USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 483 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ 175:sc= 1.15 (180deg=-0.0427) USER MOD Set 1.2: A 36 GLN : amide:sc= 0.852 K(o=2,f=-13!) USER MOD Single : A 9 THR OG1 : rot 46:sc= 0.516 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= -0.117 USER MOD Single : A 15 HIS : no HD1:sc= -1.97 X(o=-2,f=-2.3!) 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=-0.028) USER MOD Single : A 32 THR OG1 : rot -91:sc= -4.12! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.928 F(o=-2.9!,f=-0.93) USER MOD Single : A 43 THR OG1 : rot 38:sc= 0.481 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.714 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 165:sc= -0.972! (180deg=-2.24!) USER MOD Single : A 87 MET CE :methyl 148:sc= -0.235 (180deg=-0.712) USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0122 F(o=-0.79,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -232.232 -13.411 105.432 1.00 0.00 N ATOM 134 CA THR A 9 -233.202 -13.116 104.398 1.00 0.00 C ATOM 135 C THR A 9 -233.875 -14.399 103.921 1.00 0.00 C ATOM 136 O THR A 9 -233.288 -15.201 103.197 1.00 0.00 O ATOM 137 CB THR A 9 -232.545 -12.385 103.208 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.453 -13.158 102.686 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.033 -11.017 103.634 1.00 0.00 C ATOM 0 HA THR A 9 -233.957 -12.456 104.825 1.00 0.00 H new ATOM 0 HB THR A 9 -233.301 -12.258 102.433 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.730 -14.093 102.592 1.00 0.00 H new ATOM 0 HG21 THR A 9 -231.574 -10.518 102.780 1.00 0.00 H new ATOM 0 HG22 THR A 9 -232.865 -10.415 104.001 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.294 -11.136 104.426 1.00 0.00 H new ATOM 147 N HIS A 10 -235.092 -14.614 104.381 1.00 0.00 N ATOM 148 CA HIS A 10 -235.879 -15.766 103.964 1.00 0.00 C ATOM 149 C HIS A 10 -237.208 -15.314 103.415 1.00 0.00 C ATOM 150 O HIS A 10 -237.830 -14.405 103.945 1.00 0.00 O ATOM 151 CB HIS A 10 -236.132 -16.736 105.119 1.00 0.00 C ATOM 152 CG HIS A 10 -234.917 -17.459 105.604 1.00 0.00 C ATOM 153 ND1 HIS A 10 -234.637 -18.764 105.264 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.919 -17.065 106.428 1.00 0.00 C ATOM 155 CE1 HIS A 10 -233.519 -19.142 105.854 1.00 0.00 C ATOM 156 NE2 HIS A 10 -233.064 -18.129 106.568 1.00 0.00 N ATOM 0 H HIS A 10 -235.563 -14.003 105.048 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.305 -16.284 103.196 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.566 -16.183 105.952 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.873 -17.470 104.803 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.815 -16.094 106.889 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -233.055 -20.114 105.768 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -232.214 -18.136 107.132 1.00 0.00 H new ATOM 165 N ARG A 11 -237.633 -15.931 102.347 1.00 0.00 N ATOM 166 CA ARG A 11 -238.916 -15.651 101.798 1.00 0.00 C ATOM 167 C ARG A 11 -239.943 -16.612 102.365 1.00 0.00 C ATOM 168 O ARG A 11 -239.728 -17.823 102.391 1.00 0.00 O ATOM 169 CB ARG A 11 -238.863 -15.719 100.292 1.00 0.00 C ATOM 170 CG ARG A 11 -239.645 -14.585 99.711 1.00 0.00 C ATOM 171 CD ARG A 11 -239.257 -14.277 98.287 1.00 0.00 C ATOM 172 NE ARG A 11 -239.588 -15.363 97.366 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.356 -15.212 96.287 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.900 -14.034 96.014 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.592 -16.237 95.481 1.00 0.00 N ATOM 0 H ARG A 11 -237.098 -16.637 101.841 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.215 -14.640 102.074 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.828 -15.672 99.952 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.270 -16.669 99.946 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.708 -14.825 99.749 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.497 -13.696 100.324 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.763 -13.366 97.966 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -238.186 -14.080 98.241 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.209 -16.290 97.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.731 -13.239 96.631 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -241.487 -13.923 95.187 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -240.185 -17.150 95.684 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -241.181 -16.113 94.657 1.00 0.00 H new ATOM 189 N VAL A 12 -241.053 -16.068 102.818 1.00 0.00 N ATOM 190 CA VAL A 12 -242.078 -16.855 103.471 1.00 0.00 C ATOM 191 C VAL A 12 -243.346 -16.832 102.626 1.00 0.00 C ATOM 192 O VAL A 12 -243.882 -15.763 102.314 1.00 0.00 O ATOM 193 CB VAL A 12 -242.342 -16.333 104.904 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.484 -14.817 104.908 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.571 -16.996 105.510 1.00 0.00 C ATOM 0 H VAL A 12 -241.270 -15.074 102.745 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.739 -17.887 103.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.483 -16.595 105.522 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.669 -14.472 105.925 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.566 -14.365 104.532 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.319 -14.528 104.269 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.733 -16.611 106.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.443 -16.778 104.893 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.418 -18.074 105.554 1.00 0.00 H new ATOM 205 N THR A 13 -243.782 -18.010 102.194 1.00 0.00 N ATOM 206 CA THR A 13 -244.911 -18.110 101.285 1.00 0.00 C ATOM 207 C THR A 13 -246.215 -17.868 102.050 1.00 0.00 C ATOM 208 O THR A 13 -246.573 -18.646 102.938 1.00 0.00 O ATOM 209 CB THR A 13 -244.989 -19.502 100.628 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.713 -19.861 100.080 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.053 -19.519 99.532 1.00 0.00 C ATOM 0 H THR A 13 -243.370 -18.905 102.459 1.00 0.00 H new ATOM 0 HA THR A 13 -244.772 -17.358 100.508 1.00 0.00 H new ATOM 0 HB THR A 13 -245.265 -20.230 101.391 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.772 -20.747 99.666 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.094 -20.510 99.080 1.00 0.00 H new ATOM 0 HG22 THR A 13 -247.024 -19.277 99.964 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.802 -18.782 98.769 1.00 0.00 H new ATOM 219 N VAL A 14 -246.915 -16.807 101.710 1.00 0.00 N ATOM 220 CA VAL A 14 -248.133 -16.440 102.405 1.00 0.00 C ATOM 221 C VAL A 14 -249.362 -16.757 101.551 1.00 0.00 C ATOM 222 O VAL A 14 -249.369 -16.529 100.342 1.00 0.00 O ATOM 223 CB VAL A 14 -248.075 -14.948 102.804 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.435 -14.388 103.188 1.00 0.00 C ATOM 225 CG2 VAL A 14 -247.090 -14.769 103.946 1.00 0.00 C ATOM 0 H VAL A 14 -246.659 -16.177 100.949 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.220 -17.031 103.317 1.00 0.00 H new ATOM 0 HB VAL A 14 -247.743 -14.387 101.930 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.333 -13.337 103.459 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.118 -14.480 102.344 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.831 -14.944 104.038 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.048 -13.717 104.229 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.413 -15.362 104.802 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.101 -15.099 103.629 1.00 0.00 H new ATOM 235 N HIS A 15 -250.379 -17.330 102.184 1.00 0.00 N ATOM 236 CA HIS A 15 -251.589 -17.756 101.484 1.00 0.00 C ATOM 237 C HIS A 15 -252.714 -16.744 101.613 1.00 0.00 C ATOM 238 O HIS A 15 -253.721 -16.844 100.922 1.00 0.00 O ATOM 239 CB HIS A 15 -252.066 -19.102 102.027 1.00 0.00 C ATOM 240 CG HIS A 15 -251.701 -20.250 101.143 1.00 0.00 C ATOM 241 ND1 HIS A 15 -252.215 -20.419 99.873 1.00 0.00 N ATOM 242 CD2 HIS A 15 -250.843 -21.276 101.339 1.00 0.00 C ATOM 243 CE1 HIS A 15 -251.685 -21.502 99.329 1.00 0.00 C ATOM 244 NE2 HIS A 15 -250.851 -22.036 100.198 1.00 0.00 N ATOM 0 H HIS A 15 -250.391 -17.512 103.188 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.331 -17.844 100.429 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.637 -19.261 103.016 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -253.149 -19.075 102.150 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -250.260 -21.462 102.229 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.899 -21.883 98.342 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -250.299 -22.880 100.046 1.00 0.00 H new ATOM 253 N GLY A 16 -252.548 -15.786 102.503 1.00 0.00 N ATOM 254 CA GLY A 16 -253.602 -14.801 102.720 1.00 0.00 C ATOM 255 C GLY A 16 -253.214 -13.432 102.209 1.00 0.00 C ATOM 256 O GLY A 16 -253.644 -12.411 102.736 1.00 0.00 O ATOM 0 H GLY A 16 -251.715 -15.664 103.079 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.513 -15.129 102.220 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.827 -14.740 103.785 1.00 0.00 H new ATOM 260 N VAL A 17 -252.389 -13.426 101.184 1.00 0.00 N ATOM 261 CA VAL A 17 -251.812 -12.205 100.654 1.00 0.00 C ATOM 262 C VAL A 17 -252.859 -11.271 100.040 1.00 0.00 C ATOM 263 O VAL A 17 -253.939 -11.703 99.632 1.00 0.00 O ATOM 264 CB VAL A 17 -250.753 -12.531 99.587 1.00 0.00 C ATOM 265 CG1 VAL A 17 -249.760 -13.539 100.112 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.397 -13.033 98.301 1.00 0.00 C ATOM 0 H VAL A 17 -252.097 -14.270 100.692 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.356 -11.690 101.500 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.221 -11.608 99.355 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.020 -13.756 99.342 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.260 -13.133 100.992 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.282 -14.457 100.382 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.621 -13.254 97.568 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -251.968 -13.938 98.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.063 -12.267 97.904 1.00 0.00 H new ATOM 326 N PRO A 22 -252.542 -16.374 94.512 1.00 0.00 N ATOM 327 CA PRO A 22 -253.320 -17.158 95.483 1.00 0.00 C ATOM 328 C PRO A 22 -252.478 -17.436 96.697 1.00 0.00 C ATOM 329 O PRO A 22 -252.951 -17.630 97.818 1.00 0.00 O ATOM 330 CB PRO A 22 -253.600 -18.465 94.737 1.00 0.00 C ATOM 331 CG PRO A 22 -253.067 -18.257 93.359 1.00 0.00 C ATOM 332 CD PRO A 22 -252.006 -17.228 93.455 1.00 0.00 C ATOM 0 HA PRO A 22 -254.225 -16.653 95.822 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.110 -19.308 95.224 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.667 -18.685 94.716 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.666 -19.187 92.956 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.859 -17.932 92.684 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.039 -17.656 93.721 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -251.869 -16.688 92.518 1.00 0.00 H new ATOM 340 N PHE A 23 -251.215 -17.489 96.403 1.00 0.00 N ATOM 341 CA PHE A 23 -250.168 -17.606 97.391 1.00 0.00 C ATOM 342 C PHE A 23 -248.925 -16.950 96.834 1.00 0.00 C ATOM 343 O PHE A 23 -248.541 -17.208 95.694 1.00 0.00 O ATOM 344 CB PHE A 23 -249.894 -19.076 97.751 1.00 0.00 C ATOM 345 CG PHE A 23 -249.468 -19.944 96.596 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.403 -20.451 95.707 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.131 -20.255 96.403 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.013 -21.248 94.649 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.735 -21.052 95.347 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.677 -21.550 94.468 1.00 0.00 C ATOM 0 H PHE A 23 -250.867 -17.452 95.445 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.478 -17.110 98.311 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -249.119 -19.109 98.516 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.796 -19.501 98.192 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.449 -20.220 95.844 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.390 -19.869 97.087 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.752 -21.635 93.963 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.690 -21.286 95.209 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.370 -22.174 93.642 1.00 0.00 H new ATOM 360 N THR A 24 -248.329 -16.073 97.606 1.00 0.00 N ATOM 361 CA THR A 24 -247.118 -15.421 97.177 1.00 0.00 C ATOM 362 C THR A 24 -246.191 -15.233 98.361 1.00 0.00 C ATOM 363 O THR A 24 -246.623 -15.178 99.511 1.00 0.00 O ATOM 364 CB THR A 24 -247.393 -14.079 96.463 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.203 -13.604 95.831 1.00 0.00 O ATOM 366 CG2 THR A 24 -247.905 -13.019 97.418 1.00 0.00 C ATOM 0 H THR A 24 -248.662 -15.796 98.530 1.00 0.00 H new ATOM 0 HA THR A 24 -246.634 -16.064 96.442 1.00 0.00 H new ATOM 0 HB THR A 24 -248.166 -14.266 95.717 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.389 -12.754 95.380 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.084 -12.093 96.872 1.00 0.00 H new ATOM 0 HG22 THR A 24 -248.836 -13.358 97.873 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.164 -12.843 98.197 1.00 0.00 H new ATOM 374 N VAL A 25 -244.921 -15.143 98.063 1.00 0.00 N ATOM 375 CA VAL A 25 -243.878 -15.244 99.059 1.00 0.00 C ATOM 376 C VAL A 25 -243.117 -13.923 99.157 1.00 0.00 C ATOM 377 O VAL A 25 -242.624 -13.419 98.151 1.00 0.00 O ATOM 378 CB VAL A 25 -242.910 -16.362 98.641 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.039 -16.814 99.779 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.652 -17.532 98.015 1.00 0.00 C ATOM 0 H VAL A 25 -244.575 -14.996 97.115 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.318 -15.468 100.030 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.249 -15.941 97.883 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.372 -17.605 99.435 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.448 -15.973 100.141 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.664 -17.193 100.587 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.938 -18.305 97.731 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.361 -17.940 98.735 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.189 -17.191 97.130 1.00 0.00 H new ATOM 390 N PHE A 26 -243.016 -13.357 100.353 1.00 0.00 N ATOM 391 CA PHE A 26 -242.286 -12.096 100.516 1.00 0.00 C ATOM 392 C PHE A 26 -241.016 -12.315 101.307 1.00 0.00 C ATOM 393 O PHE A 26 -240.981 -13.132 102.232 1.00 0.00 O ATOM 394 CB PHE A 26 -243.134 -11.009 101.181 1.00 0.00 C ATOM 395 CG PHE A 26 -244.419 -10.729 100.455 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.575 -11.434 100.755 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.468 -9.758 99.471 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.755 -11.170 100.088 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.644 -9.491 98.799 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.789 -10.197 99.108 1.00 0.00 C ATOM 0 H PHE A 26 -243.419 -13.737 101.210 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.035 -11.747 99.514 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.361 -11.310 102.204 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.551 -10.090 101.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.552 -12.198 101.518 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.575 -9.202 99.225 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.650 -11.723 100.332 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.668 -8.731 98.032 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.710 -9.989 98.584 1.00 0.00 H new ATOM 410 N THR A 27 -239.968 -11.605 100.925 1.00 0.00 N ATOM 411 CA THR A 27 -238.659 -11.831 101.500 1.00 0.00 C ATOM 412 C THR A 27 -238.476 -11.022 102.769 1.00 0.00 C ATOM 413 O THR A 27 -238.871 -9.855 102.843 1.00 0.00 O ATOM 414 CB THR A 27 -237.537 -11.484 100.508 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.025 -11.581 99.160 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.365 -12.436 100.692 1.00 0.00 C ATOM 0 H THR A 27 -240.001 -10.869 100.220 1.00 0.00 H new ATOM 0 HA THR A 27 -238.597 -12.893 101.738 1.00 0.00 H new ATOM 0 HB THR A 27 -237.205 -10.463 100.699 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.305 -11.357 98.534 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.575 -12.182 99.985 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.983 -12.350 101.709 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.696 -13.459 100.514 1.00 0.00 H new ATOM 424 N ILE A 28 -237.884 -11.651 103.761 1.00 0.00 N ATOM 425 CA ILE A 28 -237.623 -11.009 105.024 1.00 0.00 C ATOM 426 C ILE A 28 -236.133 -10.731 105.152 1.00 0.00 C ATOM 427 O ILE A 28 -235.369 -11.034 104.236 1.00 0.00 O ATOM 428 CB ILE A 28 -238.109 -11.881 106.191 1.00 0.00 C ATOM 429 CG1 ILE A 28 -237.139 -13.024 106.476 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.479 -12.443 105.858 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.489 -13.811 107.714 1.00 0.00 C ATOM 0 H ILE A 28 -237.572 -12.621 103.712 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.170 -10.067 105.061 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.165 -11.259 107.085 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -237.121 -13.698 105.619 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -236.133 -12.619 106.584 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.828 -13.063 106.684 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.179 -11.623 105.698 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.414 -13.047 104.953 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.759 -14.608 107.857 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.479 -13.150 108.580 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.482 -14.245 107.600 1.00 0.00 H new ATOM 443 N ASN A 29 -235.715 -10.165 106.272 1.00 0.00 N ATOM 444 CA ASN A 29 -234.317 -9.809 106.461 1.00 0.00 C ATOM 445 C ASN A 29 -234.032 -9.557 107.930 1.00 0.00 C ATOM 446 O ASN A 29 -234.955 -9.327 108.712 1.00 0.00 O ATOM 447 CB ASN A 29 -233.948 -8.566 105.644 1.00 0.00 C ATOM 448 CG ASN A 29 -234.728 -7.335 106.061 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.310 -6.580 106.942 1.00 0.00 O ATOM 450 ND2 ASN A 29 -235.865 -7.125 105.423 1.00 0.00 N ATOM 0 H ASN A 29 -236.321 -9.942 107.062 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.710 -10.645 106.113 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.882 -8.369 105.753 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.129 -8.764 104.588 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.436 -6.312 105.653 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.172 -7.776 104.701 1.00 0.00 H new ATOM 457 N GLY A 30 -232.754 -9.597 108.292 1.00 0.00 N ATOM 458 CA GLY A 30 -232.350 -9.338 109.661 1.00 0.00 C ATOM 459 C GLY A 30 -233.000 -10.287 110.644 1.00 0.00 C ATOM 460 O GLY A 30 -232.640 -11.466 110.711 1.00 0.00 O ATOM 0 H GLY A 30 -231.985 -9.806 107.655 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.266 -9.424 109.740 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.608 -8.313 109.925 1.00 0.00 H new ATOM 464 N GLY A 31 -233.956 -9.774 111.401 1.00 0.00 N ATOM 465 CA GLY A 31 -234.678 -10.592 112.350 1.00 0.00 C ATOM 466 C GLY A 31 -236.146 -10.231 112.402 1.00 0.00 C ATOM 467 O GLY A 31 -236.687 -9.955 113.474 1.00 0.00 O ATOM 0 H GLY A 31 -234.247 -8.797 111.374 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.572 -11.642 112.079 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.239 -10.472 113.341 1.00 0.00 H new ATOM 471 N THR A 32 -236.784 -10.218 111.238 1.00 0.00 N ATOM 472 CA THR A 32 -238.202 -9.904 111.137 1.00 0.00 C ATOM 473 C THR A 32 -239.075 -10.887 111.906 1.00 0.00 C ATOM 474 O THR A 32 -238.978 -12.101 111.711 1.00 0.00 O ATOM 475 CB THR A 32 -238.672 -9.911 109.687 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.038 -10.984 108.986 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.376 -8.596 108.988 1.00 0.00 C ATOM 0 H THR A 32 -236.337 -10.423 110.345 1.00 0.00 H new ATOM 0 HA THR A 32 -238.308 -8.909 111.570 1.00 0.00 H new ATOM 0 HB THR A 32 -239.753 -10.048 109.686 1.00 0.00 H new ATOM 0 HG1 THR A 32 -237.205 -10.664 108.582 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.727 -8.645 107.957 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.886 -7.785 109.507 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.301 -8.413 108.997 1.00 0.00 H new ATOM 485 N LYS A 33 -239.923 -10.365 112.779 1.00 0.00 N ATOM 486 CA LYS A 33 -240.964 -11.173 113.387 1.00 0.00 C ATOM 487 C LYS A 33 -242.227 -11.072 112.542 1.00 0.00 C ATOM 488 O LYS A 33 -242.235 -10.382 111.526 1.00 0.00 O ATOM 489 CB LYS A 33 -241.251 -10.720 114.811 1.00 0.00 C ATOM 490 CG LYS A 33 -241.816 -9.326 114.874 1.00 0.00 C ATOM 491 CD LYS A 33 -241.890 -8.805 116.298 1.00 0.00 C ATOM 492 CE LYS A 33 -240.517 -8.699 116.942 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.664 -7.685 116.271 1.00 0.00 N ATOM 0 H LYS A 33 -239.910 -9.390 113.080 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.626 -12.208 113.430 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.953 -11.413 115.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.331 -10.761 115.394 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.198 -8.657 114.275 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.813 -9.319 114.433 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -242.367 -7.825 116.300 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.519 -9.467 116.893 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -240.629 -8.439 117.994 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -240.023 -9.670 116.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.770 -7.584 116.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.465 -7.989 115.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -240.160 -6.771 116.254 1.00 0.00 H new ATOM 507 N ALA A 34 -243.292 -11.723 112.982 1.00 0.00 N ATOM 508 CA ALA A 34 -244.550 -11.763 112.240 1.00 0.00 C ATOM 509 C ALA A 34 -245.151 -10.383 111.991 1.00 0.00 C ATOM 510 O ALA A 34 -245.957 -10.211 111.089 1.00 0.00 O ATOM 511 CB ALA A 34 -245.549 -12.607 112.988 1.00 0.00 C ATOM 0 H ALA A 34 -243.313 -12.239 113.862 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.323 -12.194 111.265 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.487 -12.637 112.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.160 -13.619 113.098 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.723 -12.176 113.974 1.00 0.00 H new ATOM 517 N LYS A 35 -244.774 -9.410 112.796 1.00 0.00 N ATOM 518 CA LYS A 35 -245.361 -8.092 112.725 1.00 0.00 C ATOM 519 C LYS A 35 -244.713 -7.305 111.604 1.00 0.00 C ATOM 520 O LYS A 35 -245.375 -6.776 110.712 1.00 0.00 O ATOM 521 CB LYS A 35 -245.139 -7.411 114.069 1.00 0.00 C ATOM 522 CG LYS A 35 -245.353 -5.926 114.034 1.00 0.00 C ATOM 523 CD LYS A 35 -246.798 -5.598 113.735 1.00 0.00 C ATOM 524 CE LYS A 35 -247.064 -4.104 113.788 1.00 0.00 C ATOM 525 NZ LYS A 35 -248.515 -3.812 113.919 1.00 0.00 N ATOM 0 H LYS A 35 -244.056 -9.512 113.513 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.429 -8.151 112.516 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.813 -7.849 114.805 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -244.123 -7.615 114.407 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -245.067 -5.490 114.991 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -244.710 -5.479 113.276 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -247.059 -5.978 112.747 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -247.441 -6.107 114.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -246.527 -3.668 114.630 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -246.677 -3.633 112.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -248.660 -2.783 113.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -249.024 -4.207 113.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -248.878 -4.241 114.794 1.00 0.00 H new ATOM 539 N GLN A 36 -243.398 -7.264 111.677 1.00 0.00 N ATOM 540 CA GLN A 36 -242.563 -6.723 110.624 1.00 0.00 C ATOM 541 C GLN A 36 -242.788 -7.508 109.344 1.00 0.00 C ATOM 542 O GLN A 36 -242.503 -7.041 108.245 1.00 0.00 O ATOM 543 CB GLN A 36 -241.100 -6.834 111.035 1.00 0.00 C ATOM 544 CG GLN A 36 -240.802 -6.231 112.394 1.00 0.00 C ATOM 545 CD GLN A 36 -239.439 -6.632 112.906 1.00 0.00 C ATOM 546 OE1 GLN A 36 -239.299 -7.653 113.585 1.00 0.00 O ATOM 547 NE2 GLN A 36 -238.430 -5.847 112.585 1.00 0.00 N ATOM 0 H GLN A 36 -242.873 -7.610 112.480 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.819 -5.677 110.457 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.813 -7.885 111.043 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.482 -6.340 110.285 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -240.859 -5.144 112.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -241.564 -6.548 113.106 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -238.592 -5.013 112.021 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -237.487 -6.074 112.900 1.00 0.00 H new ATOM 556 N LEU A 37 -243.247 -8.735 109.504 1.00 0.00 N ATOM 557 CA LEU A 37 -243.488 -9.588 108.373 1.00 0.00 C ATOM 558 C LEU A 37 -244.840 -9.406 107.752 1.00 0.00 C ATOM 559 O LEU A 37 -244.973 -9.479 106.534 1.00 0.00 O ATOM 560 CB LEU A 37 -243.259 -11.034 108.719 1.00 0.00 C ATOM 561 CG LEU A 37 -242.229 -11.609 107.804 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.798 -11.618 106.409 1.00 0.00 C ATOM 563 CD2 LEU A 37 -241.015 -10.718 107.843 1.00 0.00 C ATOM 0 H LEU A 37 -243.458 -9.156 110.409 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.762 -9.281 107.621 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.931 -11.123 109.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.191 -11.592 108.631 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.956 -12.621 108.103 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.064 -12.034 105.719 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.702 -12.227 106.389 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.041 -10.599 106.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.248 -11.119 107.181 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.289 -9.715 107.515 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.629 -10.674 108.861 1.00 0.00 H new ATOM 575 N LEU A 38 -245.842 -9.195 108.560 1.00 0.00 N ATOM 576 CA LEU A 38 -247.131 -8.867 108.026 1.00 0.00 C ATOM 577 C LEU A 38 -246.951 -7.656 107.110 1.00 0.00 C ATOM 578 O LEU A 38 -247.511 -7.594 106.023 1.00 0.00 O ATOM 579 CB LEU A 38 -248.124 -8.633 109.178 1.00 0.00 C ATOM 580 CG LEU A 38 -249.592 -8.458 108.774 1.00 0.00 C ATOM 581 CD1 LEU A 38 -250.022 -7.005 108.893 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.814 -8.976 107.358 1.00 0.00 C ATOM 0 H LEU A 38 -245.791 -9.244 109.578 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.553 -9.679 107.433 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -248.055 -9.475 109.867 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.810 -7.745 109.727 1.00 0.00 H new ATOM 0 HG LEU A 38 -250.208 -9.042 109.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.068 -6.910 108.600 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.902 -6.673 109.924 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.405 -6.388 108.240 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.861 -8.846 107.083 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.185 -8.419 106.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.556 -10.034 107.313 1.00 0.00 H new ATOM 594 N GLN A 39 -246.068 -6.765 107.535 1.00 0.00 N ATOM 595 CA GLN A 39 -245.577 -5.668 106.759 1.00 0.00 C ATOM 596 C GLN A 39 -244.977 -6.115 105.454 1.00 0.00 C ATOM 597 O GLN A 39 -245.310 -5.599 104.407 1.00 0.00 O ATOM 598 CB GLN A 39 -244.459 -5.068 107.557 1.00 0.00 C ATOM 599 CG GLN A 39 -243.960 -3.796 106.969 1.00 0.00 C ATOM 600 CD GLN A 39 -242.935 -3.094 107.842 1.00 0.00 C ATOM 601 OE1 GLN A 39 -241.732 -3.337 107.731 1.00 0.00 O ATOM 602 NE2 GLN A 39 -243.404 -2.213 108.713 1.00 0.00 N ATOM 0 H GLN A 39 -245.665 -6.800 108.472 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.400 -4.986 106.546 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.801 -4.884 108.575 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.638 -5.782 107.621 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.517 -4.003 105.995 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.803 -3.126 106.800 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -244.407 -2.040 108.774 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -242.762 -1.707 109.323 1.00 0.00 H new ATOM 611 N GLN A 40 -244.043 -7.038 105.539 1.00 0.00 N ATOM 612 CA GLN A 40 -243.349 -7.527 104.371 1.00 0.00 C ATOM 613 C GLN A 40 -244.319 -8.110 103.356 1.00 0.00 C ATOM 614 O GLN A 40 -244.069 -8.093 102.156 1.00 0.00 O ATOM 615 CB GLN A 40 -242.307 -8.556 104.782 1.00 0.00 C ATOM 616 CG GLN A 40 -240.961 -7.935 105.085 1.00 0.00 C ATOM 617 CD GLN A 40 -240.491 -7.076 103.936 1.00 0.00 C ATOM 618 OE1 GLN A 40 -240.988 -7.386 102.752 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.736 -6.123 104.116 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.746 -7.467 106.415 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.844 -6.688 103.892 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.661 -9.094 105.662 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.193 -9.290 103.984 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -241.030 -7.332 105.990 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.230 -8.720 105.280 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -239.379 -5.925 105.051 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.467 -5.530 103.331 1.00 0.00 H new ATOM 628 N ILE A 41 -245.424 -8.608 103.865 1.00 0.00 N ATOM 629 CA ILE A 41 -246.485 -9.181 103.062 1.00 0.00 C ATOM 630 C ILE A 41 -247.380 -8.088 102.486 1.00 0.00 C ATOM 631 O ILE A 41 -247.836 -8.162 101.345 1.00 0.00 O ATOM 632 CB ILE A 41 -247.284 -10.151 103.951 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.598 -11.527 103.976 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.723 -10.286 103.482 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.084 -11.491 104.139 1.00 0.00 C ATOM 0 H ILE A 41 -245.615 -8.627 104.867 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.065 -9.723 102.214 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.305 -9.741 104.961 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -247.022 -12.112 104.792 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.836 -12.051 103.050 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.255 -10.979 104.134 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.209 -9.311 103.515 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.739 -10.665 102.460 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.694 -12.509 104.145 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.642 -10.938 103.310 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.831 -11.000 105.079 1.00 0.00 H new ATOM 647 N LEU A 42 -247.618 -7.083 103.302 1.00 0.00 N ATOM 648 CA LEU A 42 -248.303 -5.869 102.892 1.00 0.00 C ATOM 649 C LEU A 42 -247.552 -5.182 101.769 1.00 0.00 C ATOM 650 O LEU A 42 -248.137 -4.697 100.803 1.00 0.00 O ATOM 651 CB LEU A 42 -248.357 -4.955 104.090 1.00 0.00 C ATOM 652 CG LEU A 42 -249.322 -5.422 105.155 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.803 -5.034 106.499 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.698 -4.845 104.924 1.00 0.00 C ATOM 0 H LEU A 42 -247.338 -7.083 104.283 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.303 -6.110 102.531 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.360 -4.875 104.523 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.643 -3.955 103.763 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.408 -6.508 105.106 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.498 -5.370 107.268 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.830 -5.498 106.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.701 -3.950 106.551 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.375 -5.195 105.703 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.645 -3.757 104.951 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.068 -5.166 103.950 1.00 0.00 H new ATOM 666 N THR A 43 -246.243 -5.197 101.944 1.00 0.00 N ATOM 667 CA THR A 43 -245.280 -4.456 101.169 1.00 0.00 C ATOM 668 C THR A 43 -245.643 -4.352 99.696 1.00 0.00 C ATOM 669 O THR A 43 -245.473 -5.277 98.902 1.00 0.00 O ATOM 670 CB THR A 43 -243.883 -5.089 101.364 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.413 -4.834 102.697 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.867 -4.573 100.372 1.00 0.00 C ATOM 0 H THR A 43 -245.805 -5.760 102.673 1.00 0.00 H new ATOM 0 HA THR A 43 -245.276 -3.429 101.535 1.00 0.00 H new ATOM 0 HB THR A 43 -243.994 -6.160 101.196 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.163 -4.892 103.325 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.905 -5.051 100.555 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.199 -4.801 99.359 1.00 0.00 H new ATOM 0 HG23 THR A 43 -242.764 -3.494 100.485 1.00 0.00 H new ATOM 823 N THR A 53 -253.620 -3.205 107.794 1.00 0.00 N ATOM 824 CA THR A 53 -254.731 -3.373 108.697 1.00 0.00 C ATOM 825 C THR A 53 -254.539 -4.569 109.630 1.00 0.00 C ATOM 826 O THR A 53 -253.421 -5.017 109.879 1.00 0.00 O ATOM 827 CB THR A 53 -256.047 -3.485 107.872 1.00 0.00 C ATOM 828 OG1 THR A 53 -257.201 -3.575 108.718 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.010 -4.685 106.939 1.00 0.00 C ATOM 0 HA THR A 53 -254.792 -2.498 109.345 1.00 0.00 H new ATOM 0 HB THR A 53 -256.122 -2.573 107.280 1.00 0.00 H new ATOM 0 HG1 THR A 53 -258.007 -3.642 108.165 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.942 -4.737 106.376 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.174 -4.582 106.247 1.00 0.00 H new ATOM 0 HG23 THR A 53 -255.888 -5.597 107.524 1.00 0.00 H new ATOM 837 N ASP A 54 -255.656 -5.067 110.114 1.00 0.00 N ATOM 838 CA ASP A 54 -255.741 -6.051 111.188 1.00 0.00 C ATOM 839 C ASP A 54 -255.386 -7.450 110.737 1.00 0.00 C ATOM 840 O ASP A 54 -255.813 -8.441 111.316 1.00 0.00 O ATOM 841 CB ASP A 54 -257.153 -6.062 111.670 1.00 0.00 C ATOM 842 CG ASP A 54 -257.548 -4.755 112.327 1.00 0.00 C ATOM 843 OD1 ASP A 54 -257.113 -4.504 113.470 1.00 0.00 O ATOM 844 OD2 ASP A 54 -258.269 -3.960 111.694 1.00 0.00 O ATOM 0 H ASP A 54 -256.572 -4.790 109.760 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.029 -5.770 111.964 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.819 -6.260 110.830 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.285 -6.878 112.381 1.00 0.00 H new ATOM 849 N TYR A 55 -254.635 -7.514 109.693 1.00 0.00 N ATOM 850 CA TYR A 55 -254.129 -8.783 109.183 1.00 0.00 C ATOM 851 C TYR A 55 -253.173 -9.444 110.176 1.00 0.00 C ATOM 852 O TYR A 55 -252.448 -8.763 110.902 1.00 0.00 O ATOM 853 CB TYR A 55 -253.376 -8.571 107.881 1.00 0.00 C ATOM 854 CG TYR A 55 -254.227 -8.178 106.705 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.496 -8.698 106.537 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.741 -7.297 105.749 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.266 -8.353 105.450 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.503 -6.941 104.658 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.767 -7.472 104.510 1.00 0.00 C ATOM 860 OH TYR A 55 -256.530 -7.125 103.420 1.00 0.00 O ATOM 0 H TYR A 55 -254.342 -6.699 109.154 1.00 0.00 H new ATOM 0 HA TYR A 55 -254.993 -9.428 109.024 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.622 -7.799 108.037 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.845 -9.490 107.634 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.890 -9.386 107.270 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -252.750 -6.884 105.862 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.256 -8.769 105.332 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.113 -6.251 103.924 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.031 -6.496 102.858 1.00 0.00 H new ATOM 870 N PHE A 56 -253.185 -10.771 110.199 1.00 0.00 N ATOM 871 CA PHE A 56 -252.214 -11.545 110.966 1.00 0.00 C ATOM 872 C PHE A 56 -251.995 -12.894 110.291 1.00 0.00 C ATOM 873 O PHE A 56 -252.724 -13.257 109.376 1.00 0.00 O ATOM 874 CB PHE A 56 -252.650 -11.732 112.429 1.00 0.00 C ATOM 875 CG PHE A 56 -253.937 -12.487 112.614 1.00 0.00 C ATOM 876 CD1 PHE A 56 -253.955 -13.875 112.628 1.00 0.00 C ATOM 877 CD2 PHE A 56 -255.128 -11.805 112.786 1.00 0.00 C ATOM 878 CE1 PHE A 56 -255.141 -14.562 112.807 1.00 0.00 C ATOM 879 CE2 PHE A 56 -256.313 -12.486 112.967 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.323 -13.864 112.977 1.00 0.00 C ATOM 0 H PHE A 56 -253.863 -11.339 109.691 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.276 -10.990 110.986 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.858 -12.256 112.965 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.752 -10.750 112.891 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -253.034 -14.423 112.498 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -255.130 -10.725 112.778 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -255.145 -15.642 112.814 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -257.234 -11.939 113.101 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.251 -14.398 113.117 1.00 0.00 H new ATOM 890 N LEU A 57 -251.005 -13.634 110.751 1.00 0.00 N ATOM 891 CA LEU A 57 -250.595 -14.871 110.092 1.00 0.00 C ATOM 892 C LEU A 57 -251.140 -16.038 110.865 1.00 0.00 C ATOM 893 O LEU A 57 -251.640 -15.863 111.964 1.00 0.00 O ATOM 894 CB LEU A 57 -249.064 -14.990 109.997 1.00 0.00 C ATOM 895 CG LEU A 57 -248.361 -13.912 109.170 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.637 -12.559 109.770 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.866 -14.167 109.097 1.00 0.00 C ATOM 0 H LEU A 57 -250.463 -13.403 111.584 1.00 0.00 H new ATOM 0 HA LEU A 57 -250.990 -14.863 109.076 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.654 -14.971 111.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -248.820 -15.964 109.572 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.751 -13.942 108.153 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.136 -11.791 109.181 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.711 -12.373 109.770 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.264 -12.532 110.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.392 -13.385 108.503 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.447 -14.163 110.103 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.684 -15.136 108.632 1.00 0.00 H new ATOM 909 N MET A 58 -251.079 -17.215 110.280 1.00 0.00 N ATOM 910 CA MET A 58 -251.504 -18.426 110.957 1.00 0.00 C ATOM 911 C MET A 58 -250.834 -19.635 110.346 1.00 0.00 C ATOM 912 O MET A 58 -250.758 -19.752 109.126 1.00 0.00 O ATOM 913 CB MET A 58 -253.018 -18.604 110.857 1.00 0.00 C ATOM 914 CG MET A 58 -253.822 -17.731 111.799 1.00 0.00 C ATOM 915 SD MET A 58 -255.579 -18.099 111.731 1.00 0.00 S ATOM 916 CE MET A 58 -255.497 -19.873 111.579 1.00 0.00 C ATOM 0 H MET A 58 -250.737 -17.361 109.330 1.00 0.00 H new ATOM 0 HA MET A 58 -251.219 -18.334 112.005 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.328 -18.392 109.834 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.261 -19.648 111.054 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.462 -17.872 112.818 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.662 -16.683 111.546 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.477 -20.302 111.789 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.194 -20.138 110.566 1.00 0.00 H new ATOM 0 HE3 MET A 58 -254.770 -20.266 112.289 1.00 0.00 H new ATOM 926 N GLU A 59 -250.341 -20.529 111.181 1.00 0.00 N ATOM 927 CA GLU A 59 -249.909 -21.815 110.689 1.00 0.00 C ATOM 928 C GLU A 59 -251.074 -22.785 110.817 1.00 0.00 C ATOM 929 O GLU A 59 -251.507 -23.126 111.921 1.00 0.00 O ATOM 930 CB GLU A 59 -248.658 -22.341 111.417 1.00 0.00 C ATOM 931 CG GLU A 59 -248.855 -22.648 112.895 1.00 0.00 C ATOM 932 CD GLU A 59 -247.759 -23.535 113.452 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.686 -24.718 113.045 1.00 0.00 O ATOM 934 OE2 GLU A 59 -246.971 -23.056 114.288 1.00 0.00 O ATOM 0 H GLU A 59 -250.232 -20.390 112.186 1.00 0.00 H new ATOM 0 HA GLU A 59 -249.615 -21.713 109.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -248.318 -23.247 110.915 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -247.861 -21.604 111.318 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.884 -21.714 113.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -249.820 -23.135 113.037 1.00 0.00 H new ATOM 1262 N ARG A 78 -252.217 -22.353 114.771 1.00 0.00 N ATOM 1263 CA ARG A 78 -251.661 -21.297 115.599 1.00 0.00 C ATOM 1264 C ARG A 78 -251.759 -19.946 114.910 1.00 0.00 C ATOM 1265 O ARG A 78 -251.280 -19.766 113.790 1.00 0.00 O ATOM 1266 CB ARG A 78 -250.206 -21.599 115.964 1.00 0.00 C ATOM 1267 CG ARG A 78 -249.603 -20.567 116.898 1.00 0.00 C ATOM 1268 CD ARG A 78 -250.383 -20.484 118.197 1.00 0.00 C ATOM 1269 NE ARG A 78 -250.264 -19.170 118.814 1.00 0.00 N ATOM 1270 CZ ARG A 78 -251.262 -18.538 119.418 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -252.432 -19.143 119.587 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -251.085 -17.310 119.875 1.00 0.00 N ATOM 0 HA ARG A 78 -252.249 -21.256 116.516 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -250.151 -22.581 116.433 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -249.611 -21.647 115.052 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -248.565 -20.825 117.109 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -249.596 -19.592 116.411 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -251.434 -20.702 118.005 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -250.021 -21.245 118.888 1.00 0.00 H new ATOM 0 HE ARG A 78 -249.356 -18.706 118.780 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -252.566 -20.097 119.252 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -253.197 -18.654 120.052 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -250.182 -16.849 119.763 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -251.852 -16.823 120.339 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.401 -19.005 115.586 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.487 -17.642 115.099 1.00 0.00 C ATOM 1288 C ALA A 79 -251.182 -16.901 115.392 1.00 0.00 C ATOM 1289 O ALA A 79 -250.772 -16.778 116.546 1.00 0.00 O ATOM 1290 CB ALA A 79 -253.667 -16.925 115.735 1.00 0.00 C ATOM 0 H ALA A 79 -252.871 -19.164 116.477 1.00 0.00 H new ATOM 0 HA ALA A 79 -252.643 -17.661 114.020 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -253.718 -15.903 115.359 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -254.589 -17.450 115.485 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.542 -16.907 116.818 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.537 -16.422 114.346 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.239 -15.786 114.462 1.00 0.00 C ATOM 1298 C ILE A 80 -249.347 -14.323 114.853 1.00 0.00 C ATOM 1299 O ILE A 80 -249.815 -13.486 114.076 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.428 -15.900 113.176 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.345 -17.353 112.724 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.031 -15.360 113.412 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.301 -17.561 111.662 1.00 0.00 C ATOM 0 H ILE A 80 -250.898 -16.463 113.393 1.00 0.00 H new ATOM 0 HA ILE A 80 -248.721 -16.323 115.256 1.00 0.00 H new ATOM 0 HB ILE A 80 -248.921 -15.320 112.396 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -248.118 -17.986 113.582 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -249.316 -17.669 112.343 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -246.450 -15.441 112.493 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.091 -14.314 113.713 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -246.546 -15.937 114.200 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.280 -18.612 111.373 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -247.541 -16.950 110.792 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -246.324 -17.272 112.050 1.00 0.00 H new ATOM 1315 N GLY A 81 -248.924 -14.034 116.072 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.794 -12.667 116.509 1.00 0.00 C ATOM 1317 C GLY A 81 -247.353 -12.206 116.404 1.00 0.00 C ATOM 1318 O GLY A 81 -246.479 -13.011 116.096 1.00 0.00 O ATOM 0 H GLY A 81 -248.667 -14.731 116.771 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.432 -12.024 115.903 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.136 -12.575 117.540 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.072 -10.924 116.661 1.00 0.00 N ATOM 1323 CA PRO A 82 -245.729 -10.358 116.550 1.00 0.00 C ATOM 1324 C PRO A 82 -244.701 -11.072 117.417 1.00 0.00 C ATOM 1325 O PRO A 82 -243.615 -11.414 116.947 1.00 0.00 O ATOM 1326 CB PRO A 82 -245.909 -8.908 117.008 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.345 -8.631 116.763 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.035 -9.917 117.088 1.00 0.00 C ATOM 0 HA PRO A 82 -245.341 -10.455 115.536 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.653 -8.787 118.061 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.269 -8.229 116.444 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -247.705 -7.817 117.392 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.522 -8.336 115.729 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.258 -9.998 118.152 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -248.981 -10.013 116.556 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.050 -11.284 118.678 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.177 -11.943 119.633 1.00 0.00 C ATOM 1338 C GLU A 83 -243.764 -13.331 119.151 1.00 0.00 C ATOM 1339 O GLU A 83 -242.611 -13.738 119.295 1.00 0.00 O ATOM 1340 CB GLU A 83 -244.890 -12.043 120.969 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.062 -10.702 121.661 1.00 0.00 C ATOM 1342 CD GLU A 83 -245.846 -9.689 120.848 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -246.976 -10.008 120.422 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -245.331 -8.572 120.627 1.00 0.00 O ATOM 0 H GLU A 83 -245.950 -11.002 119.067 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.268 -11.351 119.739 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.871 -12.494 120.817 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.330 -12.712 121.623 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -245.567 -10.858 122.614 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -244.078 -10.291 121.885 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.719 -14.046 118.577 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.479 -15.378 118.052 1.00 0.00 C ATOM 1353 C GLU A 84 -243.912 -15.289 116.642 1.00 0.00 C ATOM 1354 O GLU A 84 -244.648 -15.206 115.658 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.782 -16.174 118.078 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.382 -16.242 119.472 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.771 -16.835 119.504 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -247.922 -18.028 119.183 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -248.720 -16.107 119.871 1.00 0.00 O ATOM 0 H GLU A 84 -245.679 -13.719 118.463 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.746 -15.894 118.673 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.500 -15.716 117.397 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.596 -17.184 117.714 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.728 -16.835 120.111 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.415 -15.237 119.894 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.592 -15.278 116.560 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.900 -15.068 115.300 1.00 0.00 C ATOM 1368 C GLU A 85 -242.117 -16.220 114.325 1.00 0.00 C ATOM 1369 O GLU A 85 -242.110 -17.398 114.703 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.413 -14.857 115.549 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.115 -13.617 116.370 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.640 -13.297 116.409 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.117 -12.788 115.398 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -237.995 -13.540 117.449 1.00 0.00 O ATOM 0 H GLU A 85 -241.973 -15.413 117.360 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.321 -14.174 114.840 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.010 -15.730 116.062 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.898 -14.783 114.591 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.658 -12.769 115.953 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.480 -13.761 117.387 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.286 -15.868 113.057 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.573 -16.846 112.021 1.00 0.00 C ATOM 1383 C ILE A 86 -241.389 -17.766 111.791 1.00 0.00 C ATOM 1384 O ILE A 86 -241.560 -18.932 111.457 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.961 -16.181 110.688 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.805 -15.344 110.134 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.189 -15.317 110.891 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.038 -14.846 108.725 1.00 0.00 C ATOM 0 H ILE A 86 -242.228 -14.906 112.722 1.00 0.00 H new ATOM 0 HA ILE A 86 -243.422 -17.429 112.377 1.00 0.00 H new ATOM 0 HB ILE A 86 -243.185 -16.962 109.961 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.640 -14.489 110.790 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.893 -15.941 110.153 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.463 -14.847 109.947 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -245.015 -15.936 111.241 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.973 -14.546 111.631 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.178 -14.261 108.399 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.173 -15.696 108.056 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.931 -14.221 108.703 1.00 0.00 H new ATOM 1400 N MET A 87 -240.186 -17.255 111.995 1.00 0.00 N ATOM 1401 CA MET A 87 -238.998 -18.065 111.813 1.00 0.00 C ATOM 1402 C MET A 87 -238.934 -19.135 112.895 1.00 0.00 C ATOM 1403 O MET A 87 -238.273 -20.159 112.734 1.00 0.00 O ATOM 1404 CB MET A 87 -237.738 -17.199 111.810 1.00 0.00 C ATOM 1405 CG MET A 87 -236.504 -17.925 111.292 1.00 0.00 C ATOM 1406 SD MET A 87 -236.784 -18.736 109.700 1.00 0.00 S ATOM 1407 CE MET A 87 -237.451 -17.388 108.719 1.00 0.00 C ATOM 0 H MET A 87 -240.009 -16.293 112.284 1.00 0.00 H new ATOM 0 HA MET A 87 -239.052 -18.557 110.842 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.915 -16.316 111.196 1.00 0.00 H new ATOM 0 HB3 MET A 87 -237.545 -16.849 112.824 1.00 0.00 H new ATOM 0 HG2 MET A 87 -235.684 -17.213 111.193 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.192 -18.670 112.024 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.154 -17.514 107.678 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.539 -17.391 108.789 1.00 0.00 H new ATOM 0 HE3 MET A 87 -237.066 -16.440 109.094 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.657 -18.912 113.992 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.744 -19.910 115.046 1.00 0.00 C ATOM 1419 C GLN A 88 -240.721 -20.980 114.616 1.00 0.00 C ATOM 1420 O GLN A 88 -240.563 -22.158 114.919 1.00 0.00 O ATOM 1421 CB GLN A 88 -240.181 -19.297 116.370 1.00 0.00 C ATOM 1422 CG GLN A 88 -239.227 -18.235 116.855 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.544 -17.721 118.248 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -240.809 -17.754 118.635 1.00 0.00 O flip ATOM 1425 NE2 GLN A 88 -238.646 -17.305 118.979 1.00 0.00 N flip ATOM 0 H GLN A 88 -240.184 -18.057 114.169 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.755 -20.341 115.204 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -241.175 -18.864 116.256 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -240.259 -20.082 117.122 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -238.214 -18.638 116.848 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -239.242 -17.399 116.156 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -237.682 -17.294 118.647 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -238.866 -16.971 119.917 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.734 -20.534 113.890 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.725 -21.421 113.302 1.00 0.00 C ATOM 1436 C ILE A 89 -242.064 -22.390 112.324 1.00 0.00 C ATOM 1437 O ILE A 89 -242.250 -23.600 112.409 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.800 -20.614 112.570 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -244.284 -19.488 113.480 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.956 -21.508 112.141 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.764 -19.945 114.843 1.00 0.00 C ATOM 0 H ILE A 89 -241.892 -19.546 113.692 1.00 0.00 H new ATOM 0 HA ILE A 89 -243.190 -21.988 114.108 1.00 0.00 H new ATOM 0 HB ILE A 89 -243.373 -20.184 111.664 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.473 -18.773 113.615 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -245.096 -18.958 112.981 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.706 -20.910 111.623 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.586 -22.285 111.472 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -245.404 -21.970 113.021 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -245.089 -19.081 115.423 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -245.598 -20.636 114.722 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.950 -20.447 115.366 1.00 0.00 H new ATOM 1453 N LEU A 90 -241.262 -21.841 111.412 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.532 -22.649 110.439 1.00 0.00 C ATOM 1455 C LEU A 90 -239.434 -23.466 111.119 1.00 0.00 C ATOM 1456 O LEU A 90 -238.965 -24.464 110.578 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.920 -21.769 109.340 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.887 -21.271 108.256 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -241.697 -22.422 107.687 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.810 -20.186 108.785 1.00 0.00 C ATOM 0 H LEU A 90 -241.102 -20.837 111.328 1.00 0.00 H new ATOM 0 HA LEU A 90 -241.246 -23.334 109.982 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.458 -20.902 109.812 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.122 -22.331 108.855 1.00 0.00 H new ATOM 0 HG LEU A 90 -240.286 -20.838 107.457 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -242.375 -22.046 106.921 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -241.024 -23.158 107.246 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -242.274 -22.890 108.484 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.480 -19.858 107.990 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -242.397 -20.580 109.614 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.216 -19.340 109.131 1.00 0.00 H new ATOM 1472 N SER A 91 -239.018 -23.027 112.299 1.00 0.00 N ATOM 1473 CA SER A 91 -238.034 -23.758 113.086 1.00 0.00 C ATOM 1474 C SER A 91 -238.703 -24.922 113.817 1.00 0.00 C ATOM 1475 O SER A 91 -238.134 -26.008 113.942 1.00 0.00 O ATOM 1476 CB SER A 91 -237.354 -22.812 114.081 1.00 0.00 C ATOM 1477 OG SER A 91 -236.348 -23.470 114.828 1.00 0.00 O ATOM 0 H SER A 91 -239.348 -22.165 112.734 1.00 0.00 H new ATOM 0 HA SER A 91 -237.274 -24.164 112.419 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.916 -21.972 113.542 1.00 0.00 H new ATOM 0 HB3 SER A 91 -238.101 -22.401 114.760 1.00 0.00 H new ATOM 0 HG SER A 91 -235.935 -22.836 115.451 1.00 0.00 H new ATOM 1658 N ILE A 103 -248.664 -20.881 105.703 1.00 0.00 N ATOM 1659 CA ILE A 103 -248.920 -19.589 106.307 1.00 0.00 C ATOM 1660 C ILE A 103 -250.184 -19.010 105.730 1.00 0.00 C ATOM 1661 O ILE A 103 -250.304 -18.837 104.518 1.00 0.00 O ATOM 1662 CB ILE A 103 -247.793 -18.565 106.055 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -246.453 -19.080 106.587 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.136 -17.229 106.706 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.402 -19.169 108.101 1.00 0.00 C ATOM 0 HA ILE A 103 -248.995 -19.763 107.380 1.00 0.00 H new ATOM 0 HB ILE A 103 -247.701 -18.423 104.978 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -246.257 -20.066 106.165 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -245.656 -18.422 106.242 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.332 -16.517 106.520 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.065 -16.846 106.284 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -248.256 -17.368 107.780 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.425 -19.541 108.411 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -246.567 -18.180 108.529 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -247.177 -19.850 108.452 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.122 -18.724 106.585 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.295 -18.022 106.186 1.00 0.00 C ATOM 1679 C VAL A 104 -252.163 -16.575 106.636 1.00 0.00 C ATOM 1680 O VAL A 104 -251.448 -16.283 107.593 1.00 0.00 O ATOM 1681 CB VAL A 104 -253.564 -18.661 106.798 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.207 -17.736 107.774 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.547 -19.037 105.713 1.00 0.00 C ATOM 0 H VAL A 104 -251.091 -18.972 107.574 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.396 -18.073 105.102 1.00 0.00 H new ATOM 0 HB VAL A 104 -253.263 -19.565 107.326 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.097 -18.208 108.191 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -253.506 -17.510 108.578 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -254.489 -16.812 107.269 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.433 -19.485 106.164 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -254.834 -18.144 105.157 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.084 -19.753 105.035 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.811 -15.680 105.933 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.955 -14.325 106.404 1.00 0.00 C ATOM 1695 C LEU A 105 -254.440 -14.070 106.597 1.00 0.00 C ATOM 1696 O LEU A 105 -255.201 -14.009 105.633 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.395 -13.337 105.401 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.105 -11.963 105.975 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.969 -12.067 106.973 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.776 -10.975 104.870 1.00 0.00 C ATOM 0 H LEU A 105 -253.248 -15.866 105.030 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.405 -14.195 107.336 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.475 -13.744 104.982 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.102 -13.232 104.578 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.993 -11.592 106.488 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.758 -11.081 107.388 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.252 -12.746 107.777 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.079 -12.449 106.473 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.572 -9.997 105.305 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.898 -11.319 104.323 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.622 -10.898 104.187 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.849 -13.982 107.836 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.246 -13.771 108.170 1.00 0.00 C ATOM 1714 C LYS A 106 -256.469 -12.291 108.448 1.00 0.00 C ATOM 1715 O LYS A 106 -255.564 -11.472 108.290 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.663 -14.562 109.421 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.398 -16.059 109.380 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.421 -16.838 108.560 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.212 -18.339 108.748 1.00 0.00 C ATOM 1720 NZ LYS A 106 -257.978 -19.171 107.781 1.00 0.00 N ATOM 0 H LYS A 106 -254.231 -14.053 108.644 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.845 -14.115 107.327 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -256.141 -14.144 110.282 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.729 -14.406 109.587 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.405 -16.232 108.966 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.391 -16.446 110.399 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.430 -16.562 108.867 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.326 -16.579 107.505 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.150 -18.565 108.648 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.503 -18.614 109.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -257.791 -20.177 107.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -258.995 -18.983 107.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -257.684 -18.935 106.812 1.00 0.00 H new ATOM 1734 N THR A 107 -257.667 -11.968 108.882 1.00 0.00 N ATOM 1735 CA THR A 107 -257.996 -10.661 109.348 1.00 0.00 C ATOM 1736 C THR A 107 -258.384 -10.826 110.806 1.00 0.00 C ATOM 1737 O THR A 107 -258.729 -11.928 111.234 1.00 0.00 O ATOM 1738 CB THR A 107 -259.183 -10.059 108.566 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.319 -10.930 108.656 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.829 -9.843 107.103 1.00 0.00 C ATOM 0 H THR A 107 -258.446 -12.626 108.917 1.00 0.00 H new ATOM 0 HA THR A 107 -257.152 -9.985 109.213 1.00 0.00 H new ATOM 0 HB THR A 107 -259.420 -9.092 109.010 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.069 -10.542 108.159 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.686 -9.418 106.580 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.984 -9.159 107.030 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.563 -10.797 106.648 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.339 -9.761 111.551 1.00 0.00 N ATOM 1749 CA GLN A 108 -258.686 -9.787 112.973 1.00 0.00 C ATOM 1750 C GLN A 108 -260.201 -9.800 113.175 1.00 0.00 C ATOM 1751 O GLN A 108 -260.717 -9.279 114.164 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.051 -8.596 113.695 1.00 0.00 C ATOM 1753 CG GLN A 108 -256.616 -8.849 114.127 1.00 0.00 C ATOM 1754 CD GLN A 108 -255.964 -7.639 114.769 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -256.753 -6.828 115.459 1.00 0.00 O flip ATOM 1756 NE2 GLN A 108 -254.753 -7.439 114.650 1.00 0.00 N flip ATOM 0 H GLN A 108 -258.063 -8.842 111.206 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.289 -10.707 113.402 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -258.077 -7.726 113.039 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.649 -8.351 114.573 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -256.596 -9.681 114.831 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -256.030 -9.152 113.259 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -254.180 -8.087 114.110 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -254.325 -6.625 115.091 1.00 0.00 H new