23.600 113.141 1.00 0.00 O ATOM 1438 CB ILE A 89 -242.582 -21.104 113.152 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.324 -20.072 113.999 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -243.482 -22.290 112.821 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -243.640 -20.530 115.410 1.00 0.00 C ATOM 0 H ILE A 89 -240.947 -19.508 114.016 1.00 0.00 H new ATOM 0 HA ILE A 89 -241.603 -22.163 114.763 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.290 -20.651 112.205 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.724 -19.163 114.051 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.256 -19.811 113.498 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -244.366 -21.939 112.289 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -242.938 -22.996 112.194 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -243.787 -22.784 113.744 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.167 -19.737 115.941 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.268 -21.420 115.372 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -242.713 -20.763 115.933 1.00 0.00 H new ATOM 1453 N LEU A 90 -239.875 -21.716 111.983 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.078 -22.364 110.949 1.00 0.00 C ATOM 1455 C LEU A 90 -237.795 -22.957 111.521 1.00 0.00 C ATOM 1456 O LEU A 90 -237.327 -23.997 111.059 1.00 0.00 O ATOM 1457 CB LEU A 90 -238.765 -21.352 109.848 1.00 0.00 C ATOM 1458 CG LEU A 90 -239.999 -20.799 109.128 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -239.678 -19.472 108.463 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -240.509 -21.797 108.098 1.00 0.00 C ATOM 0 H LEU A 90 -239.941 -20.703 111.881 1.00 0.00 H new ATOM 0 HA LEU A 90 -239.653 -23.190 110.530 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.210 -20.521 110.282 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -238.111 -21.823 109.114 1.00 0.00 H new ATOM 0 HG LEU A 90 -240.782 -20.635 109.868 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -240.566 -19.095 107.957 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.358 -18.754 109.219 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -238.878 -19.613 107.736 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -241.386 -21.387 107.597 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -239.729 -21.992 107.362 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -240.778 -22.728 108.596 1.00 0.00 H new ATOM 1472 N SER A 91 -237.232 -22.307 112.532 1.00 0.00 N ATOM 1473 CA SER A 91 -236.038 -22.825 113.185 1.00 0.00 C ATOM 1474 C SER A 91 -236.368 -24.058 114.025 1.00 0.00 C ATOM 1475 O SER A 91 -235.507 -24.902 114.269 1.00 0.00 O ATOM 1476 CB SER A 91 -235.391 -21.751 114.062 1.00 0.00 C ATOM 1477 OG SER A 91 -234.963 -20.644 113.285 1.00 0.00 O ATOM 0 H SER A 91 -237.580 -21.428 112.914 1.00 0.00 H new ATOM 0 HA SER A 91 -235.331 -23.114 112.407 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.103 -21.416 114.816 1.00 0.00 H new ATOM 0 HB3 SER A 91 -234.540 -22.176 114.594 1.00 0.00 H new ATOM 0 HG SER A 91 -235.671 -19.966 113.264 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.334 -21.067 106.298 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.700 -19.750 106.810 1.00 0.00 C ATOM 1660 C ILE A 103 -250.817 -19.106 106.002 1.00 0.00 C ATOM 1661 O ILE A 103 -250.717 -18.964 104.787 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.501 -18.780 106.807 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.353 -19.340 107.655 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.926 -17.411 107.318 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.186 -18.387 107.804 1.00 0.00 C ATOM 0 HA ILE A 103 -250.040 -19.923 107.831 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.147 -18.671 105.782 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.734 -19.592 108.645 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -246.999 -20.267 107.204 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.069 -16.738 107.310 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.709 -17.010 106.675 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.305 -17.504 108.336 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.413 -18.851 108.416 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.779 -18.154 106.820 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.525 -17.469 108.283 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.860 -18.689 106.698 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.920 -17.910 106.113 1.00 0.00 C ATOM 1679 C VAL A 104 -252.899 -16.535 106.717 1.00 0.00 C ATOM 1680 O VAL A 104 -252.986 -16.380 107.936 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.312 -18.525 106.349 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.639 -19.546 105.275 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.397 -19.138 107.724 1.00 0.00 C ATOM 0 H VAL A 104 -251.990 -18.886 107.690 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.748 -17.882 105.037 1.00 0.00 H new ATOM 0 HB VAL A 104 -255.053 -17.728 106.289 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.627 -19.967 105.462 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.630 -19.062 104.298 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.896 -20.343 105.292 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.388 -19.567 107.871 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.645 -19.921 107.820 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.219 -18.370 108.476 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.738 -15.544 105.882 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.876 -14.192 106.338 1.00 0.00 C ATOM 1695 C LEU A 105 -254.358 -13.929 106.537 1.00 0.00 C ATOM 1696 O LEU A 105 -255.126 -13.840 105.582 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.302 -13.218 105.331 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.001 -11.846 105.899 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.006 -11.990 107.036 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.470 -10.924 104.813 1.00 0.00 C ATOM 0 H LEU A 105 -252.513 -15.647 104.892 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.328 -14.054 107.270 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.385 -13.638 104.918 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.004 -13.111 104.504 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.917 -11.398 106.285 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.783 -11.007 107.451 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.431 -12.624 107.814 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.088 -12.442 106.661 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.259 -9.943 105.239 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.554 -11.343 104.396 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.215 -10.824 104.024 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.745 -13.853 107.777 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.130 -13.724 108.149 1.00 0.00 C ATOM 1714 C LYS A 106 -256.421 -12.291 108.575 1.00 0.00 C ATOM 1715 O LYS A 106 -255.545 -11.429 108.522 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.455 -14.687 109.290 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.456 -16.149 108.871 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.677 -16.494 108.034 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.700 -17.969 107.671 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.997 -18.366 107.071 1.00 0.00 N ATOM 0 H LYS A 106 -254.103 -13.879 108.570 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.754 -13.971 107.290 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.728 -14.548 110.090 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.433 -14.435 109.700 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.552 -16.365 108.302 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.433 -16.782 109.758 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.582 -16.239 108.585 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.678 -15.894 107.124 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.894 -18.184 106.970 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.514 -18.566 108.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.975 -19.379 106.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.764 -18.184 107.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -259.163 -17.814 106.206 1.00 0.00 H new ATOM 1734 N THR A 107 -257.640 -12.047 109.018 1.00 0.00 N ATOM 1735 CA THR A 107 -258.033 -10.760 109.503 1.00 0.00 C ATOM 1736 C THR A 107 -258.459 -10.940 110.949 1.00 0.00 C ATOM 1737 O THR A 107 -258.897 -12.021 111.348 1.00 0.00 O ATOM 1738 CB THR A 107 -259.218 -10.180 108.698 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.365 -11.024 108.843 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.875 -10.051 107.222 1.00 0.00 C ATOM 0 H THR A 107 -258.381 -12.747 109.047 1.00 0.00 H new ATOM 0 HA THR A 107 -257.199 -10.066 109.403 1.00 0.00 H new ATOM 0 HB THR A 107 -259.434 -9.187 109.091 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.113 -10.650 108.332 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.730 -9.640 106.684 1.00 0.00 H new ATOM 0 HG22 THR A 107 -258.019 -9.387 107.104 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.630 -11.033 106.818 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.326 -9.898 111.717 1.00 0.00 N ATOM 1749 CA GLN A 108 -258.755 -9.888 113.118 1.00 0.00 C ATOM 1750 C GLN A 108 -260.280 -9.730 113.197 1.00 0.00 C ATOM 1751 O GLN A 108 -260.828 -9.237 114.177 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.041 -8.745 113.850 1.00 0.00 C ATOM 1753 CG GLN A 108 -257.722 -9.020 115.312 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.833 -8.603 116.262 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.044 -9.233 117.298 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -259.524 -7.520 115.935 1.00 0.00 N ATOM 0 H GLN A 108 -257.917 -9.018 111.404 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.492 -10.831 113.597 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.111 -8.522 113.326 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.662 -7.851 113.791 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -257.526 -10.085 115.439 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -256.807 -8.493 115.582 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -259.318 -7.026 115.067 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -260.262 -7.180 116.552 1.00 0.00 H new