USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ -176:sc= 1.18 (180deg=-0.00514) USER MOD Set 1.2: A 36 GLN : amide:sc= 0.271 K(o=1.5,f=-13!) USER MOD Single : A 9 THR OG1 : rot 48:sc= 0.426 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= -0.0728 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 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 32 THR OG1 : rot 89:sc= -3.25! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -3.09! K(o=-3.1!,f=-1) USER MOD Single : A 43 THR OG1 : rot 58:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.621 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -176:sc= -5.77! (180deg=-5.87!) USER MOD Single : A 87 MET CE :methyl -177:sc= -1.6 (180deg=-1.63!) USER MOD Single : A 88 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.11) USER MOD Single : A 91 SER OG : rot 180:sc= 0 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= -0.629 K(o=-0.63,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.977 -13.220 105.022 1.00 0.00 N ATOM 134 CA THR A 9 -233.088 -12.816 104.185 1.00 0.00 C ATOM 135 C THR A 9 -233.803 -14.038 103.616 1.00 0.00 C ATOM 136 O THR A 9 -233.407 -14.574 102.581 1.00 0.00 O ATOM 137 CB THR A 9 -232.600 -11.912 103.035 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.508 -12.546 102.350 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.147 -10.556 103.558 1.00 0.00 C ATOM 0 HA THR A 9 -233.789 -12.253 104.802 1.00 0.00 H new ATOM 0 HB THR A 9 -233.432 -11.758 102.348 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.742 -13.477 102.153 1.00 0.00 H new ATOM 0 HG21 THR A 9 -231.808 -9.940 102.725 1.00 0.00 H new ATOM 0 HG22 THR A 9 -232.980 -10.063 104.059 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.328 -10.693 104.264 1.00 0.00 H new ATOM 147 N HIS A 10 -234.827 -14.500 104.312 1.00 0.00 N ATOM 148 CA HIS A 10 -235.575 -15.670 103.870 1.00 0.00 C ATOM 149 C HIS A 10 -236.964 -15.282 103.421 1.00 0.00 C ATOM 150 O HIS A 10 -237.607 -14.433 104.020 1.00 0.00 O ATOM 151 CB HIS A 10 -235.683 -16.719 104.975 1.00 0.00 C ATOM 152 CG HIS A 10 -234.427 -17.497 105.226 1.00 0.00 C ATOM 153 ND1 HIS A 10 -234.354 -18.865 105.066 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.201 -17.105 105.646 1.00 0.00 C ATOM 155 CE1 HIS A 10 -233.139 -19.279 105.374 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.421 -18.233 105.729 1.00 0.00 N ATOM 0 H HIS A 10 -235.161 -14.087 105.183 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.027 -16.099 103.031 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.978 -16.223 105.900 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.481 -17.416 104.719 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -232.894 -16.095 105.873 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.792 -20.301 105.341 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.443 -18.257 106.019 1.00 0.00 H new ATOM 165 N ARG A 11 -237.412 -15.896 102.360 1.00 0.00 N ATOM 166 CA ARG A 11 -238.737 -15.680 101.866 1.00 0.00 C ATOM 167 C ARG A 11 -239.708 -16.653 102.509 1.00 0.00 C ATOM 168 O ARG A 11 -239.371 -17.810 102.749 1.00 0.00 O ATOM 169 CB ARG A 11 -238.749 -15.824 100.365 1.00 0.00 C ATOM 170 CG ARG A 11 -239.506 -14.696 99.739 1.00 0.00 C ATOM 171 CD ARG A 11 -239.105 -14.466 98.305 1.00 0.00 C ATOM 172 NE ARG A 11 -239.426 -15.600 97.437 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.974 -15.475 96.226 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.276 -14.272 95.751 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.208 -16.550 95.486 1.00 0.00 N ATOM 0 H ARG A 11 -236.864 -16.561 101.815 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.054 -14.669 102.124 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.727 -15.839 99.987 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.205 -16.774 100.088 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.574 -14.908 99.786 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.336 -13.785 100.312 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.608 -13.574 97.931 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -238.034 -14.271 98.259 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.219 -16.539 97.777 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.089 -13.441 96.312 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -240.695 -14.179 94.825 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.969 -17.476 95.842 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.627 -16.451 94.561 1.00 0.00 H new ATOM 189 N VAL A 12 -240.905 -16.175 102.790 1.00 0.00 N ATOM 190 CA VAL A 12 -241.924 -16.982 103.434 1.00 0.00 C ATOM 191 C VAL A 12 -243.201 -16.933 102.603 1.00 0.00 C ATOM 192 O VAL A 12 -243.730 -15.853 102.319 1.00 0.00 O ATOM 193 CB VAL A 12 -242.175 -16.502 104.884 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.307 -14.988 104.938 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.402 -17.178 105.481 1.00 0.00 C ATOM 0 H VAL A 12 -241.198 -15.221 102.580 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.582 -18.015 103.494 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.312 -16.787 105.486 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.483 -14.675 105.967 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.389 -14.529 104.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.144 -14.673 104.315 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.554 -16.822 106.500 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.278 -16.939 104.878 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.253 -18.258 105.493 1.00 0.00 H new ATOM 205 N THR A 13 -243.653 -18.098 102.158 1.00 0.00 N ATOM 206 CA THR A 13 -244.781 -18.170 101.245 1.00 0.00 C ATOM 207 C THR A 13 -246.083 -17.894 101.997 1.00 0.00 C ATOM 208 O THR A 13 -246.462 -18.647 102.896 1.00 0.00 O ATOM 209 CB THR A 13 -244.892 -19.561 100.598 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.639 -19.942 100.011 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.987 -19.567 99.539 1.00 0.00 C ATOM 0 H THR A 13 -243.256 -19.002 102.415 1.00 0.00 H new ATOM 0 HA THR A 13 -244.617 -17.422 100.469 1.00 0.00 H new ATOM 0 HB THR A 13 -245.149 -20.282 101.374 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.725 -20.830 99.605 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.054 -20.558 99.090 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.941 -19.313 100.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.751 -18.834 98.767 1.00 0.00 H new ATOM 219 N VAL A 14 -246.765 -16.833 101.625 1.00 0.00 N ATOM 220 CA VAL A 14 -247.983 -16.436 102.303 1.00 0.00 C ATOM 221 C VAL A 14 -249.213 -16.902 101.530 1.00 0.00 C ATOM 222 O VAL A 14 -249.319 -16.701 100.324 1.00 0.00 O ATOM 223 CB VAL A 14 -247.991 -14.913 102.525 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.325 -14.411 103.059 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.866 -14.549 103.474 1.00 0.00 C ATOM 0 H VAL A 14 -246.496 -16.225 100.852 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.017 -16.919 103.280 1.00 0.00 H new ATOM 0 HB VAL A 14 -247.841 -14.427 101.561 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.278 -13.331 103.198 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.115 -14.651 102.348 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.538 -14.891 104.014 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.863 -13.471 103.638 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.013 -15.061 104.425 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -245.913 -14.853 103.042 1.00 0.00 H new ATOM 235 N HIS A 15 -250.126 -17.543 102.245 1.00 0.00 N ATOM 236 CA HIS A 15 -251.297 -18.186 101.653 1.00 0.00 C ATOM 237 C HIS A 15 -252.561 -17.352 101.821 1.00 0.00 C ATOM 238 O HIS A 15 -253.625 -17.723 101.329 1.00 0.00 O ATOM 239 CB HIS A 15 -251.491 -19.561 102.297 1.00 0.00 C ATOM 240 CG HIS A 15 -250.879 -20.684 101.512 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.613 -21.578 100.766 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.586 -21.060 101.372 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.803 -22.456 100.205 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.564 -22.164 100.556 1.00 0.00 N ATOM 0 H HIS A 15 -250.078 -17.634 103.260 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.120 -18.288 100.582 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.057 -19.549 103.297 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.558 -19.750 102.415 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -248.729 -20.580 101.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.103 -23.274 99.567 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.729 -22.674 100.269 1.00 0.00 H new ATOM 253 N GLY A 16 -252.446 -16.236 102.522 1.00 0.00 N ATOM 254 CA GLY A 16 -253.602 -15.370 102.722 1.00 0.00 C ATOM 255 C GLY A 16 -253.336 -13.946 102.280 1.00 0.00 C ATOM 256 O GLY A 16 -253.844 -12.995 102.868 1.00 0.00 O ATOM 0 H GLY A 16 -251.582 -15.910 102.956 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.452 -15.768 102.167 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.879 -15.375 103.776 1.00 0.00 H new ATOM 260 N VAL A 17 -252.541 -13.809 101.233 1.00 0.00 N ATOM 261 CA VAL A 17 -252.074 -12.516 100.768 1.00 0.00 C ATOM 262 C VAL A 17 -253.222 -11.605 100.320 1.00 0.00 C ATOM 263 O VAL A 17 -254.312 -12.075 99.990 1.00 0.00 O ATOM 264 CB VAL A 17 -251.075 -12.690 99.608 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.032 -13.729 99.957 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.783 -13.051 98.306 1.00 0.00 C ATOM 0 H VAL A 17 -252.200 -14.595 100.680 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.581 -12.038 101.614 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.576 -11.733 99.455 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.335 -13.838 99.126 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.488 -13.414 100.848 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.520 -14.684 100.149 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.046 -13.166 97.511 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.326 -13.987 98.435 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.483 -12.259 98.041 1.00 0.00 H new ATOM 326 N PRO A 22 -253.039 -16.668 94.974 1.00 0.00 N ATOM 327 CA PRO A 22 -253.539 -17.576 95.995 1.00 0.00 C ATOM 328 C PRO A 22 -252.543 -17.662 97.120 1.00 0.00 C ATOM 329 O PRO A 22 -252.881 -17.725 98.303 1.00 0.00 O ATOM 330 CB PRO A 22 -253.627 -18.921 95.270 1.00 0.00 C ATOM 331 CG PRO A 22 -253.207 -18.654 93.861 1.00 0.00 C ATOM 332 CD PRO A 22 -252.430 -17.392 93.859 1.00 0.00 C ATOM 0 HA PRO A 22 -254.491 -17.263 96.425 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.977 -19.660 95.738 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.641 -19.319 95.307 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.603 -19.477 93.479 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -254.078 -18.569 93.211 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.366 -17.566 94.017 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.529 -16.852 92.917 1.00 0.00 H new ATOM 340 N PHE A 23 -251.304 -17.642 96.698 1.00 0.00 N ATOM 341 CA PHE A 23 -250.167 -17.663 97.600 1.00 0.00 C ATOM 342 C PHE A 23 -248.959 -17.021 96.931 1.00 0.00 C ATOM 343 O PHE A 23 -248.630 -17.336 95.789 1.00 0.00 O ATOM 344 CB PHE A 23 -249.849 -19.097 98.065 1.00 0.00 C ATOM 345 CG PHE A 23 -249.559 -20.083 96.962 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.591 -20.662 96.238 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.254 -20.439 96.658 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.326 -21.574 95.233 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.984 -21.352 95.657 1.00 0.00 C ATOM 350 CZ PHE A 23 -249.021 -21.920 94.943 1.00 0.00 C ATOM 0 H PHE A 23 -251.048 -17.610 95.711 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.420 -17.084 98.488 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.989 -19.062 98.734 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.692 -19.467 98.649 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.614 -20.397 96.462 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.438 -19.997 97.211 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -251.139 -22.015 94.675 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.962 -21.622 95.433 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.812 -22.633 94.160 1.00 0.00 H new ATOM 360 N THR A 24 -248.331 -16.097 97.635 1.00 0.00 N ATOM 361 CA THR A 24 -247.131 -15.440 97.145 1.00 0.00 C ATOM 362 C THR A 24 -246.161 -15.237 98.302 1.00 0.00 C ATOM 363 O THR A 24 -246.571 -15.117 99.456 1.00 0.00 O ATOM 364 CB THR A 24 -247.443 -14.099 96.429 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.244 -13.519 95.896 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.102 -13.101 97.360 1.00 0.00 C ATOM 0 H THR A 24 -248.635 -15.782 98.556 1.00 0.00 H new ATOM 0 HA THR A 24 -246.671 -16.083 96.395 1.00 0.00 H new ATOM 0 HB THR A 24 -248.136 -14.328 95.619 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.460 -12.675 95.447 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.303 -12.176 96.819 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.039 -13.515 97.733 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.438 -12.893 98.199 1.00 0.00 H new ATOM 374 N VAL A 25 -244.884 -15.215 97.986 1.00 0.00 N ATOM 375 CA VAL A 25 -243.831 -15.297 98.988 1.00 0.00 C ATOM 376 C VAL A 25 -243.074 -13.967 99.091 1.00 0.00 C ATOM 377 O VAL A 25 -242.649 -13.419 98.075 1.00 0.00 O ATOM 378 CB VAL A 25 -242.848 -16.407 98.578 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.986 -16.860 99.728 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.574 -17.578 97.940 1.00 0.00 C ATOM 0 H VAL A 25 -244.541 -15.140 97.028 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.278 -15.517 99.957 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.180 -15.978 97.831 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.309 -17.644 99.389 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.406 -16.017 100.102 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.619 -17.248 100.526 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.852 -18.346 97.661 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.289 -17.993 98.650 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.103 -17.237 97.050 1.00 0.00 H new ATOM 390 N PHE A 26 -242.908 -13.440 100.307 1.00 0.00 N ATOM 391 CA PHE A 26 -242.156 -12.189 100.487 1.00 0.00 C ATOM 392 C PHE A 26 -240.910 -12.423 101.311 1.00 0.00 C ATOM 393 O PHE A 26 -240.890 -13.283 102.196 1.00 0.00 O ATOM 394 CB PHE A 26 -242.995 -11.086 101.133 1.00 0.00 C ATOM 395 CG PHE A 26 -244.298 -10.850 100.423 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.418 -11.603 100.728 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.393 -9.879 99.444 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.614 -11.390 100.070 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.584 -9.659 98.782 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.696 -10.416 99.094 1.00 0.00 C ATOM 0 H PHE A 26 -243.275 -13.848 101.167 1.00 0.00 H new ATOM 0 HA PHE A 26 -241.877 -11.853 99.488 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.196 -11.350 102.171 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.421 -10.160 101.145 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.357 -12.366 101.490 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.526 -9.286 99.194 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.482 -11.983 100.318 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.646 -8.896 98.021 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.628 -10.247 98.576 1.00 0.00 H new ATOM 410 N THR A 27 -239.873 -11.665 101.005 1.00 0.00 N ATOM 411 CA THR A 27 -238.571 -11.881 101.596 1.00 0.00 C ATOM 412 C THR A 27 -238.407 -11.068 102.867 1.00 0.00 C ATOM 413 O THR A 27 -238.849 -9.924 102.949 1.00 0.00 O ATOM 414 CB THR A 27 -237.450 -11.511 100.611 1.00 0.00 C ATOM 415 OG1 THR A 27 -237.942 -11.588 99.264 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.275 -12.461 100.772 1.00 0.00 C ATOM 0 H THR A 27 -239.911 -10.889 100.345 1.00 0.00 H new ATOM 0 HA THR A 27 -238.499 -12.941 101.839 1.00 0.00 H new ATOM 0 HB THR A 27 -237.120 -10.494 100.823 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.225 -11.350 98.640 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.488 -12.189 100.069 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.891 -12.395 101.790 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.602 -13.481 100.573 1.00 0.00 H new ATOM 424 N ILE A 28 -237.778 -11.675 103.853 1.00 0.00 N ATOM 425 CA ILE A 28 -237.554 -11.038 105.130 1.00 0.00 C ATOM 426 C ILE A 28 -236.077 -10.691 105.276 1.00 0.00 C ATOM 427 O ILE A 28 -235.313 -10.862 104.327 1.00 0.00 O ATOM 428 CB ILE A 28 -238.003 -11.956 106.277 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.964 -13.046 106.549 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.348 -12.586 105.924 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.317 -13.924 107.721 1.00 0.00 C ATOM 0 H ILE A 28 -237.409 -12.624 103.789 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.143 -10.122 105.177 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.105 -11.359 107.183 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.856 -13.666 105.659 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.996 -12.579 106.732 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.669 -13.238 106.736 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.089 -11.801 105.774 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.247 -13.169 105.009 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.540 -14.676 107.860 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.397 -13.314 108.621 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.270 -14.418 107.531 1.00 0.00 H new ATOM 443 N ASN A 29 -235.669 -10.213 106.444 1.00 0.00 N ATOM 444 CA ASN A 29 -234.269 -9.875 106.672 1.00 0.00 C ATOM 445 C ASN A 29 -233.963 -9.860 108.162 1.00 0.00 C ATOM 446 O ASN A 29 -234.808 -9.471 108.971 1.00 0.00 O ATOM 447 CB ASN A 29 -233.913 -8.520 106.051 1.00 0.00 C ATOM 448 CG ASN A 29 -234.563 -7.360 106.774 1.00 0.00 C ATOM 449 OD1 ASN A 29 -233.994 -6.795 107.710 1.00 0.00 O ATOM 450 ND2 ASN A 29 -235.757 -6.997 106.345 1.00 0.00 N ATOM 0 H ASN A 29 -236.282 -10.051 107.243 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.661 -10.640 106.189 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.831 -8.391 106.065 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.222 -8.511 105.006 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.245 -6.221 106.792 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.192 -7.493 105.567 1.00 0.00 H new ATOM 457 N GLY A 30 -232.757 -10.290 108.511 1.00 0.00 N ATOM 458 CA GLY A 30 -232.334 -10.302 109.897 1.00 0.00 C ATOM 459 C GLY A 30 -233.186 -11.222 110.744 1.00 0.00 C ATOM 460 O GLY A 30 -233.144 -12.443 110.584 1.00 0.00 O ATOM 0 H GLY A 30 -232.059 -10.634 107.851 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.292 -10.618 109.955 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.383 -9.290 110.299 1.00 0.00 H new ATOM 464 N GLY A 31 -233.969 -10.634 111.630 1.00 0.00 N ATOM 465 CA GLY A 31 -234.844 -11.409 112.477 1.00 0.00 C ATOM 466 C GLY A 31 -236.232 -10.813 112.547 1.00 0.00 C ATOM 467 O GLY A 31 -236.630 -10.266 113.579 1.00 0.00 O ATOM 0 H GLY A 31 -234.014 -9.626 111.778 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.905 -12.429 112.099 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.422 -11.466 113.480 1.00 0.00 H new ATOM 471 N THR A 32 -236.966 -10.904 111.451 1.00 0.00 N ATOM 472 CA THR A 32 -238.321 -10.386 111.393 1.00 0.00 C ATOM 473 C THR A 32 -239.293 -11.247 112.190 1.00 0.00 C ATOM 474 O THR A 32 -239.326 -12.469 112.025 1.00 0.00 O ATOM 475 CB THR A 32 -238.830 -10.331 109.958 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.401 -11.510 109.270 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.334 -9.090 109.228 1.00 0.00 C ATOM 0 H THR A 32 -236.643 -11.335 110.585 1.00 0.00 H new ATOM 0 HA THR A 32 -238.277 -9.385 111.821 1.00 0.00 H new ATOM 0 HB THR A 32 -239.919 -10.280 109.979 1.00 0.00 H new ATOM 0 HG1 THR A 32 -239.069 -12.218 109.386 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.719 -9.089 108.208 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.683 -8.198 109.748 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.244 -9.093 109.204 1.00 0.00 H new ATOM 485 N LYS A 33 -240.087 -10.622 113.049 1.00 0.00 N ATOM 486 CA LYS A 33 -241.199 -11.325 113.664 1.00 0.00 C ATOM 487 C LYS A 33 -242.400 -11.256 112.733 1.00 0.00 C ATOM 488 O LYS A 33 -242.325 -10.647 111.667 1.00 0.00 O ATOM 489 CB LYS A 33 -241.552 -10.740 115.027 1.00 0.00 C ATOM 490 CG LYS A 33 -242.032 -9.317 114.947 1.00 0.00 C ATOM 491 CD LYS A 33 -242.177 -8.690 116.326 1.00 0.00 C ATOM 492 CE LYS A 33 -240.867 -8.698 117.100 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.860 -7.777 116.508 1.00 0.00 N ATOM 0 H LYS A 33 -239.984 -9.647 113.331 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.909 -12.363 113.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -242.325 -11.353 115.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.676 -10.787 115.675 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.331 -8.730 114.353 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.992 -9.286 114.431 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -242.529 -7.664 116.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.935 -9.231 116.892 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -241.056 -8.411 118.134 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -240.464 -9.711 117.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.962 -7.865 117.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.709 -8.023 115.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -240.204 -6.798 116.575 1.00 0.00 H new ATOM 507 N ALA A 34 -243.502 -11.843 113.150 1.00 0.00 N ATOM 508 CA ALA A 34 -244.690 -11.948 112.314 1.00 0.00 C ATOM 509 C ALA A 34 -245.276 -10.590 111.948 1.00 0.00 C ATOM 510 O ALA A 34 -245.945 -10.453 110.932 1.00 0.00 O ATOM 511 CB ALA A 34 -245.738 -12.762 113.035 1.00 0.00 C ATOM 0 H ALA A 34 -243.604 -12.261 114.075 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.389 -12.434 111.386 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.629 -12.842 112.412 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.347 -13.759 113.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.996 -12.273 113.975 1.00 0.00 H new ATOM 517 N LYS A 35 -245.028 -9.590 112.776 1.00 0.00 N ATOM 518 CA LYS A 35 -245.655 -8.306 112.614 1.00 0.00 C ATOM 519 C LYS A 35 -244.924 -7.507 111.552 1.00 0.00 C ATOM 520 O LYS A 35 -245.517 -7.015 110.590 1.00 0.00 O ATOM 521 CB LYS A 35 -245.631 -7.595 113.960 1.00 0.00 C ATOM 522 CG LYS A 35 -246.064 -6.167 113.871 1.00 0.00 C ATOM 523 CD LYS A 35 -247.472 -6.072 113.317 1.00 0.00 C ATOM 524 CE LYS A 35 -247.956 -4.635 113.216 1.00 0.00 C ATOM 525 NZ LYS A 35 -249.400 -4.561 112.853 1.00 0.00 N ATOM 0 H LYS A 35 -244.391 -9.652 113.570 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.688 -8.418 112.286 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -246.282 -8.124 114.656 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -244.622 -7.639 114.370 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -246.024 -5.707 114.858 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -245.377 -5.612 113.232 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -247.504 -6.534 112.330 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -248.150 -6.638 113.956 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -247.794 -4.129 114.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -247.366 -4.104 112.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -249.692 -3.565 112.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -249.551 -5.021 111.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -249.966 -5.045 113.579 1.00 0.00 H new ATOM 539 N GLN A 36 -243.621 -7.411 111.744 1.00 0.00 N ATOM 540 CA GLN A 36 -242.715 -6.846 110.758 1.00 0.00 C ATOM 541 C GLN A 36 -242.822 -7.621 109.456 1.00 0.00 C ATOM 542 O GLN A 36 -242.461 -7.136 108.388 1.00 0.00 O ATOM 543 CB GLN A 36 -241.278 -6.924 111.262 1.00 0.00 C ATOM 544 CG GLN A 36 -241.084 -6.373 112.660 1.00 0.00 C ATOM 545 CD GLN A 36 -239.695 -6.645 113.195 1.00 0.00 C ATOM 546 OE1 GLN A 36 -239.445 -7.696 113.792 1.00 0.00 O ATOM 547 NE2 GLN A 36 -238.794 -5.700 113.003 1.00 0.00 N ATOM 0 H GLN A 36 -243.157 -7.726 112.596 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.988 -5.804 110.591 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.954 -7.965 111.245 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.633 -6.377 110.574 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -241.265 -5.298 112.653 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -241.822 -6.816 113.329 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -239.047 -4.848 112.503 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -237.844 -5.822 113.354 1.00 0.00 H new ATOM 556 N LEU A 37 -243.265 -8.860 109.559 1.00 0.00 N ATOM 557 CA LEU A 37 -243.430 -9.678 108.395 1.00 0.00 C ATOM 558 C LEU A 37 -244.742 -9.457 107.695 1.00 0.00 C ATOM 559 O LEU A 37 -244.798 -9.486 106.469 1.00 0.00 O ATOM 560 CB LEU A 37 -243.260 -11.133 108.732 1.00 0.00 C ATOM 561 CG LEU A 37 -242.262 -11.760 107.813 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.836 -11.785 106.418 1.00 0.00 C ATOM 563 CD2 LEU A 37 -241.026 -10.902 107.820 1.00 0.00 C ATOM 0 H LEU A 37 -243.514 -9.312 110.439 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.647 -9.374 107.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.931 -11.239 109.766 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.217 -11.648 108.648 1.00 0.00 H new ATOM 0 HG LEU A 37 -242.025 -12.775 108.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.117 -12.240 105.737 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.758 -12.366 106.414 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.048 -10.766 106.094 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.278 -11.336 107.156 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.278 -9.899 107.476 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.626 -10.849 108.832 1.00 0.00 H new ATOM 575 N LEU A 38 -245.793 -9.255 108.448 1.00 0.00 N ATOM 576 CA LEU A 38 -247.048 -8.882 107.853 1.00 0.00 C ATOM 577 C LEU A 38 -246.788 -7.672 106.956 1.00 0.00 C ATOM 578 O LEU A 38 -247.303 -7.581 105.851 1.00 0.00 O ATOM 579 CB LEU A 38 -248.081 -8.599 108.958 1.00 0.00 C ATOM 580 CG LEU A 38 -249.531 -8.398 108.502 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.962 -6.954 108.695 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.707 -8.825 107.050 1.00 0.00 C ATOM 0 H LEU A 38 -245.805 -9.342 109.464 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.464 -9.684 107.243 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -248.058 -9.426 109.667 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.766 -7.707 109.499 1.00 0.00 H new ATOM 0 HG LEU A 38 -250.170 -9.029 109.120 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.994 -6.835 108.365 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.886 -6.689 109.750 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.316 -6.300 108.109 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.744 -8.673 106.749 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.053 -8.228 106.414 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.450 -9.879 106.947 1.00 0.00 H new ATOM 594 N GLN A 39 -245.896 -6.809 107.422 1.00 0.00 N ATOM 595 CA GLN A 39 -245.368 -5.705 106.679 1.00 0.00 C ATOM 596 C GLN A 39 -244.747 -6.144 105.382 1.00 0.00 C ATOM 597 O GLN A 39 -245.071 -5.626 104.326 1.00 0.00 O ATOM 598 CB GLN A 39 -244.254 -5.151 107.511 1.00 0.00 C ATOM 599 CG GLN A 39 -243.723 -3.870 106.977 1.00 0.00 C ATOM 600 CD GLN A 39 -242.580 -3.305 107.798 1.00 0.00 C ATOM 601 OE1 GLN A 39 -241.412 -3.581 107.526 1.00 0.00 O ATOM 602 NE2 GLN A 39 -242.908 -2.530 108.819 1.00 0.00 N ATOM 0 H GLN A 39 -245.514 -6.873 108.366 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.171 -5.000 106.463 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.609 -4.996 108.530 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.446 -5.881 107.563 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.384 -4.024 105.953 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.530 -3.138 106.939 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -243.889 -2.326 109.010 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -242.180 -2.137 109.415 1.00 0.00 H new ATOM 611 N GLN A 40 -243.817 -7.069 105.491 1.00 0.00 N ATOM 612 CA GLN A 40 -243.100 -7.581 104.346 1.00 0.00 C ATOM 613 C GLN A 40 -244.054 -8.110 103.288 1.00 0.00 C ATOM 614 O GLN A 40 -243.754 -8.098 102.098 1.00 0.00 O ATOM 615 CB GLN A 40 -242.128 -8.667 104.797 1.00 0.00 C ATOM 616 CG GLN A 40 -240.766 -8.115 105.158 1.00 0.00 C ATOM 617 CD GLN A 40 -240.218 -7.253 104.048 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.408 -6.355 104.272 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.704 -7.500 102.844 1.00 0.00 N ATOM 0 H GLN A 40 -243.537 -7.487 106.378 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.537 -6.765 103.893 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.545 -9.188 105.659 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.018 -9.404 104.002 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.839 -7.530 106.075 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.078 -8.937 105.358 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.374 -8.257 102.710 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.409 -6.934 102.049 1.00 0.00 H new ATOM 628 N ILE A 41 -245.203 -8.543 103.748 1.00 0.00 N ATOM 629 CA ILE A 41 -246.248 -9.087 102.906 1.00 0.00 C ATOM 630 C ILE A 41 -247.107 -7.968 102.321 1.00 0.00 C ATOM 631 O ILE A 41 -247.470 -7.984 101.146 1.00 0.00 O ATOM 632 CB ILE A 41 -247.091 -10.048 103.763 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.411 -11.423 103.844 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.501 -10.188 103.219 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.901 -11.389 104.034 1.00 0.00 C ATOM 0 H ILE A 41 -245.445 -8.528 104.739 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.815 -9.627 102.064 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.162 -9.626 104.766 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.853 -11.981 104.670 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.634 -11.975 102.931 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.068 -10.874 103.849 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -248.988 -9.213 103.215 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.462 -10.578 102.202 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.517 -12.408 104.079 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.441 -10.864 103.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.663 -10.870 104.963 1.00 0.00 H new ATOM 647 N LEU A 42 -247.420 -7.012 103.174 1.00 0.00 N ATOM 648 CA LEU A 42 -248.108 -5.789 102.798 1.00 0.00 C ATOM 649 C LEU A 42 -247.373 -5.070 101.694 1.00 0.00 C ATOM 650 O LEU A 42 -247.969 -4.533 100.764 1.00 0.00 O ATOM 651 CB LEU A 42 -248.142 -4.888 104.004 1.00 0.00 C ATOM 652 CG LEU A 42 -249.085 -5.343 105.093 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.506 -4.983 106.418 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.450 -4.715 104.916 1.00 0.00 C ATOM 0 H LEU A 42 -247.199 -7.063 104.168 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.110 -6.038 102.448 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.136 -4.816 104.417 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.429 -3.886 103.686 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.210 -6.424 105.035 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.181 -5.308 107.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.541 -5.475 106.539 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.373 -3.903 106.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.113 -5.056 105.711 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.360 -3.630 104.960 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.862 -5.006 103.950 1.00 0.00 H new ATOM 666 N THR A 43 -246.064 -5.059 101.873 1.00 0.00 N ATOM 667 CA THR A 43 -245.121 -4.323 101.072 1.00 0.00 C ATOM 668 C THR A 43 -245.435 -4.408 99.574 1.00 0.00 C ATOM 669 O THR A 43 -245.095 -5.374 98.888 1.00 0.00 O ATOM 670 CB THR A 43 -243.705 -4.854 101.375 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.324 -4.478 102.705 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.666 -4.359 100.394 1.00 0.00 C ATOM 0 H THR A 43 -245.615 -5.591 102.619 1.00 0.00 H new ATOM 0 HA THR A 43 -245.189 -3.267 101.332 1.00 0.00 H new ATOM 0 HB THR A 43 -243.745 -5.939 101.279 1.00 0.00 H new ATOM 0 HG1 THR A 43 -243.981 -4.825 103.344 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.691 -4.767 100.660 1.00 0.00 H new ATOM 0 HG22 THR A 43 -242.932 -4.683 99.388 1.00 0.00 H new ATOM 0 HG23 THR A 43 -242.625 -3.270 100.426 1.00 0.00 H new ATOM 823 N THR A 53 -253.767 -3.155 108.341 1.00 0.00 N ATOM 824 CA THR A 53 -255.021 -3.288 109.046 1.00 0.00 C ATOM 825 C THR A 53 -255.026 -4.526 109.956 1.00 0.00 C ATOM 826 O THR A 53 -253.978 -4.960 110.444 1.00 0.00 O ATOM 827 CB THR A 53 -256.186 -3.315 108.016 1.00 0.00 C ATOM 828 OG1 THR A 53 -257.463 -3.325 108.665 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.074 -4.516 107.089 1.00 0.00 C ATOM 0 HA THR A 53 -255.157 -2.428 109.702 1.00 0.00 H new ATOM 0 HB THR A 53 -256.106 -2.403 107.424 1.00 0.00 H new ATOM 0 HG1 THR A 53 -258.173 -3.340 107.990 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.902 -4.507 106.381 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.131 -4.469 106.545 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.109 -5.434 107.676 1.00 0.00 H new ATOM 837 N ASP A 54 -256.215 -5.073 110.161 1.00 0.00 N ATOM 838 CA ASP A 54 -256.495 -6.156 111.113 1.00 0.00 C ATOM 839 C ASP A 54 -255.828 -7.478 110.750 1.00 0.00 C ATOM 840 O ASP A 54 -256.168 -8.526 111.291 1.00 0.00 O ATOM 841 CB ASP A 54 -257.988 -6.395 111.127 1.00 0.00 C ATOM 842 CG ASP A 54 -258.778 -5.290 111.807 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.810 -4.157 111.279 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.374 -5.548 112.875 1.00 0.00 O ATOM 0 H ASP A 54 -257.046 -4.769 109.654 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.100 -5.839 112.078 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.339 -6.502 110.101 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.191 -7.339 111.633 1.00 0.00 H new ATOM 849 N TYR A 55 -254.924 -7.423 109.821 1.00 0.00 N ATOM 850 CA TYR A 55 -254.231 -8.612 109.335 1.00 0.00 C ATOM 851 C TYR A 55 -253.349 -9.268 110.394 1.00 0.00 C ATOM 852 O TYR A 55 -252.756 -8.598 111.242 1.00 0.00 O ATOM 853 CB TYR A 55 -253.347 -8.252 108.156 1.00 0.00 C ATOM 854 CG TYR A 55 -254.089 -7.909 106.895 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.287 -8.523 106.591 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.580 -6.972 106.008 1.00 0.00 C ATOM 857 CE1 TYR A 55 -255.966 -8.221 105.436 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.251 -6.658 104.846 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.450 -7.284 104.563 1.00 0.00 C ATOM 860 OH TYR A 55 -256.129 -6.979 103.407 1.00 0.00 O ATOM 0 H TYR A 55 -254.634 -6.557 109.367 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.010 -9.319 109.051 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.721 -7.404 108.435 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.679 -9.089 107.952 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.697 -9.253 107.273 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -252.644 -6.481 106.231 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -256.900 -8.715 105.211 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -253.843 -5.929 104.162 1.00 0.00 H new ATOM 0 HH TYR A 55 -255.631 -6.300 102.905 1.00 0.00 H new ATOM 870 N PHE A 56 -253.266 -10.591 110.306 1.00 0.00 N ATOM 871 CA PHE A 56 -252.328 -11.389 111.088 1.00 0.00 C ATOM 872 C PHE A 56 -252.048 -12.691 110.342 1.00 0.00 C ATOM 873 O PHE A 56 -252.541 -12.884 109.241 1.00 0.00 O ATOM 874 CB PHE A 56 -252.861 -11.679 112.501 1.00 0.00 C ATOM 875 CG PHE A 56 -254.188 -12.393 112.536 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.257 -13.780 112.539 1.00 0.00 C ATOM 877 CD2 PHE A 56 -255.367 -11.670 112.576 1.00 0.00 C ATOM 878 CE1 PHE A 56 -255.481 -14.426 112.578 1.00 0.00 C ATOM 879 CE2 PHE A 56 -256.589 -12.311 112.616 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.649 -13.687 112.616 1.00 0.00 C ATOM 0 H PHE A 56 -253.854 -11.145 109.684 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.405 -10.823 111.209 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -252.126 -12.280 113.036 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.956 -10.736 113.040 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -253.347 -14.361 112.511 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -255.331 -10.591 112.576 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -255.523 -15.505 112.579 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -257.500 -11.732 112.647 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.606 -14.187 112.646 1.00 0.00 H new ATOM 890 N LEU A 57 -251.256 -13.574 110.924 1.00 0.00 N ATOM 891 CA LEU A 57 -250.906 -14.835 110.277 1.00 0.00 C ATOM 892 C LEU A 57 -251.519 -15.965 111.058 1.00 0.00 C ATOM 893 O LEU A 57 -252.033 -15.740 112.140 1.00 0.00 O ATOM 894 CB LEU A 57 -249.385 -15.052 110.222 1.00 0.00 C ATOM 895 CG LEU A 57 -248.567 -13.998 109.480 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.729 -12.653 110.141 1.00 0.00 C ATOM 897 CD2 LEU A 57 -247.105 -14.390 109.448 1.00 0.00 C ATOM 0 H LEU A 57 -250.840 -13.444 111.846 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.283 -14.803 109.255 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -249.013 -15.113 111.245 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.196 -16.019 109.756 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.933 -13.933 108.455 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.141 -11.910 109.603 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.780 -12.364 110.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.383 -12.711 111.173 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.536 -13.628 108.915 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.729 -14.477 110.467 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.996 -15.347 108.938 1.00 0.00 H new ATOM 909 N MET A 58 -251.514 -17.163 110.500 1.00 0.00 N ATOM 910 CA MET A 58 -251.856 -18.363 111.253 1.00 0.00 C ATOM 911 C MET A 58 -251.204 -19.562 110.588 1.00 0.00 C ATOM 912 O MET A 58 -250.891 -19.517 109.397 1.00 0.00 O ATOM 913 CB MET A 58 -253.365 -18.630 111.313 1.00 0.00 C ATOM 914 CG MET A 58 -254.272 -17.417 111.310 1.00 0.00 C ATOM 915 SD MET A 58 -255.990 -17.890 111.559 1.00 0.00 S ATOM 916 CE MET A 58 -255.955 -19.467 110.721 1.00 0.00 C ATOM 0 H MET A 58 -251.276 -17.334 109.523 1.00 0.00 H new ATOM 0 HA MET A 58 -251.500 -18.207 112.271 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.633 -19.257 110.463 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.573 -19.208 112.214 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.964 -16.727 112.096 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.171 -16.887 110.363 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.958 -19.893 110.704 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.603 -19.328 109.699 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.282 -20.144 111.248 1.00 0.00 H new ATOM 926 N GLU A 59 -250.989 -20.618 111.351 1.00 0.00 N ATOM 927 CA GLU A 59 -250.553 -21.882 110.783 1.00 0.00 C ATOM 928 C GLU A 59 -251.765 -22.786 110.557 1.00 0.00 C ATOM 929 O GLU A 59 -252.502 -23.104 111.494 1.00 0.00 O ATOM 930 CB GLU A 59 -249.527 -22.584 111.691 1.00 0.00 C ATOM 931 CG GLU A 59 -250.016 -22.819 113.112 1.00 0.00 C ATOM 932 CD GLU A 59 -249.174 -23.824 113.877 1.00 0.00 C ATOM 933 OE1 GLU A 59 -248.084 -23.458 114.360 1.00 0.00 O ATOM 934 OE2 GLU A 59 -249.613 -24.985 114.018 1.00 0.00 O ATOM 0 H GLU A 59 -251.109 -20.626 112.364 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.065 -21.679 109.830 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -249.260 -23.543 111.247 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -248.617 -21.984 111.725 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -250.017 -21.871 113.650 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -251.048 -23.169 113.081 1.00 0.00 H new ATOM 1262 N ARG A 78 -252.689 -22.667 115.336 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.111 -21.515 115.994 1.00 0.00 C ATOM 1264 C ARG A 78 -252.180 -20.276 115.111 1.00 0.00 C ATOM 1265 O ARG A 78 -251.594 -20.230 114.030 1.00 0.00 O ATOM 1266 CB ARG A 78 -250.665 -21.802 116.402 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.026 -20.662 117.169 1.00 0.00 C ATOM 1268 CD ARG A 78 -250.819 -20.338 118.422 1.00 0.00 C ATOM 1269 NE ARG A 78 -250.557 -18.985 118.888 1.00 0.00 N ATOM 1270 CZ ARG A 78 -251.433 -18.241 119.561 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -252.617 -18.738 119.903 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -251.122 -16.995 119.874 1.00 0.00 N ATOM 0 HA ARG A 78 -252.696 -21.316 116.892 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -250.639 -22.704 117.014 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.075 -22.006 115.508 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -249.004 -20.929 117.440 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -249.967 -19.779 116.533 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -251.884 -20.454 118.219 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -250.565 -21.049 119.208 1.00 0.00 H new ATOM 0 HE ARG A 78 -249.643 -18.580 118.686 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -252.860 -19.696 119.650 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -253.282 -18.162 120.418 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -250.218 -16.611 119.600 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -251.786 -16.418 120.389 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.925 -19.285 115.573 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.958 -17.987 114.921 1.00 0.00 C ATOM 1288 C ALA A 79 -251.725 -17.190 115.358 1.00 0.00 C ATOM 1289 O ALA A 79 -251.448 -17.072 116.548 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.234 -17.247 115.288 1.00 0.00 C ATOM 0 H ALA A 79 -253.517 -19.356 116.401 1.00 0.00 H new ATOM 0 HA ALA A 79 -252.945 -18.113 113.838 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.247 -16.276 114.793 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.098 -17.829 114.967 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.274 -17.104 116.368 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.995 -16.652 114.401 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.716 -16.002 114.666 1.00 0.00 C ATOM 1298 C ILE A 80 -249.866 -14.570 115.164 1.00 0.00 C ATOM 1299 O ILE A 80 -250.511 -13.735 114.522 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.821 -16.005 113.428 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.618 -17.434 112.942 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.479 -15.372 113.759 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.567 -17.535 111.876 1.00 0.00 C ATOM 0 H ILE A 80 -251.267 -16.650 113.418 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.252 -16.589 115.459 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.300 -15.426 112.638 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -248.337 -18.065 113.785 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -249.561 -17.820 112.555 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -246.846 -15.377 112.872 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.633 -14.345 114.089 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -246.995 -15.940 114.554 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.462 -18.575 111.565 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -247.858 -16.928 111.019 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -246.615 -17.176 112.268 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.276 -14.304 116.322 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.154 -12.946 116.811 1.00 0.00 C ATOM 1317 C GLY A 81 -247.739 -12.425 116.625 1.00 0.00 C ATOM 1318 O GLY A 81 -246.861 -13.174 116.210 1.00 0.00 O ATOM 0 H GLY A 81 -248.876 -15.013 116.936 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.855 -12.301 116.282 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.423 -12.910 117.867 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.480 -11.144 116.929 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.159 -10.536 116.769 1.00 0.00 C ATOM 1324 C PRO A 82 -245.102 -11.166 117.668 1.00 0.00 C ATOM 1325 O PRO A 82 -243.942 -11.294 117.272 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.380 -9.067 117.139 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.851 -8.875 117.036 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.434 -10.184 117.460 1.00 0.00 C ATOM 0 HA PRO A 82 -245.779 -10.676 115.757 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.021 -8.853 118.146 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.844 -8.402 116.462 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.191 -8.063 117.679 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.147 -8.620 116.018 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.521 -10.257 118.544 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.432 -10.335 117.049 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.509 -11.545 118.874 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.636 -12.217 119.820 1.00 0.00 C ATOM 1338 C GLU A 83 -244.046 -13.487 119.216 1.00 0.00 C ATOM 1339 O GLU A 83 -242.874 -13.800 119.410 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.422 -12.560 121.072 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.776 -11.352 121.920 1.00 0.00 C ATOM 1342 CD GLU A 83 -246.637 -10.327 121.212 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -247.638 -10.713 120.581 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -246.319 -9.124 121.298 1.00 0.00 O ATOM 0 H GLU A 83 -246.456 -11.393 119.221 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.813 -11.547 120.070 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.340 -13.073 120.785 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.842 -13.259 121.675 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -246.297 -11.691 122.816 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -244.855 -10.871 122.249 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.879 -14.208 118.484 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.479 -15.449 117.848 1.00 0.00 C ATOM 1353 C GLU A 84 -243.777 -15.169 116.526 1.00 0.00 C ATOM 1354 O GLU A 84 -244.412 -14.871 115.513 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.710 -16.318 117.641 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.467 -16.551 118.935 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.839 -17.138 118.722 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -247.950 -18.371 118.574 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -248.818 -16.361 118.718 1.00 0.00 O ATOM 0 H GLU A 84 -245.851 -13.948 118.315 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.773 -15.978 118.488 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.371 -15.844 116.915 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.410 -17.277 117.219 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.888 -17.219 119.572 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.562 -15.605 119.468 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.459 -15.242 116.552 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.653 -14.925 115.388 1.00 0.00 C ATOM 1368 C GLU A 85 -241.609 -16.114 114.430 1.00 0.00 C ATOM 1369 O GLU A 85 -241.254 -17.240 114.807 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.262 -14.487 115.844 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.325 -13.395 116.910 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.965 -12.860 117.312 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.191 -13.600 117.952 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.663 -11.692 116.991 1.00 0.00 O ATOM 0 H GLU A 85 -241.921 -15.520 117.373 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.100 -14.098 114.836 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.722 -15.348 116.239 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.697 -14.123 114.986 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.935 -12.571 116.539 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.826 -13.790 117.794 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.980 -15.854 113.184 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.243 -16.916 112.221 1.00 0.00 C ATOM 1383 C ILE A 86 -241.002 -17.714 111.859 1.00 0.00 C ATOM 1384 O ILE A 86 -241.102 -18.897 111.551 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.889 -16.375 110.936 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.967 -15.373 110.239 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.221 -15.730 111.276 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.475 -14.932 108.887 1.00 0.00 C ATOM 0 H ILE A 86 -242.106 -14.912 112.814 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.941 -17.588 112.721 1.00 0.00 H new ATOM 0 HB ILE A 86 -243.055 -17.204 110.248 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.846 -14.497 110.877 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.980 -15.820 110.120 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.682 -15.345 110.366 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.879 -16.471 111.730 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -244.060 -14.910 111.976 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.774 -14.222 108.449 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.570 -15.799 108.233 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.449 -14.456 109.002 1.00 0.00 H new ATOM 1400 N MET A 87 -239.832 -17.096 111.913 1.00 0.00 N ATOM 1401 CA MET A 87 -238.610 -17.813 111.588 1.00 0.00 C ATOM 1402 C MET A 87 -238.371 -18.912 112.616 1.00 0.00 C ATOM 1403 O MET A 87 -237.720 -19.919 112.335 1.00 0.00 O ATOM 1404 CB MET A 87 -237.415 -16.861 111.502 1.00 0.00 C ATOM 1405 CG MET A 87 -236.130 -17.527 111.030 1.00 0.00 C ATOM 1406 SD MET A 87 -236.363 -18.552 109.556 1.00 0.00 S ATOM 1407 CE MET A 87 -237.103 -17.382 108.418 1.00 0.00 C ATOM 0 H MET A 87 -239.703 -16.118 112.174 1.00 0.00 H new ATOM 0 HA MET A 87 -238.723 -18.273 110.606 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.661 -16.045 110.822 1.00 0.00 H new ATOM 0 HB3 MET A 87 -237.244 -16.418 112.483 1.00 0.00 H new ATOM 0 HG2 MET A 87 -235.386 -16.759 110.818 1.00 0.00 H new ATOM 0 HG3 MET A 87 -235.730 -18.144 111.835 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.350 -17.889 107.485 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.011 -16.970 108.859 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.399 -16.575 108.217 1.00 0.00 H new ATOM 1417 N GLN A 88 -238.954 -18.739 113.797 1.00 0.00 N ATOM 1418 CA GLN A 88 -238.875 -19.754 114.835 1.00 0.00 C ATOM 1419 C GLN A 88 -239.861 -20.854 114.506 1.00 0.00 C ATOM 1420 O GLN A 88 -239.606 -22.038 114.716 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.195 -19.163 116.203 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.271 -18.033 116.598 1.00 0.00 C ATOM 1423 CD GLN A 88 -238.697 -17.356 117.883 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -237.866 -16.857 118.641 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -239.998 -17.323 118.131 1.00 0.00 N ATOM 0 H GLN A 88 -239.484 -17.907 114.057 1.00 0.00 H new ATOM 0 HA GLN A 88 -237.861 -20.152 114.872 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.223 -18.799 116.203 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.136 -19.951 116.954 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.259 -18.420 116.714 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.241 -17.296 115.796 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -240.653 -17.749 117.476 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -240.345 -16.871 118.977 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.992 -20.424 113.968 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.060 -21.330 113.577 1.00 0.00 C ATOM 1436 C ILE A 89 -241.592 -22.298 112.496 1.00 0.00 C ATOM 1437 O ILE A 89 -241.743 -23.510 112.631 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.271 -20.545 113.066 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.600 -19.440 114.065 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.469 -21.466 112.852 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -243.814 -19.922 115.488 1.00 0.00 C ATOM 0 H ILE A 89 -241.195 -19.440 113.791 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.346 -21.902 114.460 1.00 0.00 H new ATOM 0 HB ILE A 89 -243.032 -20.099 112.100 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.791 -18.710 114.060 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.499 -18.922 113.731 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.316 -20.883 112.489 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.214 -22.231 112.118 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.735 -21.943 113.796 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.043 -19.071 116.130 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.644 -20.628 115.512 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -242.909 -20.413 115.846 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.995 -21.755 111.434 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.474 -22.571 110.339 1.00 0.00 C ATOM 1455 C LEU A 90 -239.310 -23.435 110.816 1.00 0.00 C ATOM 1456 O LEU A 90 -239.125 -24.559 110.349 1.00 0.00 O ATOM 1457 CB LEU A 90 -240.022 -21.704 109.153 1.00 0.00 C ATOM 1458 CG LEU A 90 -241.139 -21.155 108.248 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -242.078 -22.264 107.811 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.918 -20.046 108.932 1.00 0.00 C ATOM 0 H LEU A 90 -240.861 -20.752 111.310 1.00 0.00 H new ATOM 0 HA LEU A 90 -241.286 -23.216 110.003 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.451 -20.861 109.543 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.341 -22.293 108.538 1.00 0.00 H new ATOM 0 HG LEU A 90 -240.661 -20.734 107.364 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -242.858 -21.850 107.173 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -241.518 -23.018 107.257 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -242.533 -22.722 108.689 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.698 -19.683 108.263 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -242.373 -20.431 109.845 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.243 -19.227 109.180 1.00 0.00 H new ATOM 1472 N SER A 91 -238.536 -22.908 111.757 1.00 0.00 N ATOM 1473 CA SER A 91 -237.408 -23.636 112.322 1.00 0.00 C ATOM 1474 C SER A 91 -237.893 -24.829 113.150 1.00 0.00 C ATOM 1475 O SER A 91 -237.184 -25.824 113.304 1.00 0.00 O ATOM 1476 CB SER A 91 -236.558 -22.693 113.182 1.00 0.00 C ATOM 1477 OG SER A 91 -235.382 -23.328 113.659 1.00 0.00 O ATOM 0 H SER A 91 -238.670 -21.975 112.146 1.00 0.00 H new ATOM 0 HA SER A 91 -236.795 -24.019 111.507 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.285 -21.815 112.597 1.00 0.00 H new ATOM 0 HB3 SER A 91 -237.149 -22.341 114.028 1.00 0.00 H new ATOM 0 HG SER A 91 -234.866 -22.696 114.201 1.00 0.00 H new ATOM 1658 N ILE A 103 -248.809 -20.563 105.940 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.102 -19.323 106.635 1.00 0.00 C ATOM 1660 C ILE A 103 -250.323 -18.680 106.012 1.00 0.00 C ATOM 1661 O ILE A 103 -250.295 -18.299 104.849 1.00 0.00 O ATOM 1662 CB ILE A 103 -247.927 -18.324 106.544 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -246.663 -18.914 107.177 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.294 -17.005 107.210 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.798 -19.187 108.661 1.00 0.00 C ATOM 0 HA ILE A 103 -249.274 -19.563 107.684 1.00 0.00 H new ATOM 0 HB ILE A 103 -247.723 -18.132 105.491 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -246.411 -19.844 106.667 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -245.832 -18.227 107.017 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.454 -16.314 107.136 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.163 -16.575 106.711 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -248.528 -17.180 108.260 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.865 -19.604 109.041 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -247.019 -18.256 109.184 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -247.607 -19.898 108.828 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.385 -18.551 106.770 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.575 -17.935 106.271 1.00 0.00 C ATOM 1679 C VAL A 104 -252.664 -16.523 106.814 1.00 0.00 C ATOM 1680 O VAL A 104 -252.837 -16.311 108.014 1.00 0.00 O ATOM 1681 CB VAL A 104 -253.840 -18.738 106.646 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -253.858 -19.071 108.103 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -255.081 -17.988 106.235 1.00 0.00 C ATOM 0 H VAL A 104 -251.442 -18.868 107.738 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.523 -17.913 105.182 1.00 0.00 H new ATOM 0 HB VAL A 104 -253.820 -19.682 106.101 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -254.760 -19.636 108.336 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -252.981 -19.669 108.350 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.846 -18.151 108.687 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.963 -18.568 106.507 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -255.109 -17.025 106.744 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -255.069 -17.829 105.157 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.471 -15.559 105.945 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.656 -14.183 106.326 1.00 0.00 C ATOM 1695 C LEU A 105 -254.144 -13.934 106.462 1.00 0.00 C ATOM 1696 O LEU A 105 -254.891 -13.949 105.483 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.076 -13.249 105.287 1.00 0.00 C ATOM 1698 CG LEU A 105 -251.764 -11.867 105.818 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.619 -11.965 106.805 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.439 -10.916 104.681 1.00 0.00 C ATOM 0 H LEU A 105 -252.188 -15.703 104.976 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.142 -13.993 107.268 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.163 -13.689 104.885 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.779 -13.160 104.458 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.638 -11.465 106.331 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.387 -10.973 107.193 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -250.904 -12.619 107.629 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -249.741 -12.373 106.304 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.218 -9.928 105.085 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.572 -11.286 104.133 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.293 -10.849 104.007 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.568 -13.749 107.678 1.00 0.00 N ATOM 1713 CA LYS A 106 -255.967 -13.618 107.991 1.00 0.00 C ATOM 1714 C LYS A 106 -256.293 -12.180 108.356 1.00 0.00 C ATOM 1715 O LYS A 106 -255.423 -11.308 108.365 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.325 -14.545 109.157 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.107 -16.024 108.865 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.291 -16.646 108.144 1.00 0.00 C ATOM 1719 CE LYS A 106 -258.526 -16.656 109.018 1.00 0.00 C ATOM 1720 NZ LYS A 106 -259.642 -17.414 108.399 1.00 0.00 N ATOM 0 H LYS A 106 -253.951 -13.684 108.488 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.552 -13.898 107.115 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.729 -14.265 110.026 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.370 -14.389 109.424 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.210 -16.145 108.258 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -255.933 -16.556 109.800 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -257.495 -16.090 107.229 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.044 -17.666 107.848 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -258.282 -17.096 109.985 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -258.845 -15.631 109.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -260.467 -17.395 109.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.894 -16.980 107.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -259.348 -18.399 108.243 1.00 0.00 H new ATOM 1734 N THR A 107 -257.542 -11.959 108.674 1.00 0.00 N ATOM 1735 CA THR A 107 -258.024 -10.687 109.100 1.00 0.00 C ATOM 1736 C THR A 107 -258.639 -10.910 110.467 1.00 0.00 C ATOM 1737 O THR A 107 -259.143 -12.000 110.745 1.00 0.00 O ATOM 1738 CB THR A 107 -259.105 -10.143 108.141 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.174 -11.091 108.025 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.529 -9.866 106.763 1.00 0.00 C ATOM 0 H THR A 107 -258.263 -12.680 108.641 1.00 0.00 H new ATOM 0 HA THR A 107 -257.212 -9.960 109.119 1.00 0.00 H new ATOM 0 HB THR A 107 -259.481 -9.207 108.554 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.858 -10.740 107.417 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.314 -9.484 106.110 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.732 -9.126 106.844 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.126 -10.789 106.345 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.589 -9.917 111.316 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.204 -9.996 112.644 1.00 0.00 C ATOM 1750 C GLN A 108 -260.733 -9.944 112.559 1.00 0.00 C ATOM 1751 O GLN A 108 -261.417 -9.576 113.517 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.662 -8.882 113.542 1.00 0.00 C ATOM 1753 CG GLN A 108 -257.251 -9.152 114.051 1.00 0.00 C ATOM 1754 CD GLN A 108 -256.648 -7.991 114.820 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -255.429 -7.799 114.824 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -257.490 -7.210 115.478 1.00 0.00 N ATOM 0 H GLN A 108 -258.127 -9.029 111.122 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.940 -10.957 113.085 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -258.668 -7.943 112.988 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.330 -8.754 114.394 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -257.268 -10.032 114.694 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -256.607 -9.389 113.204 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -258.491 -7.402 115.450 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -257.137 -6.416 116.013 1.00 0.00 H new