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 Single : A 9 THR OG1 : rot 31:sc= 0.211 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= -0.114 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.22) 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= -0.525 K(o=-0.52,f=-6.3!) USER MOD Single : A 32 THR OG1 : rot 40:sc= -4.79! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.726 F(o=-2.5,f=-0.73) USER MOD Single : A 43 THR OG1 : rot 58:sc= 1.18 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -177:sc= -3.26! (180deg=-3.44!) USER MOD Single : A 87 MET CE :methyl -108:sc= -3.81! (180deg=-6.07!) USER MOD Single : A 88 GLN : amide:sc= 0.158 K(o=0.16,f=-0.59) USER MOD Single : A 91 SER OG : rot 65:sc= 1.23 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= 0.636 K(o=0.64,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.787 -12.634 104.648 1.00 0.00 N ATOM 134 CA THR A 9 -233.072 -12.546 103.992 1.00 0.00 C ATOM 135 C THR A 9 -233.646 -13.946 103.763 1.00 0.00 C ATOM 136 O THR A 9 -232.985 -14.812 103.191 1.00 0.00 O ATOM 137 CB THR A 9 -232.941 -11.815 102.646 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.958 -12.469 101.825 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.542 -10.363 102.850 1.00 0.00 C ATOM 0 HA THR A 9 -233.747 -11.982 104.636 1.00 0.00 H new ATOM 0 HB THR A 9 -233.912 -11.843 102.151 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.950 -13.428 102.025 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.456 -9.870 101.882 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.300 -9.858 103.449 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.583 -10.318 103.366 1.00 0.00 H new ATOM 147 N HIS A 10 -234.860 -14.164 104.237 1.00 0.00 N ATOM 148 CA HIS A 10 -235.560 -15.433 104.036 1.00 0.00 C ATOM 149 C HIS A 10 -236.950 -15.153 103.503 1.00 0.00 C ATOM 150 O HIS A 10 -237.584 -14.201 103.913 1.00 0.00 O ATOM 151 CB HIS A 10 -235.676 -16.233 105.343 1.00 0.00 C ATOM 152 CG HIS A 10 -234.370 -16.633 105.961 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.616 -17.696 105.514 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.698 -16.121 107.018 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.543 -17.822 106.270 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.567 -16.879 107.191 1.00 0.00 N ATOM 0 H HIS A 10 -235.391 -13.475 104.770 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.985 -16.027 103.325 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.236 -15.639 106.066 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.260 -17.133 105.150 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.997 -15.272 107.615 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.774 -18.571 106.154 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.861 -16.736 107.913 1.00 0.00 H new ATOM 165 N ARG A 11 -237.423 -15.948 102.578 1.00 0.00 N ATOM 166 CA ARG A 11 -238.735 -15.730 102.041 1.00 0.00 C ATOM 167 C ARG A 11 -239.760 -16.637 102.701 1.00 0.00 C ATOM 168 O ARG A 11 -239.464 -17.784 103.038 1.00 0.00 O ATOM 169 CB ARG A 11 -238.713 -15.928 100.548 1.00 0.00 C ATOM 170 CG ARG A 11 -239.337 -14.753 99.857 1.00 0.00 C ATOM 171 CD ARG A 11 -238.800 -14.565 98.460 1.00 0.00 C ATOM 172 NE ARG A 11 -239.041 -15.732 97.615 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.652 -15.680 96.432 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.050 -14.513 95.940 1.00 0.00 N ATOM 175 NH2 ARG A 11 -239.860 -16.798 95.748 1.00 0.00 N ATOM 0 H ARG A 11 -236.922 -16.745 102.186 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.032 -14.703 102.254 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.686 -16.056 100.207 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.251 -16.839 100.287 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.417 -14.890 99.814 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.153 -13.851 100.440 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.266 -13.689 98.008 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -237.729 -14.368 98.508 1.00 0.00 H new ATOM 0 HE ARG A 11 -238.723 -16.641 97.951 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -239.888 -13.655 96.468 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -240.518 -14.474 95.034 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.553 -17.693 96.128 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.327 -16.762 94.842 1.00 0.00 H new ATOM 189 N VAL A 12 -240.962 -16.111 102.882 1.00 0.00 N ATOM 190 CA VAL A 12 -242.031 -16.839 103.538 1.00 0.00 C ATOM 191 C VAL A 12 -243.279 -16.827 102.659 1.00 0.00 C ATOM 192 O VAL A 12 -243.800 -15.764 102.303 1.00 0.00 O ATOM 193 CB VAL A 12 -242.328 -16.248 104.937 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.442 -14.734 104.871 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.589 -16.857 105.525 1.00 0.00 C ATOM 0 H VAL A 12 -241.220 -15.172 102.579 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.715 -17.872 103.682 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.494 -16.498 105.592 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.651 -14.341 105.866 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.505 -14.314 104.504 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.252 -14.459 104.195 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.777 -16.426 106.508 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.434 -16.647 104.869 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.462 -17.935 105.620 1.00 0.00 H new ATOM 205 N THR A 13 -243.712 -18.016 102.257 1.00 0.00 N ATOM 206 CA THR A 13 -244.835 -18.154 101.345 1.00 0.00 C ATOM 207 C THR A 13 -246.149 -17.891 102.088 1.00 0.00 C ATOM 208 O THR A 13 -246.468 -18.578 103.058 1.00 0.00 O ATOM 209 CB THR A 13 -244.888 -19.575 100.751 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.599 -19.951 100.248 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.914 -19.644 99.632 1.00 0.00 C ATOM 0 H THR A 13 -243.298 -18.901 102.551 1.00 0.00 H new ATOM 0 HA THR A 13 -244.703 -17.429 100.541 1.00 0.00 H new ATOM 0 HB THR A 13 -245.179 -20.267 101.541 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.645 -20.856 99.875 1.00 0.00 H new ATOM 0 HG21 THR A 13 -245.939 -20.654 99.223 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.898 -19.387 100.024 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.642 -18.941 98.845 1.00 0.00 H new ATOM 219 N VAL A 14 -246.902 -16.910 101.634 1.00 0.00 N ATOM 220 CA VAL A 14 -248.126 -16.511 102.309 1.00 0.00 C ATOM 221 C VAL A 14 -249.358 -16.866 101.473 1.00 0.00 C ATOM 222 O VAL A 14 -249.395 -16.620 100.272 1.00 0.00 O ATOM 223 CB VAL A 14 -248.067 -15.000 102.633 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.401 -14.451 103.108 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.991 -14.748 103.676 1.00 0.00 C ATOM 0 H VAL A 14 -246.688 -16.370 100.796 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.214 -17.061 103.246 1.00 0.00 H new ATOM 0 HB VAL A 14 -247.823 -14.474 101.710 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.301 -13.387 103.321 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.152 -14.597 102.331 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.709 -14.975 104.013 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.949 -13.683 103.905 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.226 -15.305 104.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.026 -15.075 103.289 1.00 0.00 H new ATOM 235 N HIS A 15 -250.346 -17.483 102.118 1.00 0.00 N ATOM 236 CA HIS A 15 -251.559 -17.955 101.442 1.00 0.00 C ATOM 237 C HIS A 15 -252.719 -16.983 101.602 1.00 0.00 C ATOM 238 O HIS A 15 -253.690 -17.041 100.858 1.00 0.00 O ATOM 239 CB HIS A 15 -251.972 -19.322 101.996 1.00 0.00 C ATOM 240 CG HIS A 15 -251.255 -20.468 101.360 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.834 -21.308 100.435 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.995 -20.924 101.539 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.962 -22.230 100.077 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.837 -22.021 100.730 1.00 0.00 N ATOM 0 H HIS A 15 -250.331 -17.671 103.120 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.325 -18.033 100.380 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.787 -19.340 103.070 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -253.045 -19.453 101.855 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -249.250 -20.502 102.197 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.140 -23.024 99.367 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.989 -22.582 100.648 1.00 0.00 H new ATOM 253 N GLY A 16 -252.624 -16.102 102.580 1.00 0.00 N ATOM 254 CA GLY A 16 -253.719 -15.180 102.840 1.00 0.00 C ATOM 255 C GLY A 16 -253.430 -13.785 102.331 1.00 0.00 C ATOM 256 O GLY A 16 -253.932 -12.800 102.869 1.00 0.00 O ATOM 0 H GLY A 16 -251.818 -16.003 103.198 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.627 -15.556 102.368 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.910 -15.140 103.912 1.00 0.00 H new ATOM 260 N VAL A 17 -252.620 -13.709 101.289 1.00 0.00 N ATOM 261 CA VAL A 17 -252.162 -12.442 100.760 1.00 0.00 C ATOM 262 C VAL A 17 -253.318 -11.598 100.225 1.00 0.00 C ATOM 263 O VAL A 17 -254.363 -12.123 99.834 1.00 0.00 O ATOM 264 CB VAL A 17 -251.126 -12.659 99.635 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.063 -13.645 100.061 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.789 -13.116 98.341 1.00 0.00 C ATOM 0 H VAL A 17 -252.264 -14.523 100.789 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.696 -11.905 101.586 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.650 -11.697 99.444 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.346 -13.780 99.251 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.547 -13.265 100.943 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.528 -14.602 100.297 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.029 -13.258 97.573 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.312 -14.057 98.513 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.501 -12.360 98.011 1.00 0.00 H new ATOM 326 N PRO A 22 -252.930 -16.833 94.936 1.00 0.00 N ATOM 327 CA PRO A 22 -253.487 -17.696 95.971 1.00 0.00 C ATOM 328 C PRO A 22 -252.500 -17.848 97.097 1.00 0.00 C ATOM 329 O PRO A 22 -252.839 -17.940 98.276 1.00 0.00 O ATOM 330 CB PRO A 22 -253.685 -19.035 95.259 1.00 0.00 C ATOM 331 CG PRO A 22 -253.162 -18.850 93.870 1.00 0.00 C ATOM 332 CD PRO A 22 -252.351 -17.610 93.842 1.00 0.00 C ATOM 0 HA PRO A 22 -254.408 -17.306 96.404 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.149 -19.833 95.774 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.738 -19.316 95.244 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.557 -19.707 93.574 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.986 -18.782 93.160 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.292 -17.813 94.004 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.434 -17.092 92.887 1.00 0.00 H new ATOM 340 N PHE A 23 -251.263 -17.872 96.682 1.00 0.00 N ATOM 341 CA PHE A 23 -250.136 -17.915 97.589 1.00 0.00 C ATOM 342 C PHE A 23 -248.944 -17.237 96.942 1.00 0.00 C ATOM 343 O PHE A 23 -248.604 -17.516 95.792 1.00 0.00 O ATOM 344 CB PHE A 23 -249.797 -19.361 97.996 1.00 0.00 C ATOM 345 CG PHE A 23 -249.417 -20.272 96.856 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.389 -20.877 96.074 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.083 -20.524 96.573 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.038 -21.713 95.032 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.728 -21.360 95.533 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.706 -21.954 94.760 1.00 0.00 C ATOM 0 H PHE A 23 -251.001 -17.862 95.696 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.399 -17.380 98.502 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.975 -19.338 98.712 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.657 -19.788 98.512 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.433 -20.692 96.282 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.313 -20.061 97.173 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.805 -22.178 94.430 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.685 -21.549 95.324 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.430 -22.606 93.944 1.00 0.00 H new ATOM 360 N THR A 24 -248.335 -16.324 97.667 1.00 0.00 N ATOM 361 CA THR A 24 -247.168 -15.630 97.175 1.00 0.00 C ATOM 362 C THR A 24 -246.206 -15.367 98.326 1.00 0.00 C ATOM 363 O THR A 24 -246.617 -15.219 99.476 1.00 0.00 O ATOM 364 CB THR A 24 -247.548 -14.320 96.445 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.438 -13.829 95.690 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.015 -13.246 97.409 1.00 0.00 C ATOM 0 H THR A 24 -248.631 -16.045 98.602 1.00 0.00 H new ATOM 0 HA THR A 24 -246.672 -16.264 96.440 1.00 0.00 H new ATOM 0 HB THR A 24 -248.374 -14.557 95.775 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.694 -13.001 95.233 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.271 -12.344 96.853 1.00 0.00 H new ATOM 0 HG22 THR A 24 -248.892 -13.600 97.951 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.218 -13.021 98.117 1.00 0.00 H new ATOM 374 N VAL A 25 -244.928 -15.337 98.009 1.00 0.00 N ATOM 375 CA VAL A 25 -243.872 -15.357 99.009 1.00 0.00 C ATOM 376 C VAL A 25 -243.144 -14.009 99.046 1.00 0.00 C ATOM 377 O VAL A 25 -242.732 -13.506 97.999 1.00 0.00 O ATOM 378 CB VAL A 25 -242.867 -16.466 98.646 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.964 -16.826 99.800 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.579 -17.695 98.103 1.00 0.00 C ATOM 0 H VAL A 25 -244.588 -15.298 97.048 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.310 -15.546 99.989 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.228 -16.066 97.859 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.275 -17.612 99.491 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.398 -15.947 100.107 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.566 -17.180 100.637 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.844 -18.461 97.855 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.265 -18.081 98.857 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.138 -17.425 97.207 1.00 0.00 H new ATOM 390 N PHE A 26 -242.988 -13.418 100.231 1.00 0.00 N ATOM 391 CA PHE A 26 -242.253 -12.152 100.350 1.00 0.00 C ATOM 392 C PHE A 26 -240.987 -12.340 101.153 1.00 0.00 C ATOM 393 O PHE A 26 -240.923 -13.190 102.045 1.00 0.00 O ATOM 394 CB PHE A 26 -243.094 -11.029 100.965 1.00 0.00 C ATOM 395 CG PHE A 26 -244.408 -10.818 100.273 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.530 -11.544 100.640 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.517 -9.891 99.250 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.738 -11.343 99.998 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.721 -9.687 98.606 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.832 -10.415 98.979 1.00 0.00 C ATOM 0 H PHE A 26 -243.353 -13.785 101.110 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.001 -11.850 99.334 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.278 -11.257 102.015 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.524 -10.101 100.935 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.460 -12.273 101.434 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.650 -9.321 98.952 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.608 -11.911 100.293 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.793 -8.959 97.812 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.774 -10.260 98.475 1.00 0.00 H new ATOM 410 N THR A 27 -239.975 -11.561 100.815 1.00 0.00 N ATOM 411 CA THR A 27 -238.663 -11.724 101.403 1.00 0.00 C ATOM 412 C THR A 27 -238.530 -10.919 102.682 1.00 0.00 C ATOM 413 O THR A 27 -239.023 -9.798 102.782 1.00 0.00 O ATOM 414 CB THR A 27 -237.559 -11.294 100.421 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.036 -11.432 99.074 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.312 -12.145 100.613 1.00 0.00 C ATOM 0 H THR A 27 -240.040 -10.806 100.132 1.00 0.00 H new ATOM 0 HA THR A 27 -238.546 -12.783 101.634 1.00 0.00 H new ATOM 0 HB THR A 27 -237.302 -10.253 100.615 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.334 -11.157 98.448 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.542 -11.826 99.910 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.944 -12.027 101.632 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.555 -13.192 100.434 1.00 0.00 H new ATOM 424 N ILE A 28 -237.874 -11.511 103.655 1.00 0.00 N ATOM 425 CA ILE A 28 -237.624 -10.859 104.919 1.00 0.00 C ATOM 426 C ILE A 28 -236.150 -10.506 105.021 1.00 0.00 C ATOM 427 O ILE A 28 -235.390 -10.782 104.099 1.00 0.00 O ATOM 428 CB ILE A 28 -238.044 -11.754 106.093 1.00 0.00 C ATOM 429 CG1 ILE A 28 -237.007 -12.841 106.367 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.395 -12.383 105.787 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.346 -13.706 107.551 1.00 0.00 C ATOM 0 H ILE A 28 -237.499 -12.458 103.591 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.219 -9.947 104.968 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.118 -11.137 106.988 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.909 -13.471 105.483 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -236.037 -12.373 106.534 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.697 -13.020 106.619 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.137 -11.598 105.643 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.320 -12.983 104.880 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.567 -14.456 107.688 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.415 -13.087 108.446 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.301 -14.202 107.378 1.00 0.00 H new ATOM 443 N ASN A 29 -235.746 -9.921 106.135 1.00 0.00 N ATOM 444 CA ASN A 29 -234.365 -9.490 106.313 1.00 0.00 C ATOM 445 C ASN A 29 -234.106 -9.223 107.796 1.00 0.00 C ATOM 446 O ASN A 29 -234.957 -8.660 108.483 1.00 0.00 O ATOM 447 CB ASN A 29 -234.122 -8.211 105.497 1.00 0.00 C ATOM 448 CG ASN A 29 -232.662 -7.780 105.419 1.00 0.00 C ATOM 449 OD1 ASN A 29 -231.834 -8.126 106.263 1.00 0.00 O ATOM 450 ND2 ASN A 29 -232.346 -6.994 104.403 1.00 0.00 N ATOM 0 H ASN A 29 -236.353 -9.732 106.932 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.686 -10.269 105.966 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -234.497 -8.364 104.485 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.704 -7.400 105.934 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -231.390 -6.654 104.299 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -233.058 -6.728 103.723 1.00 0.00 H new ATOM 457 N GLY A 30 -232.944 -9.636 108.286 1.00 0.00 N ATOM 458 CA GLY A 30 -232.569 -9.356 109.662 1.00 0.00 C ATOM 459 C GLY A 30 -233.384 -10.139 110.675 1.00 0.00 C ATOM 460 O GLY A 30 -233.415 -9.794 111.853 1.00 0.00 O ATOM 0 H GLY A 30 -232.251 -10.162 107.754 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.513 -9.588 109.798 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.689 -8.290 109.855 1.00 0.00 H new ATOM 464 N GLY A 31 -234.050 -11.188 110.217 1.00 0.00 N ATOM 465 CA GLY A 31 -234.856 -11.997 111.109 1.00 0.00 C ATOM 466 C GLY A 31 -236.338 -11.738 110.945 1.00 0.00 C ATOM 467 O GLY A 31 -237.085 -12.652 110.613 1.00 0.00 O ATOM 0 H GLY A 31 -234.047 -11.494 109.244 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.652 -13.051 110.923 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.567 -11.794 112.140 1.00 0.00 H new ATOM 471 N THR A 32 -236.736 -10.478 111.151 1.00 0.00 N ATOM 472 CA THR A 32 -238.135 -10.023 111.073 1.00 0.00 C ATOM 473 C THR A 32 -239.118 -10.883 111.855 1.00 0.00 C ATOM 474 O THR A 32 -239.381 -12.033 111.504 1.00 0.00 O ATOM 475 CB THR A 32 -238.663 -9.928 109.638 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.225 -11.048 108.875 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.224 -8.647 108.954 1.00 0.00 C ATOM 0 H THR A 32 -236.084 -9.728 111.381 1.00 0.00 H new ATOM 0 HA THR A 32 -238.085 -9.032 111.525 1.00 0.00 H new ATOM 0 HB THR A 32 -239.751 -9.923 109.696 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.263 -11.856 109.428 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.621 -8.622 107.939 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.600 -7.789 109.512 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.135 -8.608 108.919 1.00 0.00 H new ATOM 485 N LYS A 33 -239.705 -10.315 112.889 1.00 0.00 N ATOM 486 CA LYS A 33 -240.816 -10.977 113.537 1.00 0.00 C ATOM 487 C LYS A 33 -242.052 -10.843 112.659 1.00 0.00 C ATOM 488 O LYS A 33 -242.046 -10.123 111.659 1.00 0.00 O ATOM 489 CB LYS A 33 -241.077 -10.410 114.928 1.00 0.00 C ATOM 490 CG LYS A 33 -241.460 -8.957 114.902 1.00 0.00 C ATOM 491 CD LYS A 33 -241.382 -8.332 116.283 1.00 0.00 C ATOM 492 CE LYS A 33 -239.993 -8.476 116.888 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.980 -8.123 118.331 1.00 0.00 N ATOM 0 H LYS A 33 -239.438 -9.416 113.291 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.569 -12.031 113.666 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.873 -10.982 115.405 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.184 -10.535 115.540 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.801 -8.419 114.221 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.473 -8.854 114.513 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -241.644 -7.276 116.220 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.115 -8.803 116.938 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -239.646 -9.502 116.762 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -239.294 -7.835 116.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -239.017 -8.234 118.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -240.287 -7.136 118.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -240.628 -8.751 118.848 1.00 0.00 H new ATOM 507 N ALA A 34 -243.117 -11.498 113.063 1.00 0.00 N ATOM 508 CA ALA A 34 -244.304 -11.654 112.227 1.00 0.00 C ATOM 509 C ALA A 34 -245.003 -10.330 111.917 1.00 0.00 C ATOM 510 O ALA A 34 -245.746 -10.231 110.947 1.00 0.00 O ATOM 511 CB ALA A 34 -245.269 -12.604 112.906 1.00 0.00 C ATOM 0 H ALA A 34 -243.193 -11.941 113.979 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.975 -12.058 111.270 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.158 -12.724 112.286 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.789 -13.573 113.044 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.556 -12.199 113.877 1.00 0.00 H new ATOM 517 N LYS A 35 -244.773 -9.319 112.741 1.00 0.00 N ATOM 518 CA LYS A 35 -245.484 -8.043 112.588 1.00 0.00 C ATOM 519 C LYS A 35 -244.823 -7.199 111.512 1.00 0.00 C ATOM 520 O LYS A 35 -245.476 -6.733 110.574 1.00 0.00 O ATOM 521 CB LYS A 35 -245.576 -7.276 113.921 1.00 0.00 C ATOM 522 CG LYS A 35 -244.236 -6.950 114.568 1.00 0.00 C ATOM 523 CD LYS A 35 -244.406 -6.135 115.842 1.00 0.00 C ATOM 524 CE LYS A 35 -244.953 -4.745 115.553 1.00 0.00 C ATOM 525 NZ LYS A 35 -245.135 -3.950 116.796 1.00 0.00 N ATOM 0 H LYS A 35 -244.110 -9.348 113.515 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.506 -8.263 112.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -246.117 -6.345 113.751 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -246.168 -7.865 114.622 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.708 -7.876 114.797 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.617 -6.396 113.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -245.080 -6.657 116.521 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -243.445 -6.050 116.350 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -244.273 -4.220 114.883 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -245.908 -4.831 115.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -245.509 -3.010 116.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -245.804 -4.438 117.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.220 -3.845 117.278 1.00 0.00 H new ATOM 539 N GLN A 36 -243.512 -7.037 111.636 1.00 0.00 N ATOM 540 CA GLN A 36 -242.726 -6.372 110.615 1.00 0.00 C ATOM 541 C GLN A 36 -242.807 -7.174 109.328 1.00 0.00 C ATOM 542 O GLN A 36 -242.551 -6.677 108.234 1.00 0.00 O ATOM 543 CB GLN A 36 -241.271 -6.236 111.057 1.00 0.00 C ATOM 544 CG GLN A 36 -240.423 -5.419 110.095 1.00 0.00 C ATOM 545 CD GLN A 36 -238.958 -5.421 110.461 1.00 0.00 C ATOM 546 OE1 GLN A 36 -238.596 -5.518 111.632 1.00 0.00 O ATOM 547 NE2 GLN A 36 -238.106 -5.322 109.457 1.00 0.00 N ATOM 0 H GLN A 36 -242.972 -7.360 112.439 1.00 0.00 H new ATOM 0 HA GLN A 36 -243.125 -5.371 110.452 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -241.240 -5.771 112.042 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.836 -7.230 111.160 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -240.542 -5.815 109.087 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -240.787 -4.392 110.079 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -238.452 -5.243 108.501 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -237.102 -5.324 109.638 1.00 0.00 H new ATOM 556 N LEU A 37 -243.123 -8.446 109.468 1.00 0.00 N ATOM 557 CA LEU A 37 -243.263 -9.290 108.322 1.00 0.00 C ATOM 558 C LEU A 37 -244.628 -9.202 107.682 1.00 0.00 C ATOM 559 O LEU A 37 -244.751 -9.327 106.465 1.00 0.00 O ATOM 560 CB LEU A 37 -242.925 -10.713 108.660 1.00 0.00 C ATOM 561 CG LEU A 37 -241.975 -11.271 107.653 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.696 -11.419 106.337 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.831 -10.297 107.484 1.00 0.00 C ATOM 0 H LEU A 37 -243.285 -8.906 110.364 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.551 -8.923 107.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.482 -10.763 109.655 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.834 -11.314 108.685 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.598 -12.240 107.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.013 -11.826 105.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.543 -12.094 106.460 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.054 -10.444 106.007 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.125 -10.688 106.751 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.218 -9.338 107.140 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.324 -10.162 108.439 1.00 0.00 H new ATOM 575 N LEU A 38 -245.650 -8.996 108.475 1.00 0.00 N ATOM 576 CA LEU A 38 -246.953 -8.730 107.924 1.00 0.00 C ATOM 577 C LEU A 38 -246.807 -7.561 106.946 1.00 0.00 C ATOM 578 O LEU A 38 -247.341 -7.588 105.845 1.00 0.00 O ATOM 579 CB LEU A 38 -247.937 -8.441 109.065 1.00 0.00 C ATOM 580 CG LEU A 38 -249.418 -8.400 108.686 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.981 -7.013 108.933 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.625 -8.823 107.238 1.00 0.00 C ATOM 0 H LEU A 38 -245.605 -9.007 109.494 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.354 -9.585 107.380 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.801 -9.201 109.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.671 -7.483 109.512 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.955 -9.110 109.315 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.036 -6.995 108.660 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.875 -6.760 109.988 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.437 -6.287 108.329 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.687 -8.784 106.996 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.078 -8.148 106.580 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.258 -9.840 107.100 1.00 0.00 H new ATOM 594 N GLN A 39 -245.982 -6.603 107.334 1.00 0.00 N ATOM 595 CA GLN A 39 -245.545 -5.528 106.501 1.00 0.00 C ATOM 596 C GLN A 39 -244.960 -6.025 105.211 1.00 0.00 C ATOM 597 O GLN A 39 -245.397 -5.632 104.147 1.00 0.00 O ATOM 598 CB GLN A 39 -244.422 -4.869 107.245 1.00 0.00 C ATOM 599 CG GLN A 39 -243.908 -3.648 106.568 1.00 0.00 C ATOM 600 CD GLN A 39 -242.838 -2.931 107.373 1.00 0.00 C ATOM 601 OE1 GLN A 39 -243.140 -2.062 108.186 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.582 -3.288 107.153 1.00 0.00 N ATOM 0 H GLN A 39 -245.592 -6.564 108.275 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.389 -4.875 106.278 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.763 -4.605 108.246 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.606 -5.582 107.364 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.500 -3.923 105.595 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.737 -2.964 106.385 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.371 -4.015 106.469 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.826 -2.836 107.667 1.00 0.00 H new ATOM 611 N GLN A 40 -243.956 -6.878 105.326 1.00 0.00 N ATOM 612 CA GLN A 40 -243.251 -7.404 104.172 1.00 0.00 C ATOM 613 C GLN A 40 -244.215 -8.047 103.179 1.00 0.00 C ATOM 614 O GLN A 40 -243.978 -8.053 101.974 1.00 0.00 O ATOM 615 CB GLN A 40 -242.192 -8.408 104.628 1.00 0.00 C ATOM 616 CG GLN A 40 -240.850 -7.769 104.924 1.00 0.00 C ATOM 617 CD GLN A 40 -240.348 -6.970 103.749 1.00 0.00 C ATOM 618 OE1 GLN A 40 -240.803 -7.350 102.569 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.585 -6.017 103.903 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.608 -7.224 106.220 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.760 -6.577 103.660 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.548 -8.921 105.522 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.063 -9.166 103.856 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.939 -7.120 105.795 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.125 -8.543 105.176 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -239.264 -5.767 104.838 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.274 -5.477 103.095 1.00 0.00 H new ATOM 628 N ILE A 41 -245.313 -8.553 103.707 1.00 0.00 N ATOM 629 CA ILE A 41 -246.357 -9.187 102.922 1.00 0.00 C ATOM 630 C ILE A 41 -247.310 -8.146 102.341 1.00 0.00 C ATOM 631 O ILE A 41 -247.770 -8.253 101.204 1.00 0.00 O ATOM 632 CB ILE A 41 -247.093 -10.189 103.830 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.344 -11.522 103.831 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.539 -10.389 103.412 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.841 -11.393 103.983 1.00 0.00 C ATOM 0 H ILE A 41 -245.508 -8.535 104.708 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.923 -9.716 102.074 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.111 -9.777 104.839 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.728 -12.140 104.642 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.560 -12.047 102.901 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.016 -11.104 104.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.067 -9.437 103.462 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.573 -10.770 102.391 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.388 -12.384 103.974 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.441 -10.804 103.158 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.612 -10.898 104.927 1.00 0.00 H new ATOM 647 N LEU A 42 -247.581 -7.137 103.141 1.00 0.00 N ATOM 648 CA LEU A 42 -248.331 -5.965 102.723 1.00 0.00 C ATOM 649 C LEU A 42 -247.590 -5.203 101.649 1.00 0.00 C ATOM 650 O LEU A 42 -248.170 -4.419 100.901 1.00 0.00 O ATOM 651 CB LEU A 42 -248.497 -5.065 103.913 1.00 0.00 C ATOM 652 CG LEU A 42 -249.509 -5.553 104.926 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.012 -5.263 106.298 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.840 -4.882 104.704 1.00 0.00 C ATOM 0 H LEU A 42 -247.283 -7.105 104.116 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.294 -6.284 102.326 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.532 -4.953 104.406 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.795 -4.075 103.567 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.643 -6.628 104.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.739 -5.614 107.030 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -248.062 -5.774 106.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.870 -4.189 106.414 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.557 -5.244 105.441 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.725 -3.803 104.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.201 -5.113 103.702 1.00 0.00 H new ATOM 666 N THR A 43 -246.292 -5.436 101.608 1.00 0.00 N ATOM 667 CA THR A 43 -245.396 -4.714 100.747 1.00 0.00 C ATOM 668 C THR A 43 -245.579 -5.165 99.297 1.00 0.00 C ATOM 669 O THR A 43 -244.758 -5.892 98.734 1.00 0.00 O ATOM 670 CB THR A 43 -243.933 -4.923 101.201 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.775 -4.479 102.553 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.951 -4.179 100.324 1.00 0.00 C ATOM 0 H THR A 43 -245.832 -6.142 102.182 1.00 0.00 H new ATOM 0 HA THR A 43 -245.628 -3.651 100.810 1.00 0.00 H new ATOM 0 HB THR A 43 -243.721 -5.989 101.121 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.395 -4.969 103.133 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.937 -4.356 100.682 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.040 -4.532 99.297 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.167 -3.111 100.360 1.00 0.00 H new ATOM 823 N THR A 53 -253.123 -3.058 110.028 1.00 0.00 N ATOM 824 CA THR A 53 -254.300 -3.072 110.878 1.00 0.00 C ATOM 825 C THR A 53 -254.625 -4.486 111.387 1.00 0.00 C ATOM 826 O THR A 53 -253.731 -5.219 111.800 1.00 0.00 O ATOM 827 CB THR A 53 -255.494 -2.444 110.102 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.649 -2.305 110.942 1.00 0.00 O ATOM 829 CG2 THR A 53 -255.851 -3.258 108.856 1.00 0.00 C ATOM 0 HA THR A 53 -254.102 -2.474 111.767 1.00 0.00 H new ATOM 0 HB THR A 53 -255.173 -1.452 109.783 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.382 -1.907 110.427 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.689 -2.787 108.342 1.00 0.00 H new ATOM 0 HG22 THR A 53 -254.991 -3.297 108.188 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.128 -4.270 109.150 1.00 0.00 H new ATOM 837 N ASP A 54 -255.915 -4.823 111.356 1.00 0.00 N ATOM 838 CA ASP A 54 -256.488 -6.098 111.824 1.00 0.00 C ATOM 839 C ASP A 54 -255.773 -7.354 111.311 1.00 0.00 C ATOM 840 O ASP A 54 -256.123 -8.462 111.696 1.00 0.00 O ATOM 841 CB ASP A 54 -257.932 -6.167 111.348 1.00 0.00 C ATOM 842 CG ASP A 54 -258.818 -5.114 111.982 1.00 0.00 C ATOM 843 OD1 ASP A 54 -259.030 -5.167 113.209 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.299 -4.220 111.254 1.00 0.00 O ATOM 0 H ASP A 54 -256.626 -4.190 110.989 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.382 -6.099 112.909 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.957 -6.050 110.265 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.335 -7.155 111.571 1.00 0.00 H new ATOM 849 N TYR A 55 -254.802 -7.191 110.446 1.00 0.00 N ATOM 850 CA TYR A 55 -254.150 -8.326 109.805 1.00 0.00 C ATOM 851 C TYR A 55 -253.219 -9.083 110.747 1.00 0.00 C ATOM 852 O TYR A 55 -252.542 -8.495 111.590 1.00 0.00 O ATOM 853 CB TYR A 55 -253.348 -7.857 108.604 1.00 0.00 C ATOM 854 CG TYR A 55 -254.176 -7.328 107.466 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.133 -8.122 106.861 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.995 -6.036 106.992 1.00 0.00 C ATOM 857 CE1 TYR A 55 -255.894 -7.649 105.818 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.752 -5.549 105.946 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.702 -6.361 105.360 1.00 0.00 C ATOM 860 OH TYR A 55 -256.468 -5.883 104.318 1.00 0.00 O ATOM 0 H TYR A 55 -254.438 -6.281 110.163 1.00 0.00 H new ATOM 0 HA TYR A 55 -254.945 -9.006 109.499 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.658 -7.078 108.927 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.743 -8.688 108.241 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.285 -9.131 107.214 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.250 -5.402 107.449 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -256.639 -8.282 105.359 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.602 -4.541 105.589 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.209 -4.959 104.118 1.00 0.00 H new ATOM 870 N PHE A 56 -253.190 -10.394 110.575 1.00 0.00 N ATOM 871 CA PHE A 56 -252.232 -11.259 111.257 1.00 0.00 C ATOM 872 C PHE A 56 -252.077 -12.549 110.460 1.00 0.00 C ATOM 873 O PHE A 56 -252.814 -12.781 109.516 1.00 0.00 O ATOM 874 CB PHE A 56 -252.657 -11.553 112.709 1.00 0.00 C ATOM 875 CG PHE A 56 -253.968 -12.281 112.846 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.167 -11.587 112.814 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.999 -13.657 113.021 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.371 -12.248 112.951 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.204 -14.323 113.156 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.390 -13.616 113.120 1.00 0.00 C ATOM 0 H PHE A 56 -253.830 -10.893 109.958 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.272 -10.745 111.312 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.877 -12.144 113.189 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.722 -10.610 113.252 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.159 -10.515 112.680 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.074 -14.213 113.052 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.298 -11.694 112.926 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.217 -15.395 113.289 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.332 -14.135 113.224 1.00 0.00 H new ATOM 890 N LEU A 57 -251.128 -13.386 110.837 1.00 0.00 N ATOM 891 CA LEU A 57 -250.835 -14.607 110.087 1.00 0.00 C ATOM 892 C LEU A 57 -251.464 -15.760 110.825 1.00 0.00 C ATOM 893 O LEU A 57 -251.889 -15.588 111.954 1.00 0.00 O ATOM 894 CB LEU A 57 -249.315 -14.859 109.962 1.00 0.00 C ATOM 895 CG LEU A 57 -248.483 -13.785 109.250 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.686 -12.446 109.910 1.00 0.00 C ATOM 897 CD2 LEU A 57 -247.007 -14.150 109.272 1.00 0.00 C ATOM 0 H LEU A 57 -250.542 -13.247 111.660 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.235 -14.505 109.078 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.910 -14.990 110.966 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.171 -15.802 109.435 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.815 -13.727 108.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.090 -11.692 109.395 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.740 -12.172 109.860 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.375 -12.504 110.953 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.433 -13.376 108.762 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.668 -14.232 110.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.860 -15.104 108.765 1.00 0.00 H new ATOM 909 N MET A 58 -251.554 -16.914 110.195 1.00 0.00 N ATOM 910 CA MET A 58 -252.018 -18.113 110.879 1.00 0.00 C ATOM 911 C MET A 58 -251.423 -19.341 110.224 1.00 0.00 C ATOM 912 O MET A 58 -251.135 -19.325 109.034 1.00 0.00 O ATOM 913 CB MET A 58 -253.545 -18.235 110.852 1.00 0.00 C ATOM 914 CG MET A 58 -254.302 -17.040 111.407 1.00 0.00 C ATOM 915 SD MET A 58 -256.040 -17.395 111.697 1.00 0.00 S ATOM 916 CE MET A 58 -256.202 -18.875 110.709 1.00 0.00 C ATOM 0 H MET A 58 -251.314 -17.051 109.213 1.00 0.00 H new ATOM 0 HA MET A 58 -251.696 -18.037 111.918 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.862 -18.398 109.822 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.832 -19.121 111.418 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.839 -16.724 112.342 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.217 -16.206 110.711 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.238 -19.212 110.726 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.907 -18.661 109.682 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.560 -19.656 111.116 1.00 0.00 H new ATOM 926 N GLU A 59 -251.246 -20.394 110.994 1.00 0.00 N ATOM 927 CA GLU A 59 -250.755 -21.652 110.466 1.00 0.00 C ATOM 928 C GLU A 59 -251.667 -22.791 110.896 1.00 0.00 C ATOM 929 O GLU A 59 -251.792 -23.096 112.080 1.00 0.00 O ATOM 930 CB GLU A 59 -249.318 -21.922 110.919 1.00 0.00 C ATOM 931 CG GLU A 59 -249.108 -21.774 112.415 1.00 0.00 C ATOM 932 CD GLU A 59 -247.958 -22.613 112.924 1.00 0.00 C ATOM 933 OE1 GLU A 59 -246.800 -22.230 112.712 1.00 0.00 O ATOM 934 OE2 GLU A 59 -248.209 -23.686 113.511 1.00 0.00 O ATOM 0 H GLU A 59 -251.436 -20.404 111.996 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.756 -21.586 109.378 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -249.037 -22.932 110.620 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -248.648 -21.238 110.398 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.921 -20.726 112.650 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -250.021 -22.060 112.937 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.760 -22.439 114.603 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.686 -21.676 115.221 1.00 0.00 C ATOM 1264 C ARG A 78 -252.612 -20.280 114.608 1.00 0.00 C ATOM 1265 O ARG A 78 -252.244 -20.116 113.450 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.353 -22.411 115.052 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.161 -21.724 115.712 1.00 0.00 C ATOM 1268 CD ARG A 78 -250.180 -21.857 117.225 1.00 0.00 C ATOM 1269 NE ARG A 78 -251.287 -21.127 117.841 1.00 0.00 N ATOM 1270 CZ ARG A 78 -251.141 -19.992 118.517 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -249.936 -19.458 118.670 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -252.204 -19.397 119.041 1.00 0.00 N ATOM 0 HA ARG A 78 -252.892 -21.574 116.287 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.452 -23.415 115.465 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -251.147 -22.523 113.987 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -249.237 -22.153 115.324 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.159 -20.668 115.443 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -250.252 -22.911 117.492 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.237 -21.489 117.630 1.00 0.00 H new ATOM 0 HE ARG A 78 -252.227 -21.512 117.746 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -249.119 -19.919 118.268 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -249.826 -18.587 119.189 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -253.129 -19.811 118.925 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -252.096 -18.526 119.561 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.983 -19.278 115.390 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.948 -17.900 114.926 1.00 0.00 C ATOM 1288 C ALA A 79 -251.594 -17.260 115.269 1.00 0.00 C ATOM 1289 O ALA A 79 -251.038 -17.514 116.338 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.085 -17.105 115.554 1.00 0.00 C ATOM 0 H ALA A 79 -253.312 -19.393 116.349 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.073 -17.890 113.843 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.048 -16.075 115.199 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.039 -17.551 115.274 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.983 -17.119 116.639 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.080 -16.436 114.371 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.766 -15.807 114.524 1.00 0.00 C ATOM 1298 C ILE A 80 -249.825 -14.509 115.319 1.00 0.00 C ATOM 1299 O ILE A 80 -250.700 -13.668 115.103 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.113 -15.548 113.149 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.519 -16.846 112.602 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -248.042 -14.471 113.232 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.418 -17.406 113.472 1.00 0.00 C ATOM 0 H ILE A 80 -251.560 -16.179 113.509 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.154 -16.511 115.088 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.887 -15.191 112.470 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.311 -17.589 112.505 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -248.127 -16.666 111.601 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.605 -14.316 112.246 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.488 -13.540 113.581 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.264 -14.784 113.928 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.038 -18.327 113.030 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.609 -16.679 113.548 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.812 -17.616 114.466 1.00 0.00 H new ATOM 1315 N GLY A 81 -248.882 -14.361 116.240 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.717 -13.113 116.946 1.00 0.00 C ATOM 1317 C GLY A 81 -247.339 -12.529 116.696 1.00 0.00 C ATOM 1318 O GLY A 81 -246.428 -13.261 116.317 1.00 0.00 O ATOM 0 H GLY A 81 -248.224 -15.093 116.510 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.481 -12.405 116.624 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -248.860 -13.273 118.015 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.157 -11.215 116.885 1.00 0.00 N ATOM 1323 CA PRO A 82 -245.874 -10.547 116.683 1.00 0.00 C ATOM 1324 C PRO A 82 -244.759 -11.116 117.549 1.00 0.00 C ATOM 1325 O PRO A 82 -243.593 -11.113 117.155 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.160 -9.096 117.065 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.625 -8.956 116.870 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.183 -10.270 117.308 1.00 0.00 C ATOM 0 HA PRO A 82 -245.518 -10.674 115.661 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.873 -8.891 118.096 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.605 -8.401 116.435 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.028 -8.135 117.463 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.869 -8.747 115.828 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.343 -10.302 118.386 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.144 -10.479 116.837 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.120 -11.580 118.734 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.174 -12.208 119.633 1.00 0.00 C ATOM 1338 C GLU A 83 -243.636 -13.507 119.047 1.00 0.00 C ATOM 1339 O GLU A 83 -242.432 -13.774 119.091 1.00 0.00 O ATOM 1340 CB GLU A 83 -244.852 -12.469 120.958 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.305 -11.191 121.628 1.00 0.00 C ATOM 1342 CD GLU A 83 -244.177 -10.197 121.815 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -243.433 -10.315 122.812 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -244.027 -9.292 120.965 1.00 0.00 O ATOM 0 H GLU A 83 -246.072 -11.531 119.096 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.327 -11.538 119.779 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.712 -13.120 120.802 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.165 -13.000 121.618 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -246.093 -10.732 121.031 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -245.739 -11.429 122.599 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.541 -14.303 118.495 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.188 -15.570 117.873 1.00 0.00 C ATOM 1353 C GLU A 84 -243.610 -15.342 116.481 1.00 0.00 C ATOM 1354 O GLU A 84 -244.340 -15.181 115.503 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.407 -16.487 117.815 1.00 0.00 C ATOM 1356 CG GLU A 84 -245.942 -16.816 119.197 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.119 -17.766 119.177 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.257 -17.307 118.959 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -246.915 -18.978 119.410 1.00 0.00 O ATOM 0 H GLU A 84 -245.538 -14.089 118.466 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.423 -16.055 118.478 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.191 -16.010 117.228 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.141 -17.410 117.301 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.142 -17.254 119.793 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.239 -15.892 119.693 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.291 -15.308 116.417 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.583 -15.001 115.185 1.00 0.00 C ATOM 1368 C GLU A 85 -241.600 -16.183 114.223 1.00 0.00 C ATOM 1369 O GLU A 85 -241.511 -17.341 114.636 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.152 -14.597 115.510 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.065 -13.367 116.395 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.644 -13.044 116.790 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -237.947 -12.354 116.020 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.209 -13.501 117.868 1.00 0.00 O ATOM 0 H GLU A 85 -241.681 -15.492 117.214 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.091 -14.172 114.691 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.650 -15.429 116.004 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.615 -14.407 114.581 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.497 -12.514 115.871 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.662 -13.525 117.293 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.682 -15.880 112.934 1.00 0.00 N ATOM 1382 CA ILE A 86 -241.826 -16.902 111.905 1.00 0.00 C ATOM 1383 C ILE A 86 -240.552 -17.720 111.731 1.00 0.00 C ATOM 1384 O ILE A 86 -240.601 -18.870 111.294 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.235 -16.287 110.557 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.219 -15.230 110.111 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.626 -15.686 110.677 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.571 -14.564 108.799 1.00 0.00 C ATOM 0 H ILE A 86 -241.651 -14.926 112.574 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.618 -17.571 112.243 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.251 -17.069 109.798 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.138 -14.467 110.885 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.238 -15.697 110.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -243.917 -15.249 109.722 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.337 -16.465 110.952 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.623 -14.911 111.444 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -240.807 -13.828 108.548 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.623 -15.316 108.012 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.537 -14.067 108.891 1.00 0.00 H new ATOM 1400 N MET A 87 -239.414 -17.138 112.084 1.00 0.00 N ATOM 1401 CA MET A 87 -238.158 -17.872 112.060 1.00 0.00 C ATOM 1402 C MET A 87 -238.188 -18.972 113.115 1.00 0.00 C ATOM 1403 O MET A 87 -237.555 -20.017 112.958 1.00 0.00 O ATOM 1404 CB MET A 87 -236.968 -16.940 112.297 1.00 0.00 C ATOM 1405 CG MET A 87 -236.718 -15.924 111.186 1.00 0.00 C ATOM 1406 SD MET A 87 -236.113 -16.654 109.645 1.00 0.00 S ATOM 1407 CE MET A 87 -237.623 -17.300 108.926 1.00 0.00 C ATOM 0 H MET A 87 -239.335 -16.168 112.388 1.00 0.00 H new ATOM 0 HA MET A 87 -238.038 -18.320 111.074 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.126 -16.403 113.232 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.071 -17.545 112.425 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.645 -15.388 110.983 1.00 0.00 H new ATOM 0 HG3 MET A 87 -235.994 -15.188 111.536 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.620 -18.388 108.990 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.482 -16.907 109.470 1.00 0.00 H new ATOM 0 HE3 MET A 87 -237.686 -16.998 107.880 1.00 0.00 H new ATOM 1417 N GLN A 88 -238.976 -18.759 114.167 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.090 -19.748 115.232 1.00 0.00 C ATOM 1419 C GLN A 88 -239.956 -20.879 114.735 1.00 0.00 C ATOM 1420 O GLN A 88 -239.692 -22.053 114.983 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.714 -19.149 116.492 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.896 -18.030 117.099 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.563 -17.409 118.311 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -240.328 -18.063 119.019 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -239.274 -16.144 118.563 1.00 0.00 N ATOM 0 H GLN A 88 -239.539 -17.919 114.303 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.092 -20.102 115.492 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.708 -18.772 116.251 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.843 -19.937 117.234 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.917 -18.415 117.385 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.728 -17.259 116.347 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -238.635 -15.635 117.952 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -239.690 -15.676 119.368 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.983 -20.479 114.010 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.935 -21.391 113.404 1.00 0.00 C ATOM 1436 C ILE A 89 -241.233 -22.409 112.518 1.00 0.00 C ATOM 1437 O ILE A 89 -241.446 -23.612 112.630 1.00 0.00 O ATOM 1438 CB ILE A 89 -242.918 -20.596 112.543 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.523 -19.465 113.374 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -243.997 -21.503 111.978 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.100 -19.905 114.706 1.00 0.00 C ATOM 0 H ILE A 89 -241.183 -19.496 113.822 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.457 -21.917 114.203 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.384 -20.162 111.697 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.755 -18.713 113.555 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.309 -18.984 112.792 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -244.684 -20.915 111.369 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.537 -22.276 111.362 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.545 -21.970 112.796 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.508 -19.040 115.229 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.893 -20.633 114.536 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.315 -20.358 115.311 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.396 -21.896 111.634 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.681 -22.719 110.672 1.00 0.00 C ATOM 1455 C LEU A 90 -238.543 -23.499 111.325 1.00 0.00 C ATOM 1456 O LEU A 90 -238.069 -24.490 110.776 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.181 -21.836 109.536 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.298 -21.103 108.798 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -239.731 -20.077 107.839 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.187 -22.097 108.064 1.00 0.00 C ATOM 0 H LEU A 90 -240.192 -20.899 111.562 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.365 -23.465 110.268 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.480 -21.104 109.937 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -238.629 -22.450 108.825 1.00 0.00 H new ATOM 0 HG LEU A 90 -240.905 -20.573 109.532 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -240.547 -19.569 107.326 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.141 -19.348 108.394 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.096 -20.575 107.106 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -241.979 -21.560 107.542 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.590 -22.655 107.342 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.629 -22.789 108.781 1.00 0.00 H new ATOM 1472 N SER A 91 -238.099 -23.045 112.491 1.00 0.00 N ATOM 1473 CA SER A 91 -237.089 -23.771 113.259 1.00 0.00 C ATOM 1474 C SER A 91 -237.707 -24.960 113.995 1.00 0.00 C ATOM 1475 O SER A 91 -237.008 -25.730 114.653 1.00 0.00 O ATOM 1476 CB SER A 91 -236.398 -22.842 114.255 1.00 0.00 C ATOM 1477 OG SER A 91 -235.706 -21.799 113.583 1.00 0.00 O ATOM 0 H SER A 91 -238.420 -22.180 112.926 1.00 0.00 H new ATOM 0 HA SER A 91 -236.346 -24.149 112.556 1.00 0.00 H new ATOM 0 HB2 SER A 91 -237.137 -22.415 114.933 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.698 -23.413 114.865 1.00 0.00 H new ATOM 0 HG SER A 91 -236.350 -21.227 113.116 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.543 -20.891 105.802 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.838 -19.658 106.514 1.00 0.00 C ATOM 1660 C ILE A 103 -250.928 -18.889 105.792 1.00 0.00 C ATOM 1661 O ILE A 103 -250.811 -18.613 104.601 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.610 -18.730 106.658 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.536 -19.379 107.533 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -249.024 -17.379 107.241 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.421 -18.429 107.922 1.00 0.00 C ATOM 0 HA ILE A 103 -250.157 -19.955 107.513 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.191 -18.568 105.665 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -248.002 -19.770 108.437 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.110 -20.229 107.001 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.147 -16.739 107.335 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.750 -16.905 106.580 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.471 -17.528 108.224 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.695 -18.955 108.542 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.930 -18.057 107.023 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.836 -17.591 108.482 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.965 -18.527 106.513 1.00 0.00 N ATOM 1678 CA VAL A 104 -253.042 -17.761 105.960 1.00 0.00 C ATOM 1679 C VAL A 104 -253.067 -16.409 106.622 1.00 0.00 C ATOM 1680 O VAL A 104 -253.380 -16.290 107.805 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.409 -18.452 106.139 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.608 -19.541 105.099 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.549 -19.019 107.528 1.00 0.00 C ATOM 0 H VAL A 104 -252.079 -18.759 107.500 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.870 -17.665 104.888 1.00 0.00 H new ATOM 0 HB VAL A 104 -255.183 -17.698 105.998 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.579 -20.013 105.247 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.565 -19.104 104.101 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.822 -20.289 105.201 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.522 -19.501 107.628 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.761 -19.752 107.703 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.465 -18.215 108.259 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.658 -15.402 105.886 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.792 -14.051 106.360 1.00 0.00 C ATOM 1695 C LEU A 105 -254.266 -13.767 106.539 1.00 0.00 C ATOM 1696 O LEU A 105 -255.025 -13.689 105.569 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.213 -13.062 105.378 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.008 -11.681 105.969 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.998 -11.774 107.095 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.566 -10.696 104.904 1.00 0.00 C ATOM 0 H LEU A 105 -252.233 -15.495 104.963 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.249 -13.946 107.299 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.258 -13.439 105.014 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.876 -12.986 104.516 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.952 -11.311 106.369 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.843 -10.785 107.527 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.371 -12.452 107.863 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.053 -12.152 106.706 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.426 -9.713 105.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.626 -11.032 104.465 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.328 -10.634 104.127 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.664 -13.657 107.768 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.045 -13.459 108.099 1.00 0.00 C ATOM 1714 C LYS A 106 -256.284 -12.015 108.493 1.00 0.00 C ATOM 1715 O LYS A 106 -255.341 -11.235 108.662 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.469 -14.385 109.238 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.675 -15.824 108.805 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.669 -15.914 107.660 1.00 0.00 C ATOM 1719 CE LYS A 106 -258.052 -17.350 107.345 1.00 0.00 C ATOM 1720 NZ LYS A 106 -259.016 -17.420 106.215 1.00 0.00 N ATOM 0 H LYS A 106 -254.040 -13.702 108.574 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.644 -13.696 107.220 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.711 -14.355 110.021 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.394 -14.010 109.675 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.722 -16.254 108.498 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -257.034 -16.413 109.649 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.565 -15.348 107.914 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.240 -15.451 106.771 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -257.157 -17.921 107.097 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -258.491 -17.813 108.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.257 -18.414 106.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.879 -16.895 106.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.587 -17.000 105.366 1.00 0.00 H new ATOM 1734 N THR A 107 -257.538 -11.663 108.648 1.00 0.00 N ATOM 1735 CA THR A 107 -257.906 -10.388 109.154 1.00 0.00 C ATOM 1736 C THR A 107 -258.464 -10.630 110.540 1.00 0.00 C ATOM 1737 O THR A 107 -258.772 -11.768 110.904 1.00 0.00 O ATOM 1738 CB THR A 107 -258.977 -9.717 108.271 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.148 -10.542 108.206 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.457 -9.481 106.863 1.00 0.00 C ATOM 0 H THR A 107 -258.328 -12.267 108.421 1.00 0.00 H new ATOM 0 HA THR A 107 -257.044 -9.721 109.168 1.00 0.00 H new ATOM 0 HB THR A 107 -259.225 -8.755 108.720 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.824 -10.107 107.645 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.234 -9.007 106.263 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.582 -8.832 106.902 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.182 -10.434 106.412 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.608 -9.586 111.291 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.145 -9.670 112.644 1.00 0.00 C ATOM 1750 C GLN A 108 -260.672 -9.709 112.580 1.00 0.00 C ATOM 1751 O GLN A 108 -261.374 -9.093 113.388 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.652 -8.488 113.480 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.586 -8.783 114.963 1.00 0.00 C ATOM 1754 CD GLN A 108 -257.849 -7.726 115.760 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -257.257 -8.028 116.798 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -257.872 -6.490 115.292 1.00 0.00 N ATOM 0 H GLN A 108 -258.361 -8.641 110.998 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.795 -10.584 113.124 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.662 -8.195 113.132 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.313 -7.637 113.316 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -259.600 -8.878 115.351 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -258.096 -9.745 115.112 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -258.374 -6.281 114.429 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -257.388 -5.746 115.794 1.00 0.00 H new