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 58 MET CE :methyl -163:sc= -1.26 (180deg=-2.48!) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -174:sc= -0.235 (180deg=-0.266) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0 X(o=-0.57,f=-0.59) USER MOD Set 2.2: A 87 MET CE :methyl 151:sc= -0.57 (180deg=-1.32) USER MOD Single : A 9 THR OG1 : rot 31:sc= 0.269 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.176 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=-0.042) USER MOD Single : A 32 THR OG1 : rot 90:sc= -4.18! 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= -0.247 K(o=-0.25,f=-0.87) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.68) USER MOD Single : A 43 THR OG1 : rot 61:sc= 1 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.663 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.640 -12.639 104.690 1.00 0.00 N ATOM 134 CA THR A 9 -232.918 -12.494 103.996 1.00 0.00 C ATOM 135 C THR A 9 -233.533 -13.871 103.768 1.00 0.00 C ATOM 136 O THR A 9 -232.883 -14.757 103.218 1.00 0.00 O ATOM 137 CB THR A 9 -232.754 -11.804 102.623 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.755 -12.486 101.853 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.375 -10.337 102.759 1.00 0.00 C ATOM 0 HA THR A 9 -233.561 -11.876 104.623 1.00 0.00 H new ATOM 0 HB THR A 9 -233.718 -11.852 102.117 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.750 -13.436 102.092 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.271 -9.895 101.768 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.153 -9.810 103.312 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.429 -10.254 103.295 1.00 0.00 H new ATOM 147 N HIS A 10 -234.768 -14.061 104.204 1.00 0.00 N ATOM 148 CA HIS A 10 -235.460 -15.337 104.013 1.00 0.00 C ATOM 149 C HIS A 10 -236.858 -15.092 103.484 1.00 0.00 C ATOM 150 O HIS A 10 -237.564 -14.229 103.973 1.00 0.00 O ATOM 151 CB HIS A 10 -235.569 -16.130 105.321 1.00 0.00 C ATOM 152 CG HIS A 10 -234.264 -16.440 105.993 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.696 -17.693 105.992 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.432 -15.656 106.722 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.576 -17.668 106.689 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.391 -16.443 107.145 1.00 0.00 N ATOM 0 H HIS A 10 -235.316 -13.353 104.692 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.874 -15.917 103.300 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.193 -15.568 106.016 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.085 -17.068 105.116 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.564 -14.605 106.931 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.920 -18.509 106.858 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.605 -16.133 107.717 1.00 0.00 H new ATOM 165 N ARG A 11 -237.261 -15.834 102.483 1.00 0.00 N ATOM 166 CA ARG A 11 -238.583 -15.689 101.949 1.00 0.00 C ATOM 167 C ARG A 11 -239.553 -16.656 102.615 1.00 0.00 C ATOM 168 O ARG A 11 -239.194 -17.788 102.944 1.00 0.00 O ATOM 169 CB ARG A 11 -238.560 -15.884 100.454 1.00 0.00 C ATOM 170 CG ARG A 11 -239.288 -14.763 99.775 1.00 0.00 C ATOM 171 CD ARG A 11 -238.809 -14.540 98.359 1.00 0.00 C ATOM 172 NE ARG A 11 -239.099 -15.676 97.483 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.691 -15.566 96.291 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.048 -14.371 95.828 1.00 0.00 N ATOM 175 NH2 ARG A 11 -239.928 -16.648 95.560 1.00 0.00 N ATOM 0 H ARG A 11 -236.689 -16.543 102.025 1.00 0.00 H new ATOM 0 HA ARG A 11 -238.934 -14.679 102.161 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.530 -15.925 100.101 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.023 -16.837 100.197 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.356 -14.981 99.764 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.155 -13.846 100.349 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.282 -13.645 97.956 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -237.735 -14.357 98.367 1.00 0.00 H new ATOM 0 HE ARG A 11 -238.833 -16.608 97.802 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -239.870 -13.535 96.384 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -240.500 -14.291 94.917 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.658 -17.568 95.908 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.380 -16.560 94.650 1.00 0.00 H new ATOM 189 N VAL A 12 -240.777 -16.196 102.812 1.00 0.00 N ATOM 190 CA VAL A 12 -241.799 -16.980 103.477 1.00 0.00 C ATOM 191 C VAL A 12 -243.092 -16.939 102.656 1.00 0.00 C ATOM 192 O VAL A 12 -243.607 -15.864 102.339 1.00 0.00 O ATOM 193 CB VAL A 12 -242.035 -16.463 104.919 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.198 -14.946 104.934 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.240 -17.146 105.552 1.00 0.00 C ATOM 0 H VAL A 12 -241.088 -15.271 102.516 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.465 -18.015 103.551 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.156 -16.713 105.514 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.362 -14.608 105.957 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.296 -14.479 104.538 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.052 -14.666 104.318 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.384 -16.766 106.563 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.129 -16.940 104.957 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.070 -18.222 105.590 1.00 0.00 H new ATOM 205 N THR A 13 -243.582 -18.113 102.268 1.00 0.00 N ATOM 206 CA THR A 13 -244.723 -18.201 101.367 1.00 0.00 C ATOM 207 C THR A 13 -246.017 -17.853 102.111 1.00 0.00 C ATOM 208 O THR A 13 -246.244 -18.322 103.227 1.00 0.00 O ATOM 209 CB THR A 13 -244.865 -19.630 100.808 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.601 -20.089 100.312 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.908 -19.680 99.698 1.00 0.00 C ATOM 0 H THR A 13 -243.206 -19.014 102.564 1.00 0.00 H new ATOM 0 HA THR A 13 -244.555 -17.497 100.552 1.00 0.00 H new ATOM 0 HB THR A 13 -245.194 -20.283 101.617 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.698 -20.998 99.960 1.00 0.00 H new ATOM 0 HG21 THR A 13 -245.989 -20.699 99.321 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.873 -19.361 100.091 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.609 -19.016 98.887 1.00 0.00 H new ATOM 219 N VAL A 14 -246.864 -17.045 101.496 1.00 0.00 N ATOM 220 CA VAL A 14 -248.120 -16.650 102.111 1.00 0.00 C ATOM 221 C VAL A 14 -249.308 -17.162 101.288 1.00 0.00 C ATOM 222 O VAL A 14 -249.338 -17.011 100.069 1.00 0.00 O ATOM 223 CB VAL A 14 -248.188 -15.114 102.259 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.438 -14.678 103.002 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.945 -14.598 102.966 1.00 0.00 C ATOM 0 H VAL A 14 -246.704 -16.649 100.570 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.172 -17.097 103.104 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.233 -14.685 101.258 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.451 -13.591 103.087 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.321 -15.010 102.455 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.441 -15.119 103.999 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.006 -13.514 103.064 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.876 -15.048 103.956 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.061 -14.861 102.386 1.00 0.00 H new ATOM 235 N HIS A 15 -250.267 -17.794 101.964 1.00 0.00 N ATOM 236 CA HIS A 15 -251.433 -18.400 101.306 1.00 0.00 C ATOM 237 C HIS A 15 -252.692 -17.560 101.493 1.00 0.00 C ATOM 238 O HIS A 15 -253.745 -17.882 100.945 1.00 0.00 O ATOM 239 CB HIS A 15 -251.687 -19.802 101.877 1.00 0.00 C ATOM 240 CG HIS A 15 -250.736 -20.849 101.389 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.024 -21.716 100.361 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.497 -21.172 101.817 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.003 -22.531 100.179 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.059 -22.223 101.052 1.00 0.00 N ATOM 0 H HIS A 15 -250.262 -17.902 102.978 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.210 -18.456 100.241 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.629 -19.754 102.964 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.703 -20.105 101.625 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -248.951 -20.691 102.615 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -249.947 -23.318 99.441 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.156 -22.689 101.142 1.00 0.00 H new ATOM 253 N GLY A 16 -252.591 -16.504 102.286 1.00 0.00 N ATOM 254 CA GLY A 16 -253.752 -15.662 102.535 1.00 0.00 C ATOM 255 C GLY A 16 -253.492 -14.211 102.182 1.00 0.00 C ATOM 256 O GLY A 16 -254.001 -13.302 102.836 1.00 0.00 O ATOM 0 H GLY A 16 -251.736 -16.213 102.760 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.597 -16.030 101.953 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -254.033 -15.734 103.586 1.00 0.00 H new ATOM 260 N VAL A 17 -252.716 -14.003 101.131 1.00 0.00 N ATOM 261 CA VAL A 17 -252.228 -12.684 100.774 1.00 0.00 C ATOM 262 C VAL A 17 -253.360 -11.750 100.343 1.00 0.00 C ATOM 263 O VAL A 17 -254.439 -12.194 99.944 1.00 0.00 O ATOM 264 CB VAL A 17 -251.177 -12.772 99.642 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.218 -13.913 99.890 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.827 -12.902 98.270 1.00 0.00 C ATOM 0 H VAL A 17 -252.407 -14.745 100.502 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.765 -12.269 101.669 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.615 -11.838 99.648 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.488 -13.957 99.082 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.702 -13.755 100.837 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.771 -14.851 99.930 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.053 -12.961 97.505 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.436 -13.805 98.240 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.458 -12.033 98.082 1.00 0.00 H new ATOM 326 N PRO A 22 -252.753 -16.477 94.585 1.00 0.00 N ATOM 327 CA PRO A 22 -253.334 -17.468 95.484 1.00 0.00 C ATOM 328 C PRO A 22 -252.388 -17.759 96.619 1.00 0.00 C ATOM 329 O PRO A 22 -252.781 -18.040 97.752 1.00 0.00 O ATOM 330 CB PRO A 22 -253.480 -18.710 94.605 1.00 0.00 C ATOM 331 CG PRO A 22 -252.903 -18.347 93.272 1.00 0.00 C ATOM 332 CD PRO A 22 -252.105 -17.107 93.438 1.00 0.00 C ATOM 0 HA PRO A 22 -254.274 -17.138 95.926 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.952 -19.559 95.040 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.527 -19.000 94.511 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.276 -19.155 92.895 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.698 -18.193 92.542 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.054 -17.322 93.631 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.144 -16.476 92.550 1.00 0.00 H new ATOM 340 N PHE A 23 -251.131 -17.693 96.261 1.00 0.00 N ATOM 341 CA PHE A 23 -250.028 -17.853 97.192 1.00 0.00 C ATOM 342 C PHE A 23 -248.800 -17.145 96.638 1.00 0.00 C ATOM 343 O PHE A 23 -248.448 -17.316 95.469 1.00 0.00 O ATOM 344 CB PHE A 23 -249.732 -19.341 97.460 1.00 0.00 C ATOM 345 CG PHE A 23 -249.372 -20.146 96.238 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.359 -20.644 95.406 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.044 -20.405 95.928 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.035 -21.384 94.287 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.713 -21.145 94.811 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.709 -21.636 93.988 1.00 0.00 C ATOM 0 H PHE A 23 -250.834 -17.524 95.300 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.303 -17.405 98.147 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.914 -19.410 98.177 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.606 -19.792 97.930 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.397 -20.451 95.635 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.262 -20.024 96.567 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.816 -21.766 93.646 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.676 -21.340 94.580 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.452 -22.215 93.113 1.00 0.00 H new ATOM 360 N THR A 24 -248.178 -16.320 97.457 1.00 0.00 N ATOM 361 CA THR A 24 -246.988 -15.601 97.044 1.00 0.00 C ATOM 362 C THR A 24 -246.052 -15.417 98.236 1.00 0.00 C ATOM 363 O THR A 24 -246.495 -15.273 99.375 1.00 0.00 O ATOM 364 CB THR A 24 -247.341 -14.243 96.384 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.162 -13.595 95.894 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.060 -13.325 97.350 1.00 0.00 C ATOM 0 H THR A 24 -248.477 -16.130 98.414 1.00 0.00 H new ATOM 0 HA THR A 24 -246.473 -16.193 96.287 1.00 0.00 H new ATOM 0 HB THR A 24 -248.008 -14.455 95.549 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.406 -12.741 95.480 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.291 -12.383 96.853 1.00 0.00 H new ATOM 0 HG22 THR A 24 -248.985 -13.797 97.681 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.422 -13.133 98.213 1.00 0.00 H new ATOM 374 N VAL A 25 -244.765 -15.461 97.959 1.00 0.00 N ATOM 375 CA VAL A 25 -243.735 -15.502 98.988 1.00 0.00 C ATOM 376 C VAL A 25 -242.997 -14.164 99.057 1.00 0.00 C ATOM 377 O VAL A 25 -242.506 -13.671 98.042 1.00 0.00 O ATOM 378 CB VAL A 25 -242.728 -16.613 98.644 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.818 -16.948 99.800 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.432 -17.853 98.128 1.00 0.00 C ATOM 0 H VAL A 25 -244.397 -15.470 97.008 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.203 -15.699 99.952 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.095 -16.223 97.847 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.128 -17.738 99.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.253 -16.061 100.087 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.415 -17.288 100.646 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.694 -18.620 97.894 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.115 -18.228 98.891 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -243.995 -17.604 97.228 1.00 0.00 H new ATOM 390 N PHE A 26 -242.914 -13.577 100.247 1.00 0.00 N ATOM 391 CA PHE A 26 -242.231 -12.292 100.409 1.00 0.00 C ATOM 392 C PHE A 26 -240.955 -12.461 101.210 1.00 0.00 C ATOM 393 O PHE A 26 -240.869 -13.316 102.093 1.00 0.00 O ATOM 394 CB PHE A 26 -243.126 -11.240 101.068 1.00 0.00 C ATOM 395 CG PHE A 26 -244.464 -11.076 100.401 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.540 -11.868 100.764 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.641 -10.125 99.413 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.769 -11.712 100.152 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.864 -9.963 98.796 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.931 -10.759 99.167 1.00 0.00 C ATOM 0 H PHE A 26 -243.305 -13.963 101.106 1.00 0.00 H new ATOM 0 HA PHE A 26 -241.984 -11.936 99.409 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.282 -11.512 102.112 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.608 -10.281 101.062 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.417 -12.616 101.534 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.810 -9.500 99.120 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.602 -12.335 100.444 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.987 -9.216 98.025 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.890 -10.635 98.687 1.00 0.00 H new ATOM 410 N THR A 27 -239.964 -11.643 100.890 1.00 0.00 N ATOM 411 CA THR A 27 -238.644 -11.784 101.468 1.00 0.00 C ATOM 412 C THR A 27 -238.506 -10.963 102.739 1.00 0.00 C ATOM 413 O THR A 27 -239.027 -9.854 102.837 1.00 0.00 O ATOM 414 CB THR A 27 -237.555 -11.354 100.472 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.022 -11.554 99.129 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.290 -12.169 100.694 1.00 0.00 C ATOM 0 H THR A 27 -240.054 -10.871 100.229 1.00 0.00 H new ATOM 0 HA THR A 27 -238.515 -12.839 101.710 1.00 0.00 H new ATOM 0 HB THR A 27 -237.332 -10.299 100.628 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.327 -11.277 98.496 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.526 -11.856 99.983 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.928 -12.009 101.710 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.509 -13.227 100.549 1.00 0.00 H new ATOM 424 N ILE A 28 -237.809 -11.525 103.706 1.00 0.00 N ATOM 425 CA ILE A 28 -237.567 -10.860 104.965 1.00 0.00 C ATOM 426 C ILE A 28 -236.096 -10.488 105.067 1.00 0.00 C ATOM 427 O ILE A 28 -235.346 -10.690 104.113 1.00 0.00 O ATOM 428 CB ILE A 28 -237.977 -11.752 106.147 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.924 -12.825 106.425 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.325 -12.390 105.847 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.243 -13.680 107.624 1.00 0.00 C ATOM 0 H ILE A 28 -237.396 -12.455 103.639 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.173 -9.955 105.005 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.056 -11.135 107.042 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.827 -13.464 105.548 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.958 -12.344 106.578 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.621 -13.024 106.682 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.072 -11.610 105.701 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.249 -12.993 104.942 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.455 -14.420 107.763 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.311 -13.051 108.512 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.194 -14.188 107.466 1.00 0.00 H new ATOM 443 N ASN A 29 -235.682 -9.969 106.207 1.00 0.00 N ATOM 444 CA ASN A 29 -234.303 -9.555 106.383 1.00 0.00 C ATOM 445 C ASN A 29 -233.925 -9.576 107.856 1.00 0.00 C ATOM 446 O ASN A 29 -234.755 -9.286 108.721 1.00 0.00 O ATOM 447 CB ASN A 29 -234.066 -8.160 105.801 1.00 0.00 C ATOM 448 CG ASN A 29 -234.910 -7.098 106.472 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.508 -6.502 107.471 1.00 0.00 O ATOM 450 ND2 ASN A 29 -236.086 -6.847 105.923 1.00 0.00 N ATOM 0 H ASN A 29 -236.278 -9.824 107.022 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.672 -10.262 105.844 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -233.012 -7.901 105.905 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.287 -8.173 104.734 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.697 -6.137 106.328 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.383 -7.363 105.095 1.00 0.00 H new ATOM 457 N GLY A 30 -232.677 -9.931 108.128 1.00 0.00 N ATOM 458 CA GLY A 30 -232.187 -10.009 109.492 1.00 0.00 C ATOM 459 C GLY A 30 -232.968 -11.006 110.321 1.00 0.00 C ATOM 460 O GLY A 30 -232.835 -12.216 110.139 1.00 0.00 O ATOM 0 H GLY A 30 -231.985 -10.170 107.418 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.134 -10.291 109.483 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.249 -9.025 109.956 1.00 0.00 H new ATOM 464 N GLY A 31 -233.792 -10.495 111.218 1.00 0.00 N ATOM 465 CA GLY A 31 -234.631 -11.348 112.028 1.00 0.00 C ATOM 466 C GLY A 31 -236.005 -10.748 112.215 1.00 0.00 C ATOM 467 O GLY A 31 -236.318 -10.217 113.278 1.00 0.00 O ATOM 0 H GLY A 31 -233.895 -9.497 111.401 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.720 -12.327 111.557 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.164 -11.503 113.001 1.00 0.00 H new ATOM 471 N THR A 32 -236.815 -10.801 111.171 1.00 0.00 N ATOM 472 CA THR A 32 -238.155 -10.242 111.209 1.00 0.00 C ATOM 473 C THR A 32 -239.137 -11.155 111.930 1.00 0.00 C ATOM 474 O THR A 32 -239.344 -12.296 111.508 1.00 0.00 O ATOM 475 CB THR A 32 -238.701 -10.032 109.806 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.309 -11.139 108.994 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.207 -8.737 109.181 1.00 0.00 C ATOM 0 H THR A 32 -236.565 -11.229 110.280 1.00 0.00 H new ATOM 0 HA THR A 32 -238.064 -9.295 111.741 1.00 0.00 H new ATOM 0 HB THR A 32 -239.787 -9.962 109.870 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.993 -11.839 109.044 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.625 -8.634 108.180 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.522 -7.893 109.795 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.119 -8.754 109.120 1.00 0.00 H new ATOM 485 N LYS A 33 -239.758 -10.665 112.997 1.00 0.00 N ATOM 486 CA LYS A 33 -240.864 -11.392 113.591 1.00 0.00 C ATOM 487 C LYS A 33 -242.088 -11.237 112.701 1.00 0.00 C ATOM 488 O LYS A 33 -242.056 -10.507 111.710 1.00 0.00 O ATOM 489 CB LYS A 33 -241.182 -10.912 115.004 1.00 0.00 C ATOM 490 CG LYS A 33 -241.567 -9.464 115.046 1.00 0.00 C ATOM 491 CD LYS A 33 -241.792 -8.965 116.468 1.00 0.00 C ATOM 492 CE LYS A 33 -240.604 -9.235 117.388 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.386 -8.484 116.982 1.00 0.00 N ATOM 0 H LYS A 33 -239.519 -9.787 113.457 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.578 -12.441 113.669 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.994 -11.512 115.414 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.313 -11.072 115.643 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.785 -8.869 114.574 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.476 -9.315 114.463 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -241.990 -7.893 116.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.680 -9.445 116.880 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -240.871 -8.963 118.409 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -240.385 -10.303 117.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.609 -8.702 117.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.113 -8.761 116.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -239.583 -7.463 117.006 1.00 0.00 H new ATOM 507 N ALA A 34 -243.171 -11.869 113.087 1.00 0.00 N ATOM 508 CA ALA A 34 -244.339 -11.993 112.228 1.00 0.00 C ATOM 509 C ALA A 34 -245.035 -10.657 111.953 1.00 0.00 C ATOM 510 O ALA A 34 -245.748 -10.535 110.969 1.00 0.00 O ATOM 511 CB ALA A 34 -245.320 -12.972 112.852 1.00 0.00 C ATOM 0 H ALA A 34 -243.274 -12.312 114.000 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.990 -12.361 111.263 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.196 -13.067 112.211 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.843 -13.946 112.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.626 -12.606 113.832 1.00 0.00 H new ATOM 517 N LYS A 35 -244.848 -9.663 112.815 1.00 0.00 N ATOM 518 CA LYS A 35 -245.603 -8.411 112.678 1.00 0.00 C ATOM 519 C LYS A 35 -244.943 -7.491 111.655 1.00 0.00 C ATOM 520 O LYS A 35 -245.593 -7.015 110.718 1.00 0.00 O ATOM 521 CB LYS A 35 -245.828 -7.722 114.043 1.00 0.00 C ATOM 522 CG LYS A 35 -244.580 -7.192 114.745 1.00 0.00 C ATOM 523 CD LYS A 35 -244.267 -5.762 114.333 1.00 0.00 C ATOM 524 CE LYS A 35 -245.381 -4.795 114.712 1.00 0.00 C ATOM 525 NZ LYS A 35 -245.416 -4.523 116.172 1.00 0.00 N ATOM 0 H LYS A 35 -244.197 -9.691 113.600 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.596 -8.654 112.299 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -246.518 -6.891 113.898 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -246.320 -8.432 114.708 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -244.723 -7.237 115.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.730 -7.833 114.510 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -243.337 -5.445 114.806 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.106 -5.723 113.256 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -245.245 -3.858 114.173 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -246.340 -5.207 114.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -246.189 -3.860 116.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -245.572 -5.413 116.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.511 -4.105 116.469 1.00 0.00 H new ATOM 539 N GLN A 36 -243.641 -7.272 111.818 1.00 0.00 N ATOM 540 CA GLN A 36 -242.868 -6.516 110.852 1.00 0.00 C ATOM 541 C GLN A 36 -242.882 -7.256 109.529 1.00 0.00 C ATOM 542 O GLN A 36 -242.658 -6.691 108.459 1.00 0.00 O ATOM 543 CB GLN A 36 -241.433 -6.319 111.344 1.00 0.00 C ATOM 544 CG GLN A 36 -241.313 -5.371 112.528 1.00 0.00 C ATOM 545 CD GLN A 36 -241.862 -3.989 112.227 1.00 0.00 C ATOM 546 OE1 GLN A 36 -241.835 -3.533 111.085 1.00 0.00 O ATOM 547 NE2 GLN A 36 -242.354 -3.306 113.248 1.00 0.00 N ATOM 0 H GLN A 36 -243.102 -7.611 112.615 1.00 0.00 H new ATOM 0 HA GLN A 36 -243.312 -5.529 110.723 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -241.019 -7.288 111.623 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.827 -5.938 110.523 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -241.846 -5.792 113.381 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -240.265 -5.287 112.817 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -242.360 -3.717 114.181 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -242.728 -2.368 113.102 1.00 0.00 H new ATOM 556 N LEU A 37 -243.125 -8.545 109.613 1.00 0.00 N ATOM 557 CA LEU A 37 -243.209 -9.344 108.437 1.00 0.00 C ATOM 558 C LEU A 37 -244.568 -9.302 107.795 1.00 0.00 C ATOM 559 O LEU A 37 -244.670 -9.367 106.584 1.00 0.00 O ATOM 560 CB LEU A 37 -242.827 -10.766 108.730 1.00 0.00 C ATOM 561 CG LEU A 37 -241.892 -11.288 107.689 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.640 -11.440 106.385 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.771 -10.284 107.510 1.00 0.00 C ATOM 0 H LEU A 37 -243.266 -9.051 110.487 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.502 -8.915 107.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.356 -10.826 109.711 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.722 -11.388 108.767 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.488 -12.254 107.990 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.964 -11.821 105.620 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.466 -12.138 106.519 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.030 -10.471 106.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.076 -10.646 106.753 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.186 -9.327 107.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.244 -10.155 108.455 1.00 0.00 H new ATOM 575 N LEU A 38 -245.610 -9.211 108.580 1.00 0.00 N ATOM 576 CA LEU A 38 -246.931 -9.087 108.014 1.00 0.00 C ATOM 577 C LEU A 38 -246.939 -7.872 107.088 1.00 0.00 C ATOM 578 O LEU A 38 -247.572 -7.877 106.044 1.00 0.00 O ATOM 579 CB LEU A 38 -247.975 -8.995 109.132 1.00 0.00 C ATOM 580 CG LEU A 38 -249.415 -9.222 108.679 1.00 0.00 C ATOM 581 CD1 LEU A 38 -250.161 -7.904 108.561 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.419 -9.967 107.350 1.00 0.00 C ATOM 0 H LEU A 38 -245.573 -9.220 109.599 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.193 -9.966 107.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.730 -9.728 109.901 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.905 -8.011 109.596 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.930 -9.826 109.427 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.184 -8.093 108.237 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -250.174 -7.405 109.530 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.661 -7.267 107.831 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.447 -10.129 107.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.892 -9.377 106.600 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -248.921 -10.929 107.471 1.00 0.00 H new ATOM 594 N GLN A 39 -246.152 -6.877 107.466 1.00 0.00 N ATOM 595 CA GLN A 39 -245.776 -5.776 106.631 1.00 0.00 C ATOM 596 C GLN A 39 -245.157 -6.233 105.340 1.00 0.00 C ATOM 597 O GLN A 39 -245.622 -5.883 104.274 1.00 0.00 O ATOM 598 CB GLN A 39 -244.684 -5.068 107.373 1.00 0.00 C ATOM 599 CG GLN A 39 -244.202 -3.856 106.663 1.00 0.00 C ATOM 600 CD GLN A 39 -243.128 -3.106 107.424 1.00 0.00 C ATOM 601 OE1 GLN A 39 -241.935 -3.367 107.260 1.00 0.00 O ATOM 602 NE2 GLN A 39 -243.543 -2.175 108.269 1.00 0.00 N ATOM 0 H GLN A 39 -245.749 -6.824 108.401 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.657 -5.174 106.411 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -245.046 -4.785 108.362 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.849 -5.753 107.523 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.812 -4.145 105.687 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -245.045 -3.188 106.484 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -244.541 -1.990 108.375 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -242.865 -1.642 108.814 1.00 0.00 H new ATOM 611 N GLN A 40 -244.083 -6.990 105.461 1.00 0.00 N ATOM 612 CA GLN A 40 -243.376 -7.520 104.309 1.00 0.00 C ATOM 613 C GLN A 40 -244.307 -8.309 103.389 1.00 0.00 C ATOM 614 O GLN A 40 -244.073 -8.419 102.185 1.00 0.00 O ATOM 615 CB GLN A 40 -242.212 -8.386 104.793 1.00 0.00 C ATOM 616 CG GLN A 40 -240.930 -7.599 104.950 1.00 0.00 C ATOM 617 CD GLN A 40 -240.577 -6.880 103.670 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.928 -5.836 103.680 1.00 0.00 O ATOM 619 NE2 GLN A 40 -241.037 -7.430 102.562 1.00 0.00 N ATOM 0 H GLN A 40 -243.676 -7.255 106.358 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.988 -6.689 103.720 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.475 -8.841 105.748 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.051 -9.200 104.086 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -241.039 -6.877 105.759 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.118 -8.271 105.230 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.571 -8.298 102.607 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.859 -6.987 101.661 1.00 0.00 H new ATOM 628 N ILE A 41 -245.370 -8.820 103.977 1.00 0.00 N ATOM 629 CA ILE A 41 -246.392 -9.578 103.272 1.00 0.00 C ATOM 630 C ILE A 41 -247.398 -8.630 102.629 1.00 0.00 C ATOM 631 O ILE A 41 -247.982 -8.906 101.579 1.00 0.00 O ATOM 632 CB ILE A 41 -247.096 -10.503 104.280 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.059 -11.425 104.942 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.210 -11.305 103.637 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.925 -11.847 104.019 1.00 0.00 C ATOM 0 H ILE A 41 -245.554 -8.720 104.975 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.935 -10.174 102.482 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.564 -9.882 105.044 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.637 -10.917 105.809 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.565 -12.318 105.310 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -248.678 -11.943 104.386 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -248.955 -10.626 103.223 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -247.799 -11.923 102.839 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.237 -12.495 104.561 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.333 -12.385 103.164 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.392 -10.963 103.670 1.00 0.00 H new ATOM 647 N LEU A 42 -247.573 -7.509 103.288 1.00 0.00 N ATOM 648 CA LEU A 42 -248.411 -6.420 102.827 1.00 0.00 C ATOM 649 C LEU A 42 -247.725 -5.642 101.733 1.00 0.00 C ATOM 650 O LEU A 42 -248.362 -4.917 100.966 1.00 0.00 O ATOM 651 CB LEU A 42 -248.665 -5.517 103.999 1.00 0.00 C ATOM 652 CG LEU A 42 -249.569 -6.148 105.029 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.380 -5.490 106.347 1.00 0.00 C ATOM 654 CD2 LEU A 42 -251.003 -6.050 104.591 1.00 0.00 C ATOM 0 H LEU A 42 -247.125 -7.321 104.185 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.344 -6.815 102.424 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.715 -5.256 104.465 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -249.113 -4.588 103.647 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.310 -7.202 105.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -250.037 -5.953 107.083 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -248.343 -5.603 106.665 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -249.620 -4.430 106.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.645 -6.509 105.343 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -251.276 -5.002 104.472 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.129 -6.568 103.641 1.00 0.00 H new ATOM 666 N THR A 43 -246.419 -5.805 101.689 1.00 0.00 N ATOM 667 CA THR A 43 -245.574 -5.063 100.800 1.00 0.00 C ATOM 668 C THR A 43 -245.763 -5.534 99.355 1.00 0.00 C ATOM 669 O THR A 43 -244.975 -6.309 98.807 1.00 0.00 O ATOM 670 CB THR A 43 -244.098 -5.181 101.253 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.919 -4.503 102.502 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.126 -4.613 100.240 1.00 0.00 C ATOM 0 H THR A 43 -245.916 -6.467 102.280 1.00 0.00 H new ATOM 0 HA THR A 43 -245.855 -4.010 100.836 1.00 0.00 H new ATOM 0 HB THR A 43 -243.884 -6.245 101.356 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.483 -4.922 103.185 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.107 -4.723 100.612 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.228 -5.150 99.297 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.342 -3.556 100.081 1.00 0.00 H new ATOM 823 N THR A 53 -253.232 -3.151 109.545 1.00 0.00 N ATOM 824 CA THR A 53 -254.454 -3.067 110.314 1.00 0.00 C ATOM 825 C THR A 53 -254.675 -4.351 111.123 1.00 0.00 C ATOM 826 O THR A 53 -253.721 -5.002 111.552 1.00 0.00 O ATOM 827 CB THR A 53 -255.661 -2.769 109.375 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.865 -2.564 110.123 1.00 0.00 O ATOM 829 CG2 THR A 53 -255.882 -3.890 108.366 1.00 0.00 C ATOM 0 HA THR A 53 -254.368 -2.244 111.023 1.00 0.00 H new ATOM 0 HB THR A 53 -255.415 -1.855 108.835 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.605 -2.378 109.508 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.732 -3.644 107.730 1.00 0.00 H new ATOM 0 HG22 THR A 53 -254.990 -4.007 107.750 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.082 -4.822 108.895 1.00 0.00 H new ATOM 837 N ASP A 54 -255.934 -4.697 111.312 1.00 0.00 N ATOM 838 CA ASP A 54 -256.363 -5.838 112.122 1.00 0.00 C ATOM 839 C ASP A 54 -255.954 -7.176 111.519 1.00 0.00 C ATOM 840 O ASP A 54 -256.365 -8.234 111.981 1.00 0.00 O ATOM 841 CB ASP A 54 -257.867 -5.796 112.250 1.00 0.00 C ATOM 842 CG ASP A 54 -258.340 -4.708 113.194 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.420 -4.963 114.414 1.00 0.00 O ATOM 844 OD2 ASP A 54 -258.611 -3.582 112.728 1.00 0.00 O ATOM 0 H ASP A 54 -256.712 -4.184 110.899 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.875 -5.758 113.093 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.308 -5.635 111.266 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.225 -6.762 112.606 1.00 0.00 H new ATOM 849 N TYR A 55 -255.158 -7.120 110.487 1.00 0.00 N ATOM 850 CA TYR A 55 -254.639 -8.325 109.865 1.00 0.00 C ATOM 851 C TYR A 55 -253.733 -9.078 110.821 1.00 0.00 C ATOM 852 O TYR A 55 -253.140 -8.494 111.726 1.00 0.00 O ATOM 853 CB TYR A 55 -253.821 -7.995 108.627 1.00 0.00 C ATOM 854 CG TYR A 55 -254.593 -7.365 107.507 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.866 -7.797 107.190 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.032 -6.345 106.757 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.571 -7.230 106.156 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.725 -5.765 105.720 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.997 -6.210 105.420 1.00 0.00 C ATOM 860 OH TYR A 55 -256.696 -5.631 104.386 1.00 0.00 O ATOM 0 H TYR A 55 -254.848 -6.252 110.051 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.501 -8.935 109.595 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -253.012 -7.323 108.913 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.360 -8.912 108.260 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -256.315 -8.594 107.765 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.035 -6.000 106.990 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.566 -7.578 105.920 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.278 -4.968 105.145 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.149 -4.930 103.974 1.00 0.00 H new ATOM 870 N PHE A 56 -253.626 -10.376 110.606 1.00 0.00 N ATOM 871 CA PHE A 56 -252.673 -11.191 111.331 1.00 0.00 C ATOM 872 C PHE A 56 -252.326 -12.415 110.514 1.00 0.00 C ATOM 873 O PHE A 56 -253.130 -12.903 109.719 1.00 0.00 O ATOM 874 CB PHE A 56 -253.195 -11.602 112.716 1.00 0.00 C ATOM 875 CG PHE A 56 -254.474 -12.388 112.691 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.463 -13.770 112.543 1.00 0.00 C ATOM 877 CD2 PHE A 56 -255.687 -11.738 112.821 1.00 0.00 C ATOM 878 CE1 PHE A 56 -255.653 -14.478 112.521 1.00 0.00 C ATOM 879 CE2 PHE A 56 -256.870 -12.440 112.801 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.860 -13.809 112.649 1.00 0.00 C ATOM 0 H PHE A 56 -254.192 -10.890 109.930 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.777 -10.591 111.493 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -252.429 -12.194 113.218 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -253.347 -10.704 113.314 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -253.523 -14.293 112.445 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -255.706 -10.665 112.940 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -255.640 -15.552 112.404 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -257.809 -11.916 112.905 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.789 -14.359 112.630 1.00 0.00 H new ATOM 890 N LEU A 57 -251.136 -12.912 110.735 1.00 0.00 N ATOM 891 CA LEU A 57 -250.639 -14.070 110.047 1.00 0.00 C ATOM 892 C LEU A 57 -250.839 -15.250 110.987 1.00 0.00 C ATOM 893 O LEU A 57 -250.848 -15.062 112.193 1.00 0.00 O ATOM 894 CB LEU A 57 -249.169 -13.788 109.670 1.00 0.00 C ATOM 895 CG LEU A 57 -248.121 -14.812 110.084 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.401 -16.131 109.420 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.731 -14.316 109.722 1.00 0.00 C ATOM 0 H LEU A 57 -250.478 -12.517 111.407 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.157 -14.303 109.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -249.117 -13.674 108.587 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -248.890 -12.828 110.105 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.167 -14.950 111.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -247.647 -16.858 109.722 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.387 -16.487 109.719 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.373 -16.007 108.337 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -245.990 -15.057 110.023 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.670 -14.159 108.645 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.534 -13.376 110.238 1.00 0.00 H new ATOM 909 N MET A 58 -251.068 -16.442 110.451 1.00 0.00 N ATOM 910 CA MET A 58 -251.453 -17.567 111.287 1.00 0.00 C ATOM 911 C MET A 58 -251.134 -18.917 110.636 1.00 0.00 C ATOM 912 O MET A 58 -250.994 -19.016 109.409 1.00 0.00 O ATOM 913 CB MET A 58 -252.930 -17.469 111.585 1.00 0.00 C ATOM 914 CG MET A 58 -253.772 -17.786 110.395 1.00 0.00 C ATOM 915 SD MET A 58 -254.354 -19.479 110.412 1.00 0.00 S ATOM 916 CE MET A 58 -256.089 -19.122 110.427 1.00 0.00 C ATOM 0 H MET A 58 -250.995 -16.652 109.455 1.00 0.00 H new ATOM 0 HA MET A 58 -250.873 -17.519 112.209 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.180 -18.152 112.396 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.162 -16.462 111.933 1.00 0.00 H new ATOM 0 HG2 MET A 58 -254.626 -17.110 110.366 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.196 -17.611 109.487 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.640 -20.009 110.739 1.00 0.00 H new ATOM 0 HE2 MET A 58 -256.287 -18.308 111.124 1.00 0.00 H new ATOM 0 HE3 MET A 58 -256.409 -18.829 109.427 1.00 0.00 H new ATOM 926 N GLU A 59 -251.020 -19.939 111.480 1.00 0.00 N ATOM 927 CA GLU A 59 -250.715 -21.295 111.043 1.00 0.00 C ATOM 928 C GLU A 59 -251.982 -22.133 110.910 1.00 0.00 C ATOM 929 O GLU A 59 -252.802 -22.188 111.828 1.00 0.00 O ATOM 930 CB GLU A 59 -249.815 -22.001 112.054 1.00 0.00 C ATOM 931 CG GLU A 59 -248.520 -21.292 112.376 1.00 0.00 C ATOM 932 CD GLU A 59 -247.694 -22.101 113.348 1.00 0.00 C ATOM 933 OE1 GLU A 59 -246.906 -22.956 112.894 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.854 -21.918 114.570 1.00 0.00 O ATOM 0 H GLU A 59 -251.137 -19.848 112.489 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.218 -21.205 110.077 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -250.374 -22.138 112.979 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.580 -22.995 111.674 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.953 -21.126 111.460 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -248.733 -20.311 112.801 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.988 -21.808 114.467 1.00 0.00 N ATOM 1263 CA ARG A 78 -253.236 -20.953 115.373 1.00 0.00 C ATOM 1264 C ARG A 78 -253.020 -19.577 114.771 1.00 0.00 C ATOM 1265 O ARG A 78 -252.249 -19.422 113.827 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.874 -21.566 115.708 1.00 0.00 C ATOM 1267 CG ARG A 78 -251.940 -22.940 116.347 1.00 0.00 C ATOM 1268 CD ARG A 78 -250.592 -23.325 116.937 1.00 0.00 C ATOM 1269 NE ARG A 78 -250.267 -22.512 118.108 1.00 0.00 N ATOM 1270 CZ ARG A 78 -249.368 -21.525 118.124 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -248.652 -21.233 117.040 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -249.179 -20.827 119.233 1.00 0.00 N ATOM 0 HA ARG A 78 -253.824 -20.860 116.286 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.286 -21.633 114.793 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -251.342 -20.892 116.380 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -252.700 -22.947 117.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -252.241 -23.678 115.604 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -250.604 -24.379 117.216 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.815 -23.204 116.182 1.00 0.00 H new ATOM 0 HE ARG A 78 -250.763 -22.714 118.976 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -248.786 -21.766 116.181 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -247.969 -20.476 117.069 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -249.719 -21.044 120.071 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -248.493 -20.072 119.250 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.683 -18.580 115.331 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.504 -17.209 114.886 1.00 0.00 C ATOM 1288 C ALA A 79 -252.180 -16.656 115.451 1.00 0.00 C ATOM 1289 O ALA A 79 -252.067 -16.432 116.658 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.679 -16.353 115.338 1.00 0.00 C ATOM 0 H ALA A 79 -254.350 -18.694 116.094 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.463 -17.183 113.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.534 -15.327 114.999 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.602 -16.748 114.913 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.744 -16.369 116.426 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.187 -16.449 114.587 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.832 -16.075 115.017 1.00 0.00 C ATOM 1298 C ILE A 80 -249.787 -14.710 115.710 1.00 0.00 C ATOM 1299 O ILE A 80 -250.442 -13.758 115.281 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.853 -16.066 113.839 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.582 -17.491 113.390 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.549 -15.371 114.203 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.554 -17.556 112.305 1.00 0.00 C ATOM 0 H ILE A 80 -251.293 -16.534 113.576 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.532 -16.836 115.738 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.308 -15.506 113.021 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -248.246 -18.081 114.243 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -249.510 -17.941 113.037 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -246.878 -15.383 113.344 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.754 -14.339 114.489 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.080 -15.892 115.037 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.394 -18.595 112.017 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -247.901 -16.989 111.441 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -246.617 -17.131 112.665 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.023 -14.634 116.792 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.718 -13.359 117.407 1.00 0.00 C ATOM 1317 C GLY A 81 -247.290 -12.940 117.107 1.00 0.00 C ATOM 1318 O GLY A 81 -246.452 -13.790 116.820 1.00 0.00 O ATOM 0 H GLY A 81 -248.607 -15.441 117.257 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.409 -12.600 117.040 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -248.862 -13.427 118.485 1.00 0.00 H new ATOM 1322 N PRO A 82 -246.977 -11.640 117.172 1.00 0.00 N ATOM 1323 CA PRO A 82 -245.652 -11.117 116.840 1.00 0.00 C ATOM 1324 C PRO A 82 -244.533 -11.708 117.688 1.00 0.00 C ATOM 1325 O PRO A 82 -243.409 -11.868 117.213 1.00 0.00 O ATOM 1326 CB PRO A 82 -245.780 -9.614 117.085 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.236 -9.354 116.994 1.00 0.00 C ATOM 1328 CD PRO A 82 -247.875 -10.570 117.583 1.00 0.00 C ATOM 0 HA PRO A 82 -245.376 -11.375 115.818 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.386 -9.335 118.062 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.226 -9.041 116.342 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -247.513 -8.455 117.544 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.548 -9.204 115.960 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -247.951 -10.501 118.668 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -248.885 -10.721 117.201 1.00 0.00 H new ATOM 1336 N GLU A 83 -244.842 -11.999 118.946 1.00 0.00 N ATOM 1337 CA GLU A 83 -243.926 -12.678 119.841 1.00 0.00 C ATOM 1338 C GLU A 83 -243.420 -13.978 119.224 1.00 0.00 C ATOM 1339 O GLU A 83 -242.245 -14.325 119.338 1.00 0.00 O ATOM 1340 CB GLU A 83 -244.637 -12.983 121.147 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.117 -11.745 121.881 1.00 0.00 C ATOM 1342 CD GLU A 83 -246.394 -11.167 121.307 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -247.486 -11.635 121.687 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -246.313 -10.245 120.472 1.00 0.00 O ATOM 0 H GLU A 83 -245.740 -11.768 119.371 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.070 -12.027 120.021 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.491 -13.629 120.944 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -243.963 -13.542 121.796 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -245.278 -11.992 122.930 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -244.336 -10.986 121.848 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.332 -14.688 118.584 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.015 -15.934 117.911 1.00 0.00 C ATOM 1353 C GLU A 84 -243.400 -15.641 116.546 1.00 0.00 C ATOM 1354 O GLU A 84 -244.103 -15.318 115.588 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.283 -16.772 117.757 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.012 -16.991 119.072 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.392 -17.582 118.889 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.314 -16.837 118.486 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.567 -18.783 119.168 1.00 0.00 O ATOM 0 H GLU A 84 -245.313 -14.417 118.516 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.294 -16.495 118.505 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -245.954 -16.280 117.053 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.023 -17.739 117.326 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.420 -17.653 119.704 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.096 -16.040 119.598 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.083 -15.723 116.471 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.377 -15.401 115.242 1.00 0.00 C ATOM 1368 C GLU A 85 -241.463 -16.555 114.249 1.00 0.00 C ATOM 1369 O GLU A 85 -241.288 -17.720 114.609 1.00 0.00 O ATOM 1370 CB GLU A 85 -239.922 -15.057 115.535 1.00 0.00 C ATOM 1371 CG GLU A 85 -239.754 -13.855 116.448 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.310 -13.413 116.555 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -237.572 -13.955 117.400 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -237.897 -12.522 115.784 1.00 0.00 O ATOM 0 H GLU A 85 -241.482 -16.009 117.244 1.00 0.00 H new ATOM 0 HA GLU A 85 -241.855 -14.530 114.794 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.438 -15.920 115.992 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.407 -14.863 114.594 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.358 -13.029 116.072 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.131 -14.100 117.441 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.717 -16.218 112.994 1.00 0.00 N ATOM 1382 CA ILE A 86 -241.925 -17.216 111.954 1.00 0.00 C ATOM 1383 C ILE A 86 -240.664 -18.027 111.685 1.00 0.00 C ATOM 1384 O ILE A 86 -240.736 -19.187 111.282 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.412 -16.567 110.645 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.411 -15.512 110.156 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.779 -15.950 110.868 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.784 -14.884 108.829 1.00 0.00 C ATOM 0 H ILE A 86 -241.785 -15.254 112.669 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.696 -17.893 112.322 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.488 -17.333 109.873 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.328 -14.727 110.908 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.427 -15.972 110.066 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.126 -15.490 109.943 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.482 -16.725 111.174 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.713 -15.191 111.648 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.029 -14.149 108.549 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.838 -15.657 108.063 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.753 -14.393 108.918 1.00 0.00 H new ATOM 1400 N MET A 87 -239.512 -17.426 111.931 1.00 0.00 N ATOM 1401 CA MET A 87 -238.250 -18.114 111.734 1.00 0.00 C ATOM 1402 C MET A 87 -238.053 -19.156 112.827 1.00 0.00 C ATOM 1403 O MET A 87 -237.287 -20.105 112.664 1.00 0.00 O ATOM 1404 CB MET A 87 -237.088 -17.120 111.704 1.00 0.00 C ATOM 1405 CG MET A 87 -235.824 -17.688 111.079 1.00 0.00 C ATOM 1406 SD MET A 87 -236.127 -18.451 109.465 1.00 0.00 S ATOM 1407 CE MET A 87 -236.978 -17.125 108.603 1.00 0.00 C ATOM 0 H MET A 87 -239.426 -16.467 112.266 1.00 0.00 H new ATOM 0 HA MET A 87 -238.272 -18.622 110.770 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.392 -16.233 111.148 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.868 -16.798 112.722 1.00 0.00 H new ATOM 0 HG2 MET A 87 -235.089 -16.891 110.968 1.00 0.00 H new ATOM 0 HG3 MET A 87 -235.392 -18.429 111.752 1.00 0.00 H new ATOM 0 HE1 MET A 87 -236.782 -17.201 107.534 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.050 -17.204 108.782 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.619 -16.163 108.970 1.00 0.00 H new ATOM 1417 N GLN A 88 -238.772 -18.991 113.934 1.00 0.00 N ATOM 1418 CA GLN A 88 -238.733 -19.972 115.011 1.00 0.00 C ATOM 1419 C GLN A 88 -239.583 -21.154 114.608 1.00 0.00 C ATOM 1420 O GLN A 88 -239.244 -22.314 114.856 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.261 -19.386 116.317 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.462 -18.201 116.808 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.025 -17.596 118.079 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -240.234 -17.628 118.321 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -238.153 -17.044 118.901 1.00 0.00 N ATOM 0 H GLN A 88 -239.384 -18.193 114.107 1.00 0.00 H new ATOM 0 HA GLN A 88 -237.699 -20.276 115.177 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.299 -19.083 116.178 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.256 -20.161 117.083 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.432 -18.512 116.985 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.436 -17.439 116.029 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -237.161 -17.038 118.664 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -238.471 -16.623 119.774 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.689 -20.823 113.961 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.624 -21.796 113.437 1.00 0.00 C ATOM 1436 C ILE A 89 -240.934 -22.718 112.441 1.00 0.00 C ATOM 1437 O ILE A 89 -241.044 -23.939 112.515 1.00 0.00 O ATOM 1438 CB ILE A 89 -242.789 -21.083 112.742 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.351 -20.008 113.669 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -243.870 -22.076 112.343 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -243.728 -20.508 115.049 1.00 0.00 C ATOM 0 H ILE A 89 -240.963 -19.856 113.784 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.002 -22.390 114.269 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.425 -20.610 111.830 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.613 -19.213 113.773 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.232 -19.567 113.202 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -244.687 -21.547 111.852 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.452 -22.814 111.658 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.248 -22.580 113.233 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.118 -19.681 115.642 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.491 -21.282 114.960 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -242.847 -20.922 115.539 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.208 -22.106 111.519 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.486 -22.831 110.485 1.00 0.00 C ATOM 1455 C LEU A 90 -238.272 -23.553 111.060 1.00 0.00 C ATOM 1456 O LEU A 90 -237.831 -24.570 110.525 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.066 -21.855 109.388 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.232 -21.147 108.697 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -239.758 -19.880 108.012 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -240.896 -22.073 107.691 1.00 0.00 C ATOM 0 H LEU A 90 -240.102 -21.093 111.466 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.143 -23.591 110.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.404 -21.104 109.820 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -238.488 -22.396 108.638 1.00 0.00 H new ATOM 0 HG LEU A 90 -240.965 -20.875 109.457 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -240.603 -19.391 107.526 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.325 -19.207 108.752 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.005 -20.130 107.265 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -241.724 -21.553 107.209 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.168 -22.374 106.938 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.273 -22.957 108.204 1.00 0.00 H new ATOM 1472 N SER A 91 -237.736 -23.023 112.153 1.00 0.00 N ATOM 1473 CA SER A 91 -236.624 -23.661 112.844 1.00 0.00 C ATOM 1474 C SER A 91 -237.093 -24.964 113.487 1.00 0.00 C ATOM 1475 O SER A 91 -236.476 -26.018 113.316 1.00 0.00 O ATOM 1476 CB SER A 91 -236.055 -22.714 113.906 1.00 0.00 C ATOM 1477 OG SER A 91 -234.902 -23.258 114.526 1.00 0.00 O ATOM 0 H SER A 91 -238.054 -22.153 112.579 1.00 0.00 H new ATOM 0 HA SER A 91 -235.837 -23.889 112.125 1.00 0.00 H new ATOM 0 HB2 SER A 91 -235.805 -21.758 113.446 1.00 0.00 H new ATOM 0 HB3 SER A 91 -236.815 -22.514 114.661 1.00 0.00 H new ATOM 0 HG SER A 91 -234.563 -22.629 115.196 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.470 -21.017 105.848 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.759 -19.697 106.376 1.00 0.00 C ATOM 1660 C ILE A 103 -250.919 -19.080 105.635 1.00 0.00 C ATOM 1661 O ILE A 103 -250.835 -18.852 104.437 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.555 -18.739 106.242 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.459 -19.103 107.248 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.990 -17.285 106.410 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.380 -18.047 107.369 1.00 0.00 C ATOM 0 HA ILE A 103 -249.994 -19.831 107.432 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.145 -18.850 105.238 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.912 -19.263 108.226 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.002 -20.047 106.951 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.123 -16.632 106.311 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.723 -17.034 105.643 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.435 -17.150 107.396 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.636 -18.369 108.098 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.901 -17.904 106.400 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.825 -17.107 107.696 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.985 -18.780 106.334 1.00 0.00 N ATOM 1678 CA VAL A 104 -253.076 -18.081 105.731 1.00 0.00 C ATOM 1679 C VAL A 104 -253.169 -16.749 106.395 1.00 0.00 C ATOM 1680 O VAL A 104 -253.510 -16.652 107.570 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.422 -18.818 105.851 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.568 -19.878 104.772 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.574 -19.431 107.204 1.00 0.00 C ATOM 0 H VAL A 104 -252.114 -19.011 107.319 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.880 -17.997 104.662 1.00 0.00 H new ATOM 0 HB VAL A 104 -255.214 -18.082 105.713 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.529 -20.381 104.884 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.517 -19.407 103.790 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.764 -20.607 104.867 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.533 -19.946 107.264 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.767 -20.145 107.373 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.533 -18.651 107.964 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.783 -15.729 105.682 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.925 -14.413 106.210 1.00 0.00 C ATOM 1695 C LEU A 105 -254.402 -14.163 106.439 1.00 0.00 C ATOM 1696 O LEU A 105 -255.211 -14.277 105.515 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.362 -13.371 105.266 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.459 -11.959 105.799 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.871 -11.931 107.189 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.748 -10.985 104.873 1.00 0.00 C ATOM 0 H LEU A 105 -252.375 -15.786 104.749 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.368 -14.335 107.143 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.317 -13.603 105.063 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.892 -13.429 104.315 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.503 -11.648 105.845 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -251.932 -10.919 107.590 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -252.428 -12.611 107.833 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.827 -12.243 107.149 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.830 -9.975 105.275 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.696 -11.260 104.794 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.208 -11.021 103.885 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.758 -13.865 107.661 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.152 -13.726 108.015 1.00 0.00 C ATOM 1714 C LYS A 106 -256.462 -12.278 108.377 1.00 0.00 C ATOM 1715 O LYS A 106 -255.587 -11.407 108.328 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.526 -14.647 109.179 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.277 -16.121 108.901 1.00 0.00 C ATOM 1718 CD LYS A 106 -256.949 -16.596 107.616 1.00 0.00 C ATOM 1719 CE LYS A 106 -258.448 -16.802 107.782 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.763 -17.925 108.708 1.00 0.00 N ATOM 0 H LYS A 106 -254.105 -13.713 108.430 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.747 -14.016 107.149 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.957 -14.352 110.061 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.580 -14.505 109.418 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.204 -16.298 108.833 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.645 -16.713 109.739 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -256.771 -15.866 106.826 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -256.491 -17.531 107.295 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -258.899 -15.885 108.160 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -258.896 -17.000 106.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.789 -18.094 108.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -258.271 -18.785 108.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.449 -17.681 109.669 1.00 0.00 H new ATOM 1734 N THR A 107 -257.697 -12.036 108.770 1.00 0.00 N ATOM 1735 CA THR A 107 -258.142 -10.741 109.184 1.00 0.00 C ATOM 1736 C THR A 107 -258.783 -10.906 110.552 1.00 0.00 C ATOM 1737 O THR A 107 -259.299 -11.977 110.877 1.00 0.00 O ATOM 1738 CB THR A 107 -259.182 -10.160 108.202 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.334 -11.015 108.149 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.601 -10.014 106.805 1.00 0.00 C ATOM 0 H THR A 107 -258.423 -12.752 108.807 1.00 0.00 H new ATOM 0 HA THR A 107 -257.296 -10.054 109.211 1.00 0.00 H new ATOM 0 HB THR A 107 -259.468 -9.172 108.563 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.991 -10.640 107.526 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.358 -9.603 106.137 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.742 -9.344 106.836 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.286 -10.991 106.438 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.746 -9.871 111.344 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.367 -9.872 112.671 1.00 0.00 C ATOM 1750 C GLN A 108 -260.871 -9.638 112.530 1.00 0.00 C ATOM 1751 O GLN A 108 -261.525 -9.066 113.403 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.733 -8.778 113.525 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.894 -8.965 115.019 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.330 -10.284 115.509 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.033 -11.295 115.568 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -257.054 -10.287 115.855 1.00 0.00 N ATOM 0 H GLN A 108 -258.287 -8.993 111.102 1.00 0.00 H new ATOM 0 HA GLN A 108 -259.207 -10.835 113.156 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.669 -8.725 113.292 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.169 -7.819 113.244 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -258.396 -8.146 115.539 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -259.952 -8.909 115.276 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -256.506 -9.429 115.792 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -256.617 -11.148 116.185 1.00 0.00 H new