USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 949 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 123 SER OG : rot -128:sc= 1.21 USER MOD Set 1.2: A 127 GLN : amide:sc= 0.0322 K(o=1.3,f=-0.1!) USER MOD Set 1.3: A 163 HIS :FLIP no HD1:sc= 0.0579 F(o=0.094,f=1.3) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= -0.664 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -1.87! X(o=-2.5!,f=-2.1) USER MOD Set 3.1: A 21 GLN : amide:sc= 1.13 K(o=1.8,f=-13!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 163:sc= 0.705 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -130:sc= 0 (180deg=-0.00646) USER MOD Single : A 34 MET CE :methyl 176:sc= -1.7 (180deg=-1.73) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.32 K(o=-1.3,f=-4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.92) USER MOD Single : A 45 MET CE :methyl 167:sc= -2.84 (180deg=-3.43!) USER MOD Single : A 46 THR OG1 : rot -36:sc= 0.599 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -104:sc= 1.22 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 39:sc= 0.196 USER MOD Single : A 57 ASN : amide:sc= -1.04 K(o=-1,f=-5.9!) USER MOD Single : A 58 MET CE :methyl -108:sc= -3.47 (180deg=-6.4!) USER MOD Single : A 59 ASN :FLIP amide:sc= -8.61! C(o=-10!,f=-8.6!) USER MOD Single : A 64 THR OG1 : rot -26:sc= 0.576 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= -0.0572 (180deg=-0.325) USER MOD Single : A 72 ASN : amide:sc= -2.51! C(o=-2.5!,f=-14!) USER MOD Single : A 80 CYS SG : rot 166:sc= -1.13 USER MOD Single : A 86 SER OG : rot -52:sc= 1 USER MOD Single : A 88 MET CE :methyl -127:sc= -1.04 (180deg=-5.53!) USER MOD Single : A 92 LYS NZ :NH3+ -135:sc= -1.02 (180deg=-3.05!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0184 K(o=-0.018,f=-1.5) USER MOD Single : A 96 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 101 MET CE :methyl -108:sc= -1.05 (180deg=-3.51!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 110 CYS SG : rot 180:sc= -2.1 USER MOD Single : A 115 CYS SG : rot -40:sc= -0.435 USER MOD Single : A 118 ASN :FLIP amide:sc= 0.158 F(o=-2.1,f=0.16) USER MOD Single : A 121 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.27) USER MOD Single : A 130 CYS SG : rot 98:sc= -1.05 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= 0.392 K(o=0.39,f=-4.5!) USER MOD Single : A 169 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 170 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.829 K(o=-0.83,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.991 1.508 14.228 1.00 0.00 N ATOM 179 CA VAL A 15 7.322 1.472 12.933 1.00 0.00 C ATOM 180 C VAL A 15 8.332 1.478 11.792 1.00 0.00 C ATOM 181 O VAL A 15 9.460 1.944 11.951 1.00 0.00 O ATOM 182 CB VAL A 15 6.365 2.668 12.763 1.00 0.00 C ATOM 183 CG1 VAL A 15 5.902 2.780 11.319 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.177 2.537 13.704 1.00 0.00 C ATOM 0 HA VAL A 15 6.746 0.547 12.900 1.00 0.00 H new ATOM 0 HB VAL A 15 6.903 3.581 13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.227 3.630 11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.766 2.924 10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.381 1.867 11.032 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.511 3.390 13.571 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.637 1.617 13.482 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.530 2.510 14.735 1.00 0.00 H new ATOM 194 N GLN A 16 7.919 0.956 10.641 1.00 0.00 N ATOM 195 CA GLN A 16 8.789 0.901 9.472 1.00 0.00 C ATOM 196 C GLN A 16 8.421 1.988 8.468 1.00 0.00 C ATOM 197 O GLN A 16 7.343 1.962 7.875 1.00 0.00 O ATOM 198 CB GLN A 16 8.699 -0.474 8.808 1.00 0.00 C ATOM 199 CG GLN A 16 9.334 -1.587 9.627 1.00 0.00 C ATOM 200 CD GLN A 16 9.301 -2.926 8.915 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.341 -3.541 8.678 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.104 -3.385 8.571 1.00 0.00 N ATOM 0 H GLN A 16 6.988 0.566 10.493 1.00 0.00 H new ATOM 0 HA GLN A 16 9.813 1.070 9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.651 -0.716 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.184 -0.430 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.368 -1.324 9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.813 -1.674 10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.268 -2.842 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.020 -4.281 8.090 1.00 0.00 H new ATOM 211 N LYS A 17 9.325 2.945 8.281 1.00 0.00 N ATOM 212 CA LYS A 17 9.098 4.042 7.348 1.00 0.00 C ATOM 213 C LYS A 17 9.706 3.731 5.984 1.00 0.00 C ATOM 214 O LYS A 17 10.916 3.539 5.862 1.00 0.00 O ATOM 215 CB LYS A 17 9.693 5.339 7.900 1.00 0.00 C ATOM 216 CG LYS A 17 11.189 5.264 8.149 1.00 0.00 C ATOM 217 CD LYS A 17 11.611 6.177 9.289 1.00 0.00 C ATOM 218 CE LYS A 17 13.125 6.271 9.396 1.00 0.00 C ATOM 219 NZ LYS A 17 13.547 7.161 10.513 1.00 0.00 N ATOM 0 H LYS A 17 10.222 2.982 8.764 1.00 0.00 H new ATOM 0 HA LYS A 17 8.022 4.166 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.490 6.149 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.190 5.591 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.469 4.237 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.724 5.543 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.194 7.172 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.201 5.803 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.541 5.275 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.533 6.647 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.586 7.199 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.171 8.118 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.179 6.788 11.412 1.00 0.00 H new ATOM 233 N PHE A 18 8.859 3.683 4.961 1.00 0.00 N ATOM 234 CA PHE A 18 9.314 3.396 3.605 1.00 0.00 C ATOM 235 C PHE A 18 9.254 4.648 2.735 1.00 0.00 C ATOM 236 O PHE A 18 8.205 5.280 2.609 1.00 0.00 O ATOM 237 CB PHE A 18 8.461 2.288 2.983 1.00 0.00 C ATOM 238 CG PHE A 18 8.479 1.006 3.767 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.502 0.088 3.594 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.473 0.721 4.675 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.521 -1.092 4.314 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.487 -0.457 5.398 1.00 0.00 C ATOM 243 CZ PHE A 18 8.512 -1.365 5.216 1.00 0.00 C ATOM 0 H PHE A 18 7.854 3.839 5.045 1.00 0.00 H new ATOM 0 HA PHE A 18 10.350 3.062 3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.432 2.638 2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.817 2.091 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.293 0.296 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.669 1.427 4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.324 -1.800 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.698 -0.667 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.524 -2.287 5.778 1.00 0.00 H new ATOM 253 N ARG A 19 10.388 5.000 2.138 1.00 0.00 N ATOM 254 CA ARG A 19 10.466 6.177 1.281 1.00 0.00 C ATOM 255 C ARG A 19 9.609 5.998 0.031 1.00 0.00 C ATOM 256 O ARG A 19 9.790 5.045 -0.727 1.00 0.00 O ATOM 257 CB ARG A 19 11.918 6.449 0.883 1.00 0.00 C ATOM 258 CG ARG A 19 12.090 7.681 0.009 1.00 0.00 C ATOM 259 CD ARG A 19 11.825 8.958 0.790 1.00 0.00 C ATOM 260 NE ARG A 19 13.033 9.464 1.437 1.00 0.00 N ATOM 261 CZ ARG A 19 13.989 10.125 0.795 1.00 0.00 C ATOM 262 NH1 ARG A 19 13.879 10.360 -0.505 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.058 10.554 1.454 1.00 0.00 N ATOM 0 H ARG A 19 11.265 4.487 2.232 1.00 0.00 H new ATOM 0 HA ARG A 19 10.085 7.030 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.517 6.568 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.309 5.581 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.102 7.704 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.409 7.624 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.428 9.719 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.061 8.770 1.545 1.00 0.00 H new ATOM 0 HE ARG A 19 13.148 9.301 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.058 10.033 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.615 10.868 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.146 10.376 2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.792 11.062 0.960 1.00 0.00 H new ATOM 277 N VAL A 20 8.675 6.921 -0.177 1.00 0.00 N ATOM 278 CA VAL A 20 7.790 6.865 -1.334 1.00 0.00 C ATOM 279 C VAL A 20 7.182 8.232 -1.627 1.00 0.00 C ATOM 280 O VAL A 20 7.209 9.127 -0.783 1.00 0.00 O ATOM 281 CB VAL A 20 6.656 5.845 -1.125 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.224 4.474 -0.792 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.709 6.319 -0.032 1.00 0.00 C ATOM 0 H VAL A 20 8.512 7.716 0.441 1.00 0.00 H new ATOM 0 HA VAL A 20 8.398 6.551 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 20 6.091 5.761 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.407 3.767 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.858 4.134 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.815 4.537 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.913 5.586 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.259 6.433 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.275 7.277 -0.317 1.00 0.00 H new ATOM 293 N GLN A 21 6.635 8.385 -2.829 1.00 0.00 N ATOM 294 CA GLN A 21 6.020 9.644 -3.233 1.00 0.00 C ATOM 295 C GLN A 21 4.499 9.544 -3.196 1.00 0.00 C ATOM 296 O GLN A 21 3.933 8.465 -3.379 1.00 0.00 O ATOM 297 CB GLN A 21 6.483 10.034 -4.638 1.00 0.00 C ATOM 298 CG GLN A 21 7.887 10.617 -4.676 1.00 0.00 C ATOM 299 CD GLN A 21 8.400 10.810 -6.089 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.165 9.993 -6.602 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.980 11.896 -6.728 1.00 0.00 N ATOM 0 H GLN A 21 6.605 7.654 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 21 6.332 10.414 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.446 9.155 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.785 10.761 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.892 11.576 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.565 9.958 -4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.346 12.547 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.292 12.079 -7.682 1.00 0.00 H new ATOM 310 N TYR A 22 3.842 10.673 -2.956 1.00 0.00 N ATOM 311 CA TYR A 22 2.386 10.712 -2.892 1.00 0.00 C ATOM 312 C TYR A 22 1.800 11.309 -4.168 1.00 0.00 C ATOM 313 O TYR A 22 1.915 12.511 -4.415 1.00 0.00 O ATOM 314 CB TYR A 22 1.930 11.524 -1.679 1.00 0.00 C ATOM 315 CG TYR A 22 0.428 11.573 -1.513 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.354 10.449 -1.749 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.209 12.743 -1.120 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.727 10.490 -1.600 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.582 12.793 -0.967 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.336 11.664 -1.208 1.00 0.00 C ATOM 321 OH TYR A 22 -3.703 11.708 -1.057 1.00 0.00 O ATOM 0 H TYR A 22 4.295 11.574 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 22 2.024 9.689 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.373 11.097 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.310 12.541 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.119 9.528 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.379 13.629 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.320 9.608 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.061 13.711 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.972 12.607 -0.776 1.00 0.00 H new ATOM 331 N LEU A 23 1.171 10.462 -4.975 1.00 0.00 N ATOM 332 CA LEU A 23 0.565 10.905 -6.226 1.00 0.00 C ATOM 333 C LEU A 23 -0.711 11.699 -5.962 1.00 0.00 C ATOM 334 O LEU A 23 -0.951 12.732 -6.584 1.00 0.00 O ATOM 335 CB LEU A 23 0.255 9.702 -7.119 1.00 0.00 C ATOM 336 CG LEU A 23 1.463 8.999 -7.739 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.976 7.905 -6.815 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.103 8.423 -9.101 1.00 0.00 C ATOM 0 H LEU A 23 1.067 9.465 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 23 1.276 11.555 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.303 8.973 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.401 10.032 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 23 2.257 9.734 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.836 7.416 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.273 8.343 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.188 7.171 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.974 7.926 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.293 7.702 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.783 9.228 -9.763 1.00 0.00 H new ATOM 350 N GLY A 24 -1.526 11.208 -5.033 1.00 0.00 N ATOM 351 CA GLY A 24 -2.766 11.885 -4.701 1.00 0.00 C ATOM 352 C GLY A 24 -3.837 10.928 -4.217 1.00 0.00 C ATOM 353 O GLY A 24 -3.574 9.744 -4.010 1.00 0.00 O ATOM 0 H GLY A 24 -1.350 10.354 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.574 12.631 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.130 12.420 -5.578 1.00 0.00 H new ATOM 357 N MET A 25 -5.049 11.442 -4.035 1.00 0.00 N ATOM 358 CA MET A 25 -6.164 10.624 -3.571 1.00 0.00 C ATOM 359 C MET A 25 -7.263 10.555 -4.627 1.00 0.00 C ATOM 360 O MET A 25 -7.592 11.557 -5.262 1.00 0.00 O ATOM 361 CB MET A 25 -6.729 11.187 -2.266 1.00 0.00 C ATOM 362 CG MET A 25 -7.796 10.307 -1.635 1.00 0.00 C ATOM 363 SD MET A 25 -8.922 11.232 -0.574 1.00 0.00 S ATOM 364 CE MET A 25 -10.010 11.966 -1.792 1.00 0.00 C ATOM 0 H MET A 25 -5.284 12.420 -4.202 1.00 0.00 H new ATOM 0 HA MET A 25 -5.793 9.615 -3.392 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.914 11.322 -1.555 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.151 12.174 -2.458 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.367 9.814 -2.422 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.315 9.522 -1.051 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.100 13.035 -1.602 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.599 11.808 -2.789 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.994 11.502 -1.728 1.00 0.00 H new ATOM 374 N LEU A 26 -7.828 9.366 -4.808 1.00 0.00 N ATOM 375 CA LEU A 26 -8.891 9.166 -5.788 1.00 0.00 C ATOM 376 C LEU A 26 -9.933 8.181 -5.267 1.00 0.00 C ATOM 377 O LEU A 26 -9.644 7.013 -5.007 1.00 0.00 O ATOM 378 CB LEU A 26 -8.307 8.658 -7.107 1.00 0.00 C ATOM 379 CG LEU A 26 -9.190 8.831 -8.343 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.531 8.142 -8.141 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.388 10.307 -8.655 1.00 0.00 C ATOM 0 H LEU A 26 -7.568 8.527 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.379 10.126 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.363 9.172 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.077 7.598 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.689 8.365 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.146 8.276 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.371 7.078 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.038 8.578 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.019 10.411 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.867 10.797 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.420 10.772 -8.844 1.00 0.00 H new ATOM 393 N PRO A 27 -11.176 8.661 -5.112 1.00 0.00 N ATOM 394 CA PRO A 27 -12.287 7.839 -4.623 1.00 0.00 C ATOM 395 C PRO A 27 -12.715 6.784 -5.637 1.00 0.00 C ATOM 396 O PRO A 27 -12.559 6.967 -6.844 1.00 0.00 O ATOM 397 CB PRO A 27 -13.410 8.856 -4.402 1.00 0.00 C ATOM 398 CG PRO A 27 -13.093 9.978 -5.329 1.00 0.00 C ATOM 399 CD PRO A 27 -11.592 10.044 -5.401 1.00 0.00 C ATOM 0 HA PRO A 27 -12.018 7.280 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.385 8.423 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.439 9.194 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.524 9.803 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.508 10.917 -4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.251 10.369 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.185 10.746 -4.674 1.00 0.00 H new ATOM 407 N VAL A 28 -13.258 5.677 -5.138 1.00 0.00 N ATOM 408 CA VAL A 28 -13.711 4.592 -6.000 1.00 0.00 C ATOM 409 C VAL A 28 -15.184 4.279 -5.761 1.00 0.00 C ATOM 410 O VAL A 28 -15.813 4.848 -4.869 1.00 0.00 O ATOM 411 CB VAL A 28 -12.882 3.314 -5.776 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.418 3.561 -6.108 1.00 0.00 C ATOM 413 CG2 VAL A 28 -13.038 2.822 -4.345 1.00 0.00 C ATOM 0 H VAL A 28 -13.395 5.509 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.576 4.927 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.255 2.538 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.848 2.646 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.327 3.862 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.028 4.352 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.445 1.918 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.693 3.593 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.087 2.602 -4.148 1.00 0.00 H new ATOM 423 N ASP A 29 -15.727 3.369 -6.562 1.00 0.00 N ATOM 424 CA ASP A 29 -17.126 2.977 -6.437 1.00 0.00 C ATOM 425 C ASP A 29 -17.247 1.566 -5.871 1.00 0.00 C ATOM 426 O ASP A 29 -18.212 1.245 -5.178 1.00 0.00 O ATOM 427 CB ASP A 29 -17.824 3.057 -7.795 1.00 0.00 C ATOM 428 CG ASP A 29 -18.311 4.457 -8.115 1.00 0.00 C ATOM 429 OD1 ASP A 29 -18.489 5.253 -7.170 1.00 0.00 O ATOM 430 OD2 ASP A 29 -18.514 4.756 -9.310 1.00 0.00 O ATOM 0 H ASP A 29 -15.219 2.889 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.611 3.668 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.136 2.728 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.670 2.370 -7.806 1.00 0.00 H new ATOM 435 N ARG A 30 -16.261 0.727 -6.173 1.00 0.00 N ATOM 436 CA ARG A 30 -16.258 -0.651 -5.697 1.00 0.00 C ATOM 437 C ARG A 30 -15.120 -0.882 -4.708 1.00 0.00 C ATOM 438 O ARG A 30 -14.037 -0.307 -4.824 1.00 0.00 O ATOM 439 CB ARG A 30 -16.130 -1.620 -6.874 1.00 0.00 C ATOM 440 CG ARG A 30 -17.459 -1.966 -7.525 1.00 0.00 C ATOM 441 CD ARG A 30 -17.299 -3.061 -8.569 1.00 0.00 C ATOM 442 NE ARG A 30 -18.471 -3.167 -9.434 1.00 0.00 N ATOM 443 CZ ARG A 30 -18.754 -4.244 -10.159 1.00 0.00 C ATOM 444 NH1 ARG A 30 -17.955 -5.301 -10.121 1.00 0.00 N ATOM 445 NH2 ARG A 30 -19.839 -4.265 -10.922 1.00 0.00 N ATOM 0 H ARG A 30 -15.454 0.978 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.203 -0.834 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.471 -1.183 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.655 -2.538 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.166 -2.290 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.880 -1.075 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.417 -2.857 -9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.129 -4.015 -8.071 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.107 -2.371 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.121 -5.289 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.174 -6.127 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -20.457 -3.454 -10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.055 -5.092 -11.478 1.00 0.00 H new ATOM 459 N PRO A 31 -15.368 -1.744 -3.710 1.00 0.00 N ATOM 460 CA PRO A 31 -14.376 -2.070 -2.681 1.00 0.00 C ATOM 461 C PRO A 31 -13.216 -2.892 -3.234 1.00 0.00 C ATOM 462 O PRO A 31 -12.091 -2.805 -2.743 1.00 0.00 O ATOM 463 CB PRO A 31 -15.175 -2.890 -1.665 1.00 0.00 C ATOM 464 CG PRO A 31 -16.296 -3.478 -2.451 1.00 0.00 C ATOM 465 CD PRO A 31 -16.635 -2.466 -3.510 1.00 0.00 C ATOM 0 HA PRO A 31 -13.916 -1.176 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.559 -3.667 -1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.546 -2.263 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.003 -4.428 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.157 -3.679 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.974 -2.944 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.432 -1.797 -3.186 1.00 0.00 H new ATOM 473 N VAL A 32 -13.498 -3.690 -4.259 1.00 0.00 N ATOM 474 CA VAL A 32 -12.478 -4.527 -4.880 1.00 0.00 C ATOM 475 C VAL A 32 -12.611 -4.519 -6.399 1.00 0.00 C ATOM 476 O VAL A 32 -13.696 -4.304 -6.937 1.00 0.00 O ATOM 477 CB VAL A 32 -12.561 -5.980 -4.376 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.444 -6.027 -2.860 1.00 0.00 C ATOM 479 CG2 VAL A 32 -13.855 -6.631 -4.840 1.00 0.00 C ATOM 0 H VAL A 32 -14.425 -3.775 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.511 -4.108 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.727 -6.541 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.505 -7.062 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.488 -5.601 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.255 -5.452 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.897 -7.657 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.705 -6.071 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.892 -6.632 -5.929 1.00 0.00 H new ATOM 489 N GLY A 33 -11.497 -4.756 -7.086 1.00 0.00 N ATOM 490 CA GLY A 33 -11.510 -4.772 -8.537 1.00 0.00 C ATOM 491 C GLY A 33 -10.342 -4.013 -9.136 1.00 0.00 C ATOM 492 O GLY A 33 -10.291 -2.785 -9.069 1.00 0.00 O ATOM 0 H GLY A 33 -10.586 -4.937 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.486 -5.804 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.443 -4.337 -8.894 1.00 0.00 H new ATOM 496 N MET A 34 -9.400 -4.746 -9.720 1.00 0.00 N ATOM 497 CA MET A 34 -8.227 -4.134 -10.333 1.00 0.00 C ATOM 498 C MET A 34 -8.634 -3.057 -11.333 1.00 0.00 C ATOM 499 O MET A 34 -8.104 -1.946 -11.314 1.00 0.00 O ATOM 500 CB MET A 34 -7.375 -5.197 -11.030 1.00 0.00 C ATOM 501 CG MET A 34 -6.377 -5.877 -10.107 1.00 0.00 C ATOM 502 SD MET A 34 -4.795 -5.015 -10.040 1.00 0.00 S ATOM 503 CE MET A 34 -4.880 -4.277 -8.410 1.00 0.00 C ATOM 0 H MET A 34 -9.426 -5.764 -9.782 1.00 0.00 H new ATOM 0 HA MET A 34 -7.639 -3.667 -9.543 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.032 -5.952 -11.461 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.836 -4.734 -11.857 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.798 -5.935 -9.103 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.215 -6.901 -10.444 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.941 -3.768 -8.192 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.699 -3.558 -8.378 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.052 -5.055 -7.667 1.00 0.00 H new ATOM 513 N ASP A 35 -9.579 -3.392 -12.204 1.00 0.00 N ATOM 514 CA ASP A 35 -10.058 -2.453 -13.212 1.00 0.00 C ATOM 515 C ASP A 35 -10.414 -1.111 -12.578 1.00 0.00 C ATOM 516 O ASP A 35 -10.377 -0.072 -13.237 1.00 0.00 O ATOM 517 CB ASP A 35 -11.277 -3.027 -13.937 1.00 0.00 C ATOM 518 CG ASP A 35 -11.486 -2.402 -15.302 1.00 0.00 C ATOM 519 OD1 ASP A 35 -12.122 -1.329 -15.372 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.014 -2.985 -16.300 1.00 0.00 O ATOM 0 H ASP A 35 -10.029 -4.307 -12.233 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.257 -2.294 -13.934 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.156 -4.104 -14.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.167 -2.868 -13.328 1.00 0.00 H new ATOM 525 N THR A 36 -10.759 -1.142 -11.295 1.00 0.00 N ATOM 526 CA THR A 36 -11.124 0.071 -10.573 1.00 0.00 C ATOM 527 C THR A 36 -9.922 0.656 -9.839 1.00 0.00 C ATOM 528 O THR A 36 -9.690 1.865 -9.871 1.00 0.00 O ATOM 529 CB THR A 36 -12.250 -0.197 -9.557 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.406 -0.708 -10.231 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.615 1.074 -8.806 1.00 0.00 C ATOM 0 H THR A 36 -10.793 -1.993 -10.734 1.00 0.00 H new ATOM 0 HA THR A 36 -11.477 0.787 -11.315 1.00 0.00 H new ATOM 0 HB THR A 36 -11.893 -0.935 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.117 -0.878 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.412 0.860 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.741 1.444 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.954 1.830 -9.514 1.00 0.00 H new ATOM 539 N LEU A 37 -9.160 -0.209 -9.178 1.00 0.00 N ATOM 540 CA LEU A 37 -7.981 0.222 -8.436 1.00 0.00 C ATOM 541 C LEU A 37 -7.023 0.996 -9.337 1.00 0.00 C ATOM 542 O LEU A 37 -6.543 2.069 -8.973 1.00 0.00 O ATOM 543 CB LEU A 37 -7.265 -0.986 -7.831 1.00 0.00 C ATOM 544 CG LEU A 37 -5.990 -0.685 -7.041 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.764 -1.741 -5.970 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.791 -0.604 -7.974 1.00 0.00 C ATOM 0 H LEU A 37 -9.338 -1.213 -9.141 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.309 0.882 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.962 -1.504 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.015 -1.676 -8.637 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.109 0.281 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.853 -1.510 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.611 -1.750 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.666 -2.720 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.893 -0.389 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.669 -1.555 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.951 0.190 -8.704 1.00 0.00 H new ATOM 558 N ASN A 38 -6.753 0.445 -10.516 1.00 0.00 N ATOM 559 CA ASN A 38 -5.854 1.085 -11.470 1.00 0.00 C ATOM 560 C ASN A 38 -6.491 2.340 -12.060 1.00 0.00 C ATOM 561 O ASN A 38 -5.831 3.366 -12.220 1.00 0.00 O ATOM 562 CB ASN A 38 -5.489 0.109 -12.591 1.00 0.00 C ATOM 563 CG ASN A 38 -4.515 -0.959 -12.133 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.355 -0.974 -12.543 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.986 -1.861 -11.279 1.00 0.00 N ATOM 0 H ASN A 38 -7.143 -0.442 -10.834 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.947 1.375 -10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.396 -0.366 -12.965 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.053 0.662 -13.423 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.378 -2.605 -10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.955 -1.809 -10.966 1.00 0.00 H new ATOM 572 N SER A 39 -7.777 2.249 -12.381 1.00 0.00 N ATOM 573 CA SER A 39 -8.503 3.376 -12.956 1.00 0.00 C ATOM 574 C SER A 39 -8.333 4.626 -12.098 1.00 0.00 C ATOM 575 O SER A 39 -8.547 5.745 -12.564 1.00 0.00 O ATOM 576 CB SER A 39 -9.988 3.036 -13.093 1.00 0.00 C ATOM 577 OG SER A 39 -10.718 4.138 -13.604 1.00 0.00 O ATOM 0 H SER A 39 -8.338 1.407 -12.253 1.00 0.00 H new ATOM 0 HA SER A 39 -8.090 3.576 -13.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.108 2.178 -13.754 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.390 2.749 -12.121 1.00 0.00 H new ATOM 0 HG SER A 39 -11.664 3.895 -13.684 1.00 0.00 H new ATOM 583 N ALA A 40 -7.946 4.427 -10.843 1.00 0.00 N ATOM 584 CA ALA A 40 -7.744 5.537 -9.920 1.00 0.00 C ATOM 585 C ALA A 40 -6.308 6.046 -9.979 1.00 0.00 C ATOM 586 O ALA A 40 -6.043 7.218 -9.708 1.00 0.00 O ATOM 587 CB ALA A 40 -8.100 5.116 -8.502 1.00 0.00 C ATOM 0 H ALA A 40 -7.766 3.507 -10.442 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.403 6.352 -10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.944 5.955 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.145 4.809 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.466 4.282 -8.200 1.00 0.00 H new ATOM 593 N ILE A 41 -5.385 5.158 -10.333 1.00 0.00 N ATOM 594 CA ILE A 41 -3.976 5.519 -10.427 1.00 0.00 C ATOM 595 C ILE A 41 -3.740 6.526 -11.548 1.00 0.00 C ATOM 596 O ILE A 41 -3.189 7.603 -11.322 1.00 0.00 O ATOM 597 CB ILE A 41 -3.093 4.281 -10.671 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.378 3.209 -9.617 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.622 4.668 -10.655 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.582 1.938 -9.816 1.00 0.00 C ATOM 0 H ILE A 41 -5.587 4.184 -10.559 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.701 5.969 -9.473 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.330 3.872 -11.653 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.158 3.615 -8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.441 2.969 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.011 3.782 -10.829 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.430 5.401 -11.439 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.370 5.099 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.835 1.224 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.819 1.509 -10.789 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.517 2.165 -9.770 1.00 0.00 H new ATOM 612 N GLU A 42 -4.161 6.167 -12.757 1.00 0.00 N ATOM 613 CA GLU A 42 -3.996 7.041 -13.913 1.00 0.00 C ATOM 614 C GLU A 42 -4.616 8.411 -13.652 1.00 0.00 C ATOM 615 O GLU A 42 -3.972 9.441 -13.843 1.00 0.00 O ATOM 616 CB GLU A 42 -4.632 6.409 -15.153 1.00 0.00 C ATOM 617 CG GLU A 42 -3.683 5.517 -15.936 1.00 0.00 C ATOM 618 CD GLU A 42 -4.016 5.466 -17.414 1.00 0.00 C ATOM 619 OE1 GLU A 42 -4.894 4.665 -17.797 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.399 6.228 -18.187 1.00 0.00 O ATOM 0 H GLU A 42 -4.618 5.278 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.928 7.172 -14.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.499 5.823 -14.848 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.996 7.201 -15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.663 5.879 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.716 4.508 -15.525 1.00 0.00 H new ATOM 627 N ASN A 43 -5.871 8.413 -13.217 1.00 0.00 N ATOM 628 CA ASN A 43 -6.580 9.655 -12.931 1.00 0.00 C ATOM 629 C ASN A 43 -5.653 10.669 -12.267 1.00 0.00 C ATOM 630 O ASN A 43 -5.596 11.832 -12.671 1.00 0.00 O ATOM 631 CB ASN A 43 -7.786 9.383 -12.030 1.00 0.00 C ATOM 632 CG ASN A 43 -9.035 9.046 -12.822 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.323 9.669 -13.843 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.783 8.054 -12.352 1.00 0.00 N ATOM 0 H ASN A 43 -6.419 7.568 -13.055 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.928 10.071 -13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.554 8.559 -11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.978 10.259 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.635 7.781 -12.842 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.505 7.565 -11.501 1.00 0.00 H new ATOM 641 N LEU A 44 -4.929 10.221 -11.248 1.00 0.00 N ATOM 642 CA LEU A 44 -4.003 11.089 -10.527 1.00 0.00 C ATOM 643 C LEU A 44 -2.748 11.352 -11.353 1.00 0.00 C ATOM 644 O LEU A 44 -2.386 12.501 -11.603 1.00 0.00 O ATOM 645 CB LEU A 44 -3.623 10.460 -9.186 1.00 0.00 C ATOM 646 CG LEU A 44 -4.783 10.127 -8.247 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.367 9.067 -7.240 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.269 11.381 -7.535 1.00 0.00 C ATOM 0 H LEU A 44 -4.965 9.262 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.502 12.041 -10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.066 9.544 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.946 11.139 -8.668 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.605 9.730 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.205 8.843 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.068 8.161 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.529 9.436 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.095 11.125 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.453 11.808 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.608 12.109 -8.272 1.00 0.00 H new ATOM 660 N MET A 45 -2.089 10.278 -11.777 1.00 0.00 N ATOM 661 CA MET A 45 -0.876 10.393 -12.578 1.00 0.00 C ATOM 662 C MET A 45 -1.026 11.479 -13.638 1.00 0.00 C ATOM 663 O MET A 45 -0.104 12.261 -13.876 1.00 0.00 O ATOM 664 CB MET A 45 -0.551 9.055 -13.244 1.00 0.00 C ATOM 665 CG MET A 45 -0.183 7.958 -12.258 1.00 0.00 C ATOM 666 SD MET A 45 0.962 6.752 -12.956 1.00 0.00 S ATOM 667 CE MET A 45 1.859 6.249 -11.490 1.00 0.00 C ATOM 0 H MET A 45 -2.375 9.319 -11.579 1.00 0.00 H new ATOM 0 HA MET A 45 -0.056 10.669 -11.914 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.411 8.732 -13.830 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.274 9.197 -13.942 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.264 8.407 -11.371 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.090 7.447 -11.934 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.438 5.351 -11.708 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.532 7.049 -11.183 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.154 6.040 -10.686 1.00 0.00 H new ATOM 677 N THR A 46 -2.193 11.523 -14.274 1.00 0.00 N ATOM 678 CA THR A 46 -2.462 12.512 -15.309 1.00 0.00 C ATOM 679 C THR A 46 -2.433 13.926 -14.740 1.00 0.00 C ATOM 680 O THR A 46 -1.802 14.820 -15.304 1.00 0.00 O ATOM 681 CB THR A 46 -3.828 12.268 -15.978 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.873 12.346 -15.001 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.863 10.907 -16.657 1.00 0.00 C ATOM 0 H THR A 46 -2.967 10.884 -14.090 1.00 0.00 H new ATOM 0 HA THR A 46 -1.676 12.408 -16.057 1.00 0.00 H new ATOM 0 HB THR A 46 -3.980 13.038 -16.735 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.558 11.966 -14.154 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.837 10.757 -17.122 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.086 10.861 -17.420 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.691 10.126 -15.916 1.00 0.00 H new ATOM 691 N SER A 47 -3.120 14.122 -13.619 1.00 0.00 N ATOM 692 CA SER A 47 -3.175 15.429 -12.975 1.00 0.00 C ATOM 693 C SER A 47 -1.790 15.861 -12.504 1.00 0.00 C ATOM 694 O SER A 47 -1.197 16.790 -13.053 1.00 0.00 O ATOM 695 CB SER A 47 -4.142 15.397 -11.790 1.00 0.00 C ATOM 696 OG SER A 47 -4.410 16.704 -11.314 1.00 0.00 O ATOM 0 H SER A 47 -3.646 13.392 -13.138 1.00 0.00 H new ATOM 0 HA SER A 47 -3.533 16.153 -13.707 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.074 14.918 -12.090 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.718 14.794 -10.987 1.00 0.00 H new ATOM 0 HG SER A 47 -5.032 16.656 -10.558 1.00 0.00 H new ATOM 702 N SER A 48 -1.280 15.181 -11.482 1.00 0.00 N ATOM 703 CA SER A 48 0.034 15.496 -10.933 1.00 0.00 C ATOM 704 C SER A 48 1.123 14.692 -11.637 1.00 0.00 C ATOM 705 O SER A 48 0.908 13.546 -12.031 1.00 0.00 O ATOM 706 CB SER A 48 0.064 15.211 -9.431 1.00 0.00 C ATOM 707 OG SER A 48 -0.781 16.103 -8.725 1.00 0.00 O ATOM 0 H SER A 48 -1.757 14.408 -11.017 1.00 0.00 H new ATOM 0 HA SER A 48 0.225 16.556 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.251 14.184 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.085 15.303 -9.061 1.00 0.00 H new ATOM 0 HG SER A 48 -0.236 16.780 -8.272 1.00 0.00 H new ATOM 713 N SER A 49 2.294 15.303 -11.790 1.00 0.00 N ATOM 714 CA SER A 49 3.417 14.647 -12.450 1.00 0.00 C ATOM 715 C SER A 49 4.356 14.018 -11.425 1.00 0.00 C ATOM 716 O SER A 49 4.299 14.333 -10.236 1.00 0.00 O ATOM 717 CB SER A 49 4.185 15.649 -13.314 1.00 0.00 C ATOM 718 OG SER A 49 3.525 15.868 -14.549 1.00 0.00 O ATOM 0 H SER A 49 2.489 16.250 -11.466 1.00 0.00 H new ATOM 0 HA SER A 49 3.021 13.857 -13.088 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.285 16.593 -12.779 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.193 15.278 -13.498 1.00 0.00 H new ATOM 0 HG SER A 49 4.035 16.513 -15.082 1.00 0.00 H new ATOM 724 N LYS A 50 5.222 13.126 -11.894 1.00 0.00 N ATOM 725 CA LYS A 50 6.175 12.451 -11.022 1.00 0.00 C ATOM 726 C LYS A 50 6.815 13.437 -10.050 1.00 0.00 C ATOM 727 O LYS A 50 6.849 13.199 -8.843 1.00 0.00 O ATOM 728 CB LYS A 50 7.260 11.762 -11.853 1.00 0.00 C ATOM 729 CG LYS A 50 8.290 11.024 -11.017 1.00 0.00 C ATOM 730 CD LYS A 50 7.770 9.672 -10.556 1.00 0.00 C ATOM 731 CE LYS A 50 8.909 8.714 -10.241 1.00 0.00 C ATOM 732 NZ LYS A 50 9.620 9.091 -8.988 1.00 0.00 N ATOM 0 H LYS A 50 5.283 12.854 -12.875 1.00 0.00 H new ATOM 0 HA LYS A 50 5.634 11.699 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.788 11.058 -12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.768 12.509 -12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.201 10.885 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.556 11.628 -10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.148 9.803 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.135 9.242 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.516 7.702 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.616 8.705 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.183 8.284 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.249 9.898 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.925 9.356 -8.261 1.00 0.00 H new ATOM 746 N GLU A 51 7.320 14.545 -10.584 1.00 0.00 N ATOM 747 CA GLU A 51 7.958 15.567 -9.763 1.00 0.00 C ATOM 748 C GLU A 51 6.934 16.267 -8.873 1.00 0.00 C ATOM 749 O GLU A 51 7.266 16.754 -7.792 1.00 0.00 O ATOM 750 CB GLU A 51 8.668 16.594 -10.647 1.00 0.00 C ATOM 751 CG GLU A 51 9.708 15.985 -11.572 1.00 0.00 C ATOM 752 CD GLU A 51 10.802 16.966 -11.946 1.00 0.00 C ATOM 753 OE1 GLU A 51 10.475 18.135 -12.241 1.00 0.00 O ATOM 754 OE2 GLU A 51 11.985 16.566 -11.944 1.00 0.00 O ATOM 0 H GLU A 51 7.299 14.757 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 51 8.694 15.077 -9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.925 17.121 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.150 17.337 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.154 15.116 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.219 15.629 -12.479 1.00 0.00 H new ATOM 761 N ASP A 52 5.690 16.313 -9.336 1.00 0.00 N ATOM 762 CA ASP A 52 4.617 16.952 -8.583 1.00 0.00 C ATOM 763 C ASP A 52 4.336 16.196 -7.289 1.00 0.00 C ATOM 764 O ASP A 52 3.857 16.773 -6.313 1.00 0.00 O ATOM 765 CB ASP A 52 3.346 17.028 -9.430 1.00 0.00 C ATOM 766 CG ASP A 52 2.265 17.866 -8.778 1.00 0.00 C ATOM 767 OD1 ASP A 52 1.453 17.300 -8.016 1.00 0.00 O ATOM 768 OD2 ASP A 52 2.230 19.089 -9.029 1.00 0.00 O ATOM 0 H ASP A 52 5.399 15.915 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 52 4.937 17.963 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.588 17.448 -10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.967 16.021 -9.602 1.00 0.00 H new ATOM 773 N TRP A 53 4.637 14.902 -7.288 1.00 0.00 N ATOM 774 CA TRP A 53 4.415 14.067 -6.114 1.00 0.00 C ATOM 775 C TRP A 53 5.532 14.256 -5.093 1.00 0.00 C ATOM 776 O TRP A 53 6.699 13.962 -5.353 1.00 0.00 O ATOM 777 CB TRP A 53 4.322 12.595 -6.520 1.00 0.00 C ATOM 778 CG TRP A 53 3.619 12.383 -7.826 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.644 13.169 -8.369 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.836 11.312 -8.752 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.241 12.652 -9.577 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.958 11.514 -9.835 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.687 10.204 -8.772 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.908 10.647 -10.923 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.637 9.345 -9.853 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.753 9.571 -10.917 1.00 0.00 C ATOM 0 H TRP A 53 5.035 14.409 -8.087 1.00 0.00 H new ATOM 0 HA TRP A 53 3.474 14.370 -5.656 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.327 12.179 -6.585 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.798 12.043 -5.740 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.247 14.066 -7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.524 13.051 -10.183 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.372 10.022 -7.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.226 10.818 -11.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.290 8.485 -9.879 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.739 8.882 -11.749 1.00 0.00 H new ATOM 797 N PRO A 54 5.170 14.758 -3.903 1.00 0.00 N ATOM 798 CA PRO A 54 6.127 14.996 -2.819 1.00 0.00 C ATOM 799 C PRO A 54 6.659 13.699 -2.220 1.00 0.00 C ATOM 800 O PRO A 54 6.012 12.655 -2.301 1.00 0.00 O ATOM 801 CB PRO A 54 5.306 15.767 -1.783 1.00 0.00 C ATOM 802 CG PRO A 54 3.895 15.364 -2.042 1.00 0.00 C ATOM 803 CD PRO A 54 3.796 15.131 -3.524 1.00 0.00 C ATOM 0 HA PRO A 54 7.011 15.531 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.610 15.513 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.437 16.843 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.639 14.461 -1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.202 16.142 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.085 14.339 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.463 16.026 -4.050 1.00 0.00 H new ATOM 811 N SER A 55 7.842 13.772 -1.617 1.00 0.00 N ATOM 812 CA SER A 55 8.462 12.602 -1.007 1.00 0.00 C ATOM 813 C SER A 55 8.037 12.461 0.452 1.00 0.00 C ATOM 814 O SER A 55 8.359 13.304 1.289 1.00 0.00 O ATOM 815 CB SER A 55 9.986 12.700 -1.099 1.00 0.00 C ATOM 816 OG SER A 55 10.443 13.965 -0.653 1.00 0.00 O ATOM 0 H SER A 55 8.390 14.629 -1.538 1.00 0.00 H new ATOM 0 HA SER A 55 8.128 11.719 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.441 11.913 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.303 12.538 -2.129 1.00 0.00 H new ATOM 0 HG SER A 55 9.919 14.246 0.126 1.00 0.00 H new ATOM 822 N VAL A 56 7.310 11.388 0.749 1.00 0.00 N ATOM 823 CA VAL A 56 6.841 11.134 2.106 1.00 0.00 C ATOM 824 C VAL A 56 7.351 9.793 2.622 1.00 0.00 C ATOM 825 O VAL A 56 8.058 9.074 1.917 1.00 0.00 O ATOM 826 CB VAL A 56 5.303 11.149 2.180 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.759 12.496 1.730 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.719 10.022 1.341 1.00 0.00 C ATOM 0 H VAL A 56 7.033 10.681 0.068 1.00 0.00 H new ATOM 0 HA VAL A 56 7.235 11.934 2.732 1.00 0.00 H new ATOM 0 HB VAL A 56 5.005 10.992 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.671 12.487 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.151 13.281 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.065 12.687 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.631 10.047 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.025 10.146 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.082 9.065 1.714 1.00 0.00 H new ATOM 838 N ASN A 57 6.987 9.463 3.857 1.00 0.00 N ATOM 839 CA ASN A 57 7.408 8.208 4.468 1.00 0.00 C ATOM 840 C ASN A 57 6.200 7.358 4.851 1.00 0.00 C ATOM 841 O ASN A 57 5.264 7.842 5.485 1.00 0.00 O ATOM 842 CB ASN A 57 8.266 8.481 5.705 1.00 0.00 C ATOM 843 CG ASN A 57 9.225 9.638 5.499 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.799 9.800 4.422 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.403 10.450 6.535 1.00 0.00 N ATOM 0 H ASN A 57 6.402 10.047 4.454 1.00 0.00 H new ATOM 0 HA ASN A 57 8.001 7.658 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.617 8.697 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.832 7.584 5.957 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.036 11.246 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.906 10.278 7.409 1.00 0.00 H new ATOM 852 N MET A 58 6.231 6.087 4.462 1.00 0.00 N ATOM 853 CA MET A 58 5.139 5.169 4.766 1.00 0.00 C ATOM 854 C MET A 58 5.337 4.525 6.135 1.00 0.00 C ATOM 855 O MET A 58 6.079 3.553 6.272 1.00 0.00 O ATOM 856 CB MET A 58 5.040 4.087 3.690 1.00 0.00 C ATOM 857 CG MET A 58 3.713 3.346 3.694 1.00 0.00 C ATOM 858 SD MET A 58 3.315 2.624 2.090 1.00 0.00 S ATOM 859 CE MET A 58 3.141 4.100 1.089 1.00 0.00 C ATOM 0 H MET A 58 6.999 5.670 3.936 1.00 0.00 H new ATOM 0 HA MET A 58 4.211 5.740 4.783 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.189 4.544 2.712 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.848 3.369 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.744 2.557 4.445 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.919 4.033 3.986 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.089 4.257 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.521 4.960 1.640 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.707 3.982 0.165 1.00 0.00 H new ATOM 869 N ASN A 59 4.668 5.073 7.144 1.00 0.00 N ATOM 870 CA ASN A 59 4.771 4.551 8.502 1.00 0.00 C ATOM 871 C ASN A 59 3.856 3.346 8.693 1.00 0.00 C ATOM 872 O ASN A 59 2.671 3.494 8.991 1.00 0.00 O ATOM 873 CB ASN A 59 4.418 5.640 9.517 1.00 0.00 C ATOM 874 CG ASN A 59 5.174 6.931 9.268 1.00 0.00 C ATOM 875 OD1 ASN A 59 4.639 7.769 8.387 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 6.226 7.172 9.860 1.00 0.00 N flip ATOM 0 H ASN A 59 4.049 5.878 7.047 1.00 0.00 H new ATOM 0 HA ASN A 59 5.800 4.232 8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.347 5.836 9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.639 5.281 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.601 6.499 10.529 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.723 8.045 9.682 1.00 0.00 H new ATOM 883 N VAL A 60 4.414 2.152 8.520 1.00 0.00 N ATOM 884 CA VAL A 60 3.649 0.921 8.674 1.00 0.00 C ATOM 885 C VAL A 60 3.829 0.334 10.070 1.00 0.00 C ATOM 886 O VAL A 60 4.839 -0.305 10.360 1.00 0.00 O ATOM 887 CB VAL A 60 4.064 -0.132 7.629 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.260 -1.411 7.812 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.893 0.418 6.222 1.00 0.00 C ATOM 0 H VAL A 60 5.394 2.011 8.273 1.00 0.00 H new ATOM 0 HA VAL A 60 2.601 1.178 8.523 1.00 0.00 H new ATOM 0 HB VAL A 60 5.118 -0.369 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.567 -2.143 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.438 -1.813 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.199 -1.194 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.191 -0.339 5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.849 0.685 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.517 1.303 6.099 1.00 0.00 H new ATOM 899 N ALA A 61 2.840 0.555 10.930 1.00 0.00 N ATOM 900 CA ALA A 61 2.888 0.046 12.295 1.00 0.00 C ATOM 901 C ALA A 61 2.020 -1.198 12.447 1.00 0.00 C ATOM 902 O ALA A 61 1.312 -1.590 11.520 1.00 0.00 O ATOM 903 CB ALA A 61 2.446 1.123 13.276 1.00 0.00 C ATOM 0 H ALA A 61 1.996 1.083 10.706 1.00 0.00 H new ATOM 0 HA ALA A 61 3.918 -0.232 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.487 0.729 14.291 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.109 1.984 13.194 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.425 1.428 13.046 1.00 0.00 H new ATOM 909 N ASP A 62 2.081 -1.816 13.622 1.00 0.00 N ATOM 910 CA ASP A 62 1.300 -3.017 13.895 1.00 0.00 C ATOM 911 C ASP A 62 -0.109 -2.891 13.324 1.00 0.00 C ATOM 912 O ASP A 62 -0.981 -2.269 13.929 1.00 0.00 O ATOM 913 CB ASP A 62 1.231 -3.275 15.401 1.00 0.00 C ATOM 914 CG ASP A 62 2.605 -3.371 16.035 1.00 0.00 C ATOM 915 OD1 ASP A 62 3.143 -2.322 16.449 1.00 0.00 O ATOM 916 OD2 ASP A 62 3.142 -4.495 16.119 1.00 0.00 O ATOM 0 H ASP A 62 2.663 -1.505 14.400 1.00 0.00 H new ATOM 0 HA ASP A 62 1.795 -3.859 13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.669 -2.473 15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.684 -4.200 15.584 1.00 0.00 H new ATOM 921 N ALA A 63 -0.323 -3.485 12.155 1.00 0.00 N ATOM 922 CA ALA A 63 -1.626 -3.440 11.502 1.00 0.00 C ATOM 923 C ALA A 63 -2.100 -2.002 11.322 1.00 0.00 C ATOM 924 O ALA A 63 -3.252 -1.677 11.610 1.00 0.00 O ATOM 925 CB ALA A 63 -2.645 -4.238 12.302 1.00 0.00 C ATOM 0 H ALA A 63 0.389 -4.003 11.640 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.525 -3.888 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.613 -4.196 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.319 -5.276 12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.734 -3.815 13.303 1.00 0.00 H new ATOM 931 N THR A 64 -1.205 -1.144 10.844 1.00 0.00 N ATOM 932 CA THR A 64 -1.531 0.260 10.628 1.00 0.00 C ATOM 933 C THR A 64 -0.574 0.899 9.628 1.00 0.00 C ATOM 934 O THR A 64 0.615 0.584 9.603 1.00 0.00 O ATOM 935 CB THR A 64 -1.486 1.057 11.945 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.265 0.392 12.946 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.013 2.469 11.741 1.00 0.00 C ATOM 0 H THR A 64 -0.248 -1.397 10.599 1.00 0.00 H new ATOM 0 HA THR A 64 -2.545 0.291 10.228 1.00 0.00 H new ATOM 0 HB THR A 64 -0.448 1.117 12.273 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.965 -0.142 12.515 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.972 3.013 12.685 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.401 2.982 10.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.045 2.425 11.392 1.00 0.00 H new ATOM 945 N VAL A 65 -1.101 1.800 8.804 1.00 0.00 N ATOM 946 CA VAL A 65 -0.293 2.485 7.803 1.00 0.00 C ATOM 947 C VAL A 65 -0.622 3.973 7.756 1.00 0.00 C ATOM 948 O VAL A 65 -1.664 4.375 7.236 1.00 0.00 O ATOM 949 CB VAL A 65 -0.503 1.880 6.402 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.209 2.714 5.348 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.020 0.438 6.368 1.00 0.00 C ATOM 0 H VAL A 65 -2.084 2.072 8.811 1.00 0.00 H new ATOM 0 HA VAL A 65 0.749 2.355 8.094 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.570 1.888 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.049 2.271 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.188 3.729 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.277 2.740 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.176 0.026 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.042 0.404 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.579 -0.150 7.095 1.00 0.00 H new ATOM 961 N THR A 66 0.274 4.789 8.302 1.00 0.00 N ATOM 962 CA THR A 66 0.080 6.234 8.324 1.00 0.00 C ATOM 963 C THR A 66 1.078 6.936 7.411 1.00 0.00 C ATOM 964 O THR A 66 2.205 6.474 7.233 1.00 0.00 O ATOM 965 CB THR A 66 0.221 6.798 9.750 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.685 6.128 10.634 1.00 0.00 O ATOM 967 CG2 THR A 66 -0.058 8.294 9.770 1.00 0.00 C ATOM 0 H THR A 66 1.142 4.474 8.735 1.00 0.00 H new ATOM 0 HA THR A 66 -0.932 6.423 7.965 1.00 0.00 H new ATOM 0 HB THR A 66 1.245 6.630 10.084 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.588 6.491 11.539 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.048 8.670 10.788 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.651 8.805 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.073 8.480 9.418 1.00 0.00 H new ATOM 975 N VAL A 67 0.657 8.057 6.833 1.00 0.00 N ATOM 976 CA VAL A 67 1.515 8.825 5.939 1.00 0.00 C ATOM 977 C VAL A 67 1.976 10.120 6.598 1.00 0.00 C ATOM 978 O VAL A 67 1.160 10.920 7.057 1.00 0.00 O ATOM 979 CB VAL A 67 0.794 9.162 4.620 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.559 10.226 3.849 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.612 7.908 3.778 1.00 0.00 C ATOM 0 H VAL A 67 -0.273 8.453 6.968 1.00 0.00 H new ATOM 0 HA VAL A 67 2.383 8.202 5.721 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.193 9.560 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.034 10.451 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.632 11.131 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.560 9.861 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.101 8.164 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.587 7.479 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.017 7.181 4.331 1.00 0.00 H new ATOM 991 N ILE A 68 3.289 10.321 6.641 1.00 0.00 N ATOM 992 CA ILE A 68 3.859 11.520 7.242 1.00 0.00 C ATOM 993 C ILE A 68 4.725 12.278 6.242 1.00 0.00 C ATOM 994 O ILE A 68 5.419 11.675 5.424 1.00 0.00 O ATOM 995 CB ILE A 68 4.706 11.180 8.483 1.00 0.00 C ATOM 996 CG1 ILE A 68 3.902 10.311 9.453 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.176 12.453 9.169 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.757 9.604 10.481 1.00 0.00 C ATOM 0 H ILE A 68 3.978 9.669 6.267 1.00 0.00 H new ATOM 0 HA ILE A 68 3.022 12.149 7.545 1.00 0.00 H new ATOM 0 HB ILE A 68 5.584 10.618 8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.171 10.935 9.967 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.343 9.568 8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.773 12.196 10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.781 13.038 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.311 13.039 9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.121 9.007 11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.471 8.953 9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.296 10.342 11.075 1.00 0.00 H new ATOM 1010 N SER A 69 4.680 13.605 6.315 1.00 0.00 N ATOM 1011 CA SER A 69 5.460 14.447 5.415 1.00 0.00 C ATOM 1012 C SER A 69 6.945 14.379 5.757 1.00 0.00 C ATOM 1013 O SER A 69 7.354 14.731 6.863 1.00 0.00 O ATOM 1014 CB SER A 69 4.973 15.895 5.488 1.00 0.00 C ATOM 1015 OG SER A 69 5.458 16.652 4.393 1.00 0.00 O ATOM 0 H SER A 69 4.112 14.120 6.988 1.00 0.00 H new ATOM 0 HA SER A 69 5.323 14.076 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.883 15.916 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.306 16.347 6.422 1.00 0.00 H new ATOM 0 HG SER A 69 5.131 17.573 4.462 1.00 0.00 H new ATOM 1021 N GLU A 70 7.746 13.924 4.800 1.00 0.00 N ATOM 1022 CA GLU A 70 9.186 13.810 5.000 1.00 0.00 C ATOM 1023 C GLU A 70 9.737 15.045 5.706 1.00 0.00 C ATOM 1024 O GLU A 70 10.762 14.981 6.385 1.00 0.00 O ATOM 1025 CB GLU A 70 9.896 13.616 3.658 1.00 0.00 C ATOM 1026 CG GLU A 70 11.388 13.356 3.791 1.00 0.00 C ATOM 1027 CD GLU A 70 11.702 11.904 4.092 1.00 0.00 C ATOM 1028 OE1 GLU A 70 11.718 11.091 3.145 1.00 0.00 O ATOM 1029 OE2 GLU A 70 11.933 11.581 5.276 1.00 0.00 O ATOM 0 H GLU A 70 7.423 13.628 3.879 1.00 0.00 H new ATOM 0 HA GLU A 70 9.372 12.940 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.436 12.781 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.744 14.504 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.888 13.648 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.793 13.984 4.585 1.00 0.00 H new ATOM 1036 N LYS A 71 9.050 16.170 5.540 1.00 0.00 N ATOM 1037 CA LYS A 71 9.468 17.421 6.161 1.00 0.00 C ATOM 1038 C LYS A 71 9.092 17.448 7.638 1.00 0.00 C ATOM 1039 O LYS A 71 9.960 17.446 8.510 1.00 0.00 O ATOM 1040 CB LYS A 71 8.830 18.611 5.439 1.00 0.00 C ATOM 1041 CG LYS A 71 9.544 18.999 4.156 1.00 0.00 C ATOM 1042 CD LYS A 71 9.056 20.338 3.630 1.00 0.00 C ATOM 1043 CE LYS A 71 7.739 20.197 2.882 1.00 0.00 C ATOM 1044 NZ LYS A 71 7.903 19.444 1.608 1.00 0.00 N ATOM 0 H LYS A 71 8.200 16.241 4.980 1.00 0.00 H new ATOM 0 HA LYS A 71 10.553 17.493 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.792 18.371 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.817 19.469 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.618 19.047 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.382 18.230 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.931 21.033 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.808 20.766 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.014 19.685 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.334 21.186 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.111 19.664 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.798 19.718 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.914 18.423 1.807 1.00 0.00 H new ATOM 1058 N ASN A 72 7.792 17.471 7.913 1.00 0.00 N ATOM 1059 CA ASN A 72 7.301 17.497 9.286 1.00 0.00 C ATOM 1060 C ASN A 72 6.825 16.114 9.720 1.00 0.00 C ATOM 1061 O ASN A 72 6.278 15.356 8.920 1.00 0.00 O ATOM 1062 CB ASN A 72 6.159 18.507 9.423 1.00 0.00 C ATOM 1063 CG ASN A 72 5.701 18.671 10.859 1.00 0.00 C ATOM 1064 OD1 ASN A 72 6.148 17.949 11.751 1.00 0.00 O ATOM 1065 ND2 ASN A 72 4.804 19.622 11.089 1.00 0.00 N ATOM 0 H ASN A 72 7.059 17.472 7.203 1.00 0.00 H new ATOM 0 HA ASN A 72 8.124 17.799 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.483 19.473 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.317 18.184 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.457 19.778 12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.461 20.197 10.319 1.00 0.00 H new ATOM 1072 N GLU A 73 7.039 15.793 10.992 1.00 0.00 N ATOM 1073 CA GLU A 73 6.632 14.501 11.532 1.00 0.00 C ATOM 1074 C GLU A 73 5.152 14.508 11.904 1.00 0.00 C ATOM 1075 O GLU A 73 4.364 13.729 11.369 1.00 0.00 O ATOM 1076 CB GLU A 73 7.476 14.147 12.758 1.00 0.00 C ATOM 1077 CG GLU A 73 8.973 14.221 12.509 1.00 0.00 C ATOM 1078 CD GLU A 73 9.467 15.645 12.345 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.458 16.394 13.344 1.00 0.00 O ATOM 1080 OE2 GLU A 73 9.862 16.010 11.218 1.00 0.00 O ATOM 0 H GLU A 73 7.491 16.409 11.667 1.00 0.00 H new ATOM 0 HA GLU A 73 6.791 13.747 10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.218 14.823 13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.220 13.139 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.499 13.751 13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.217 13.650 11.613 1.00 0.00 H new ATOM 1087 N GLU A 74 4.784 15.393 12.825 1.00 0.00 N ATOM 1088 CA GLU A 74 3.399 15.500 13.269 1.00 0.00 C ATOM 1089 C GLU A 74 2.461 15.700 12.083 1.00 0.00 C ATOM 1090 O GLU A 74 1.258 15.461 12.183 1.00 0.00 O ATOM 1091 CB GLU A 74 3.245 16.660 14.256 1.00 0.00 C ATOM 1092 CG GLU A 74 3.581 18.016 13.658 1.00 0.00 C ATOM 1093 CD GLU A 74 2.880 19.157 14.370 1.00 0.00 C ATOM 1094 OE1 GLU A 74 1.663 19.333 14.154 1.00 0.00 O ATOM 1095 OE2 GLU A 74 3.550 19.873 15.144 1.00 0.00 O ATOM 0 H GLU A 74 5.424 16.045 13.278 1.00 0.00 H new ATOM 0 HA GLU A 74 3.132 14.569 13.768 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.219 16.679 14.625 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.890 16.482 15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.659 18.172 13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.302 18.024 12.604 1.00 0.00 H new ATOM 1102 N GLU A 75 3.021 16.140 10.960 1.00 0.00 N ATOM 1103 CA GLU A 75 2.233 16.373 9.755 1.00 0.00 C ATOM 1104 C GLU A 75 1.707 15.059 9.187 1.00 0.00 C ATOM 1105 O GLU A 75 2.349 14.433 8.343 1.00 0.00 O ATOM 1106 CB GLU A 75 3.075 17.097 8.702 1.00 0.00 C ATOM 1107 CG GLU A 75 2.368 17.264 7.367 1.00 0.00 C ATOM 1108 CD GLU A 75 1.007 17.918 7.506 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.947 19.067 7.989 1.00 0.00 O ATOM 1110 OE2 GLU A 75 0.001 17.278 7.131 1.00 0.00 O ATOM 0 H GLU A 75 4.016 16.342 10.860 1.00 0.00 H new ATOM 0 HA GLU A 75 1.382 16.999 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.351 18.080 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.001 16.544 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.990 17.865 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.252 16.287 6.897 1.00 0.00 H new ATOM 1117 N VAL A 76 0.534 14.646 9.655 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.080 13.406 9.194 1.00 0.00 C ATOM 1119 C VAL A 76 -0.995 13.657 8.001 1.00 0.00 C ATOM 1120 O VAL A 76 -2.099 14.185 8.150 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.891 12.731 10.316 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -2.018 13.640 10.783 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.437 11.391 9.845 1.00 0.00 C ATOM 0 H VAL A 76 -0.011 15.152 10.353 1.00 0.00 H new ATOM 0 HA VAL A 76 0.731 12.743 8.893 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.228 12.551 11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.579 13.146 11.576 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.600 14.573 11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.683 13.854 9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.007 10.927 10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.086 11.545 8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.610 10.739 9.565 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.531 13.276 6.816 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.308 13.459 5.595 1.00 0.00 C ATOM 1135 C LEU A 77 -2.499 12.506 5.559 1.00 0.00 C ATOM 1136 O LEU A 77 -3.651 12.937 5.524 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.424 13.235 4.367 1.00 0.00 C ATOM 1138 CG LEU A 77 0.910 13.982 4.354 1.00 0.00 C ATOM 1139 CD1 LEU A 77 1.829 13.416 3.283 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.684 15.471 4.134 1.00 0.00 C ATOM 0 H LEU A 77 0.379 12.838 6.675 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.684 14.482 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.221 12.168 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.988 13.525 3.481 1.00 0.00 H new ATOM 0 HG LEU A 77 1.390 13.847 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.773 13.960 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.017 12.361 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.357 13.520 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.644 15.988 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.182 15.626 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.064 15.868 4.938 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.212 11.208 5.571 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.259 10.194 5.544 1.00 0.00 C ATOM 1154 C VAL A 78 -3.083 9.191 6.678 1.00 0.00 C ATOM 1155 O VAL A 78 -1.969 8.957 7.145 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.273 9.438 4.202 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.137 8.189 4.301 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.761 10.346 3.084 1.00 0.00 C ATOM 0 H VAL A 78 -1.263 10.834 5.599 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.208 10.716 5.669 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.254 9.128 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.135 7.668 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.738 7.531 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.158 8.472 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.764 9.795 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.771 10.688 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.097 11.206 2.998 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.190 8.601 7.117 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.157 7.622 8.197 1.00 0.00 C ATOM 1170 C GLU A 79 -4.975 6.385 7.837 1.00 0.00 C ATOM 1171 O GLU A 79 -6.192 6.357 8.020 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.691 8.240 9.491 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.625 7.304 10.686 1.00 0.00 C ATOM 1174 CD GLU A 79 -5.447 7.798 11.861 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.555 9.030 12.031 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -5.981 6.953 12.609 1.00 0.00 O ATOM 0 H GLU A 79 -5.121 8.784 6.742 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.121 7.320 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.121 9.142 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.726 8.547 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.979 6.317 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.586 7.190 10.996 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.297 5.365 7.322 1.00 0.00 N ATOM 1184 CA CYS A 80 -4.959 4.125 6.934 1.00 0.00 C ATOM 1185 C CYS A 80 -4.631 3.003 7.914 1.00 0.00 C ATOM 1186 O CYS A 80 -3.541 2.964 8.485 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.542 3.721 5.519 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.428 2.284 4.871 1.00 0.00 S ATOM 0 H CYS A 80 -3.289 5.373 7.164 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.035 4.296 6.953 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.702 4.566 4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.473 3.508 5.513 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.231 2.195 3.589 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.582 2.095 8.105 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.395 0.974 9.019 1.00 0.00 C ATOM 1196 C ARG A 81 -5.703 -0.350 8.325 1.00 0.00 C ATOM 1197 O ARG A 81 -6.822 -0.575 7.863 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.289 1.137 10.250 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.631 1.908 11.382 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.662 2.613 12.249 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.039 3.401 13.309 1.00 0.00 N ATOM 1202 CZ ARG A 81 -5.495 2.868 14.397 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -5.496 1.553 14.567 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -4.947 3.651 15.318 1.00 0.00 N ATOM 0 H ARG A 81 -6.489 2.113 7.640 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.352 0.965 9.335 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.206 1.649 9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.577 0.150 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.044 1.225 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.938 2.641 10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.275 3.264 11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.330 1.874 12.692 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.021 4.416 13.208 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.915 0.948 13.861 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.077 1.147 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.943 4.663 15.190 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.529 3.241 16.153 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.703 -1.223 8.256 1.00 0.00 N ATOM 1219 CA VAL A 82 -4.867 -2.524 7.619 1.00 0.00 C ATOM 1220 C VAL A 82 -6.271 -3.073 7.843 1.00 0.00 C ATOM 1221 O VAL A 82 -7.024 -3.286 6.893 1.00 0.00 O ATOM 1222 CB VAL A 82 -3.839 -3.542 8.150 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -3.964 -4.863 7.408 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.429 -2.985 8.032 1.00 0.00 C ATOM 0 H VAL A 82 -3.771 -1.053 8.633 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.704 -2.376 6.551 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.045 -3.725 9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.230 -5.569 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.967 -5.266 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.785 -4.702 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.716 -3.717 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.208 -2.772 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.351 -2.067 8.614 1.00 0.00 H new ATOM 1234 N ARG A 83 -6.618 -3.298 9.106 1.00 0.00 N ATOM 1235 CA ARG A 83 -7.933 -3.822 9.455 1.00 0.00 C ATOM 1236 C ARG A 83 -9.016 -3.203 8.577 1.00 0.00 C ATOM 1237 O ARG A 83 -9.915 -3.896 8.100 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.239 -3.550 10.929 1.00 0.00 C ATOM 1239 CG ARG A 83 -7.287 -4.246 11.888 1.00 0.00 C ATOM 1240 CD ARG A 83 -7.218 -3.526 13.226 1.00 0.00 C ATOM 1241 NE ARG A 83 -6.904 -4.438 14.322 1.00 0.00 N ATOM 1242 CZ ARG A 83 -7.683 -5.452 14.681 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -8.817 -5.683 14.033 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -7.329 -6.238 15.690 1.00 0.00 N ATOM 0 H ARG A 83 -6.007 -3.126 9.904 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.924 -4.899 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.199 -2.475 11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.258 -3.871 11.145 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.613 -5.274 12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.292 -4.291 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.461 -2.743 13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.171 -3.036 13.424 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.039 -4.288 14.841 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.093 -5.081 13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.413 -6.462 14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.458 -6.064 16.191 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.928 -7.016 15.965 1.00 0.00 H new ATOM 1258 N PHE A 84 -8.924 -1.894 8.368 1.00 0.00 N ATOM 1259 CA PHE A 84 -9.897 -1.180 7.548 1.00 0.00 C ATOM 1260 C PHE A 84 -9.703 -1.502 6.070 1.00 0.00 C ATOM 1261 O PHE A 84 -10.670 -1.677 5.328 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.777 0.328 7.774 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.485 0.808 9.008 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -9.833 0.836 10.230 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -11.803 1.231 8.947 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -10.481 1.278 11.368 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -12.457 1.674 10.081 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.795 1.696 11.294 1.00 0.00 C ATOM 0 H PHE A 84 -8.186 -1.306 8.755 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.894 -1.506 7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.722 0.594 7.844 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.181 0.850 6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.806 0.508 10.294 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.326 1.214 8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.960 1.296 12.314 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.484 2.003 10.019 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.304 2.039 12.182 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.445 -1.579 5.648 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.122 -1.879 4.257 1.00 0.00 C ATOM 1280 C LEU A 85 -9.122 -2.869 3.667 1.00 0.00 C ATOM 1281 O LEU A 85 -9.301 -3.970 4.188 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.705 -2.445 4.153 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.965 -2.166 2.844 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.462 -2.281 3.046 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.433 -3.119 1.754 1.00 0.00 C ATOM 0 H LEU A 85 -7.633 -1.438 6.249 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.179 -0.951 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.113 -2.042 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.755 -3.524 4.296 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.192 -1.147 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.952 -2.079 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.139 -1.558 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.216 -3.288 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.896 -2.906 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.236 -4.146 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.503 -2.988 1.591 1.00 0.00 H new ATOM 1297 N SER A 86 -9.768 -2.471 2.576 1.00 0.00 N ATOM 1298 CA SER A 86 -10.750 -3.322 1.916 1.00 0.00 C ATOM 1299 C SER A 86 -10.096 -4.159 0.821 1.00 0.00 C ATOM 1300 O SER A 86 -10.382 -5.347 0.677 1.00 0.00 O ATOM 1301 CB SER A 86 -11.875 -2.472 1.320 1.00 0.00 C ATOM 1302 OG SER A 86 -11.411 -1.716 0.215 1.00 0.00 O ATOM 0 H SER A 86 -9.629 -1.564 2.130 1.00 0.00 H new ATOM 0 HA SER A 86 -11.170 -3.996 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.695 -3.117 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.272 -1.802 2.082 1.00 0.00 H new ATOM 0 HG SER A 86 -10.608 -1.217 0.474 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.214 -3.529 0.051 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.518 -4.214 -1.032 1.00 0.00 C ATOM 1310 C PHE A 87 -7.254 -3.458 -1.430 1.00 0.00 C ATOM 1311 O PHE A 87 -7.269 -2.236 -1.575 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.439 -4.364 -2.244 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.797 -5.074 -3.401 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.470 -6.418 -3.312 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.519 -4.398 -4.578 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.880 -7.075 -4.375 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.929 -5.050 -5.645 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.607 -6.389 -5.542 1.00 0.00 C ATOM 0 H PHE A 87 -8.965 -2.546 0.157 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.232 -5.204 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.334 -4.910 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.762 -3.375 -2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.679 -6.958 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.766 -3.350 -4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.633 -8.123 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.720 -4.513 -6.558 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.142 -6.899 -6.373 1.00 0.00 H new ATOM 1328 N MET A 88 -6.161 -4.195 -1.604 1.00 0.00 N ATOM 1329 CA MET A 88 -4.888 -3.594 -1.986 1.00 0.00 C ATOM 1330 C MET A 88 -4.297 -4.301 -3.202 1.00 0.00 C ATOM 1331 O MET A 88 -4.430 -5.515 -3.352 1.00 0.00 O ATOM 1332 CB MET A 88 -3.902 -3.652 -0.818 1.00 0.00 C ATOM 1333 CG MET A 88 -3.327 -5.038 -0.576 1.00 0.00 C ATOM 1334 SD MET A 88 -2.088 -5.057 0.734 1.00 0.00 S ATOM 1335 CE MET A 88 -3.051 -5.698 2.101 1.00 0.00 C ATOM 0 H MET A 88 -6.131 -5.208 -1.487 1.00 0.00 H new ATOM 0 HA MET A 88 -5.070 -2.551 -2.247 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.084 -2.957 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.404 -3.313 0.088 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.135 -5.722 -0.317 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.880 -5.408 -1.499 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.961 -5.028 2.956 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.098 -5.771 1.806 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.681 -6.686 2.375 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.643 -3.533 -4.068 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.042 -4.103 -5.259 1.00 0.00 C ATOM 1347 C GLY A 89 -1.934 -3.235 -5.822 1.00 0.00 C ATOM 1348 O GLY A 89 -1.477 -2.298 -5.168 1.00 0.00 O ATOM 0 H GLY A 89 -3.519 -2.526 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.642 -5.090 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.811 -4.243 -6.019 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.500 -3.548 -7.039 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.438 -2.789 -7.690 1.00 0.00 C ATOM 1354 C VAL A 90 -0.869 -2.318 -9.074 1.00 0.00 C ATOM 1355 O VAL A 90 -1.348 -3.106 -9.889 1.00 0.00 O ATOM 1356 CB VAL A 90 0.848 -3.626 -7.822 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.868 -2.904 -8.690 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.428 -3.933 -6.449 1.00 0.00 C ATOM 0 H VAL A 90 -1.867 -4.321 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.236 -1.922 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 90 0.598 -4.570 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.770 -3.510 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.450 -2.740 -9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.116 -1.944 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.336 -4.525 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.664 -3.000 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.700 -4.494 -5.863 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.696 -1.025 -9.333 1.00 0.00 N ATOM 1369 CA GLY A 91 -1.072 -0.470 -10.621 1.00 0.00 C ATOM 1370 C GLY A 91 -0.419 -1.198 -11.779 1.00 0.00 C ATOM 1371 O GLY A 91 0.216 -2.236 -11.592 1.00 0.00 O ATOM 0 H GLY A 91 -0.303 -0.353 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.155 -0.517 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.793 0.583 -10.655 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.576 -0.654 -12.981 1.00 0.00 N ATOM 1376 CA LYS A 92 0.003 -1.257 -14.176 1.00 0.00 C ATOM 1377 C LYS A 92 1.504 -1.466 -14.007 1.00 0.00 C ATOM 1378 O LYS A 92 2.083 -2.382 -14.592 1.00 0.00 O ATOM 1379 CB LYS A 92 -0.267 -0.377 -15.398 1.00 0.00 C ATOM 1380 CG LYS A 92 -0.017 -1.081 -16.721 1.00 0.00 C ATOM 1381 CD LYS A 92 -0.175 -0.131 -17.896 1.00 0.00 C ATOM 1382 CE LYS A 92 1.085 0.691 -18.122 1.00 0.00 C ATOM 1383 NZ LYS A 92 1.189 1.822 -17.159 1.00 0.00 N ATOM 0 H LYS A 92 -1.100 0.204 -13.154 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.466 -2.229 -14.326 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.301 -0.035 -15.368 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.364 0.510 -15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.988 -1.503 -16.726 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.713 -1.913 -16.829 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.406 -0.700 -18.797 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.018 0.536 -17.715 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.960 0.049 -18.024 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.087 1.080 -19.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.467 2.686 -17.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.268 1.972 -16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.904 1.599 -16.438 1.00 0.00 H new ATOM 1397 N ASP A 93 2.129 -0.612 -13.204 1.00 0.00 N ATOM 1398 CA ASP A 93 3.563 -0.705 -12.956 1.00 0.00 C ATOM 1399 C ASP A 93 3.839 -1.181 -11.533 1.00 0.00 C ATOM 1400 O ASP A 93 3.244 -0.687 -10.576 1.00 0.00 O ATOM 1401 CB ASP A 93 4.232 0.650 -13.193 1.00 0.00 C ATOM 1402 CG ASP A 93 4.688 0.827 -14.628 1.00 0.00 C ATOM 1403 OD1 ASP A 93 3.923 0.458 -15.543 1.00 0.00 O ATOM 1404 OD2 ASP A 93 5.810 1.335 -14.836 1.00 0.00 O ATOM 0 H ASP A 93 1.665 0.153 -12.714 1.00 0.00 H new ATOM 0 HA ASP A 93 3.980 -1.434 -13.651 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.534 1.447 -12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.089 0.750 -12.527 1.00 0.00 H new ATOM 1409 N VAL A 94 4.747 -2.144 -11.402 1.00 0.00 N ATOM 1410 CA VAL A 94 5.102 -2.686 -10.097 1.00 0.00 C ATOM 1411 C VAL A 94 5.665 -1.602 -9.185 1.00 0.00 C ATOM 1412 O VAL A 94 5.628 -1.724 -7.960 1.00 0.00 O ATOM 1413 CB VAL A 94 6.135 -3.822 -10.223 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.725 -4.797 -11.316 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.520 -3.254 -10.496 1.00 0.00 C ATOM 0 H VAL A 94 5.249 -2.564 -12.184 1.00 0.00 H new ATOM 0 HA VAL A 94 4.186 -3.084 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 94 6.170 -4.365 -9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.466 -5.593 -11.391 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.754 -5.228 -11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.661 -4.270 -12.268 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.237 -4.070 -10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.503 -2.686 -11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.813 -2.599 -9.676 1.00 0.00 H new ATOM 1425 N HIS A 95 6.186 -0.539 -9.791 1.00 0.00 N ATOM 1426 CA HIS A 95 6.756 0.569 -9.034 1.00 0.00 C ATOM 1427 C HIS A 95 5.669 1.326 -8.276 1.00 0.00 C ATOM 1428 O HIS A 95 5.950 2.034 -7.308 1.00 0.00 O ATOM 1429 CB HIS A 95 7.501 1.524 -9.968 1.00 0.00 C ATOM 1430 CG HIS A 95 8.523 0.845 -10.827 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.193 0.061 -11.912 1.00 0.00 N ATOM 1432 CD2 HIS A 95 9.874 0.837 -10.756 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.297 -0.401 -12.471 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.332 0.056 -11.789 1.00 0.00 N ATOM 0 H HIS A 95 6.225 -0.422 -10.804 1.00 0.00 H new ATOM 0 HA HIS A 95 7.460 0.157 -8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.779 2.030 -10.608 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.992 2.293 -9.372 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.480 1.349 -10.023 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.345 -1.043 -13.338 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.312 -0.139 -11.996 1.00 0.00 H new ATOM 1443 N THR A 96 4.426 1.171 -8.722 1.00 0.00 N ATOM 1444 CA THR A 96 3.298 1.840 -8.088 1.00 0.00 C ATOM 1445 C THR A 96 2.608 0.923 -7.084 1.00 0.00 C ATOM 1446 O THR A 96 2.616 -0.298 -7.236 1.00 0.00 O ATOM 1447 CB THR A 96 2.265 2.310 -9.130 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.709 1.181 -9.812 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.905 3.254 -10.137 1.00 0.00 C ATOM 0 H THR A 96 4.176 0.588 -9.520 1.00 0.00 H new ATOM 0 HA THR A 96 3.699 2.709 -7.567 1.00 0.00 H new ATOM 0 HB THR A 96 1.471 2.845 -8.608 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.425 0.685 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.157 3.573 -10.863 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.301 4.126 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.716 2.740 -10.653 1.00 0.00 H new ATOM 1457 N PHE A 97 2.012 1.520 -6.057 1.00 0.00 N ATOM 1458 CA PHE A 97 1.317 0.756 -5.027 1.00 0.00 C ATOM 1459 C PHE A 97 0.133 1.543 -4.472 1.00 0.00 C ATOM 1460 O PHE A 97 0.309 2.574 -3.824 1.00 0.00 O ATOM 1461 CB PHE A 97 2.280 0.394 -3.894 1.00 0.00 C ATOM 1462 CG PHE A 97 1.602 0.213 -2.566 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.874 -0.935 -2.296 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.692 1.191 -1.588 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.249 -1.103 -1.075 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.069 1.027 -0.365 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.347 -0.122 -0.108 1.00 0.00 C ATOM 0 H PHE A 97 1.996 2.530 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 97 0.940 -0.161 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.804 -0.526 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.034 1.176 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.794 -1.706 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.255 2.091 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.316 -2.002 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.147 1.797 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.140 -0.253 0.847 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.072 1.048 -4.732 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.285 1.702 -4.258 1.00 0.00 C ATOM 1479 C ALA A 98 -3.112 0.762 -3.387 1.00 0.00 C ATOM 1480 O ALA A 98 -3.045 -0.458 -3.536 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.112 2.198 -5.435 1.00 0.00 C ATOM 0 H ALA A 98 -1.234 0.196 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.992 2.556 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.015 2.684 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.527 2.911 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.387 1.354 -6.068 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.890 1.338 -2.476 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.728 0.551 -1.579 1.00 0.00 C ATOM 1489 C PHE A 99 -6.045 1.268 -1.297 1.00 0.00 C ATOM 1490 O PHE A 99 -6.070 2.480 -1.081 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.991 0.277 -0.267 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.687 1.520 0.520 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.652 2.098 1.328 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.435 2.110 0.451 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.376 3.242 2.054 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.152 3.253 1.175 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.124 3.820 1.976 1.00 0.00 C ATOM 0 H PHE A 99 -3.957 2.347 -2.340 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.949 -0.398 -2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.594 -0.393 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.058 -0.243 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.632 1.650 1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.672 1.672 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.138 3.682 2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.172 3.702 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.905 4.714 2.541 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.137 0.511 -1.301 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.457 1.073 -1.044 1.00 0.00 C ATOM 1509 C ILE A 100 -8.889 0.827 0.397 1.00 0.00 C ATOM 1510 O ILE A 100 -9.056 -0.317 0.819 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.515 0.481 -1.993 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.104 0.698 -3.451 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.877 1.104 -1.723 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.630 -0.362 -4.392 1.00 0.00 C ATOM 0 H ILE A 100 -7.134 -0.493 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.382 2.146 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.585 -0.591 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.462 1.674 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.016 0.720 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.614 0.675 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.172 0.902 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.822 2.181 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.299 -0.144 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.251 -1.338 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.719 -0.370 -4.359 1.00 0.00 H new ATOM 1526 N MET A 101 -9.070 1.909 1.148 1.00 0.00 N ATOM 1527 CA MET A 101 -9.486 1.810 2.542 1.00 0.00 C ATOM 1528 C MET A 101 -10.922 2.294 2.716 1.00 0.00 C ATOM 1529 O MET A 101 -11.466 2.979 1.850 1.00 0.00 O ATOM 1530 CB MET A 101 -8.549 2.626 3.435 1.00 0.00 C ATOM 1531 CG MET A 101 -8.472 4.096 3.053 1.00 0.00 C ATOM 1532 SD MET A 101 -7.292 5.014 4.060 1.00 0.00 S ATOM 1533 CE MET A 101 -8.296 5.400 5.491 1.00 0.00 C ATOM 0 H MET A 101 -8.935 2.863 0.815 1.00 0.00 H new ATOM 0 HA MET A 101 -9.436 0.762 2.837 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.884 2.545 4.469 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.549 2.194 3.389 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.191 4.180 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.459 4.546 3.156 1.00 0.00 H new ATOM 0 HE1 MET A 101 -8.539 6.462 5.489 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.216 4.817 5.458 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.744 5.156 6.399 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.531 1.932 3.841 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.904 2.330 4.128 1.00 0.00 C ATOM 1545 C ASP A 102 -12.958 3.261 5.336 1.00 0.00 C ATOM 1546 O ASP A 102 -12.745 2.836 6.472 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.772 1.096 4.380 1.00 0.00 C ATOM 1548 CG ASP A 102 -15.249 1.432 4.448 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -15.579 2.617 4.660 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -16.076 0.509 4.289 1.00 0.00 O ATOM 0 H ASP A 102 -11.095 1.364 4.568 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.291 2.866 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.604 0.369 3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.466 0.625 5.314 1.00 0.00 H new ATOM 1555 N THR A 103 -13.244 4.534 5.082 1.00 0.00 N ATOM 1556 CA THR A 103 -13.325 5.526 6.147 1.00 0.00 C ATOM 1557 C THR A 103 -14.750 5.657 6.670 1.00 0.00 C ATOM 1558 O THR A 103 -14.980 5.668 7.879 1.00 0.00 O ATOM 1559 CB THR A 103 -12.837 6.906 5.667 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.361 7.184 4.364 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.318 6.961 5.631 1.00 0.00 C ATOM 0 H THR A 103 -13.423 4.902 4.148 1.00 0.00 H new ATOM 0 HA THR A 103 -12.677 5.179 6.952 1.00 0.00 H new ATOM 0 HB THR A 103 -13.194 7.658 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.048 8.064 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.998 7.945 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.924 6.778 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.942 6.199 4.948 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.323 4.668 0.337 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.294 5.491 -0.287 1.00 0.00 C ATOM 1609 C ARG A 107 -15.912 5.133 0.252 1.00 0.00 C ATOM 1610 O ARG A 107 -15.622 5.336 1.431 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.580 6.974 -0.044 1.00 0.00 C ATOM 1612 CG ARG A 107 -17.141 7.462 1.327 1.00 0.00 C ATOM 1613 CD ARG A 107 -17.951 8.669 1.773 1.00 0.00 C ATOM 1614 NE ARG A 107 -17.601 9.871 1.021 1.00 0.00 N ATOM 1615 CZ ARG A 107 -17.947 11.098 1.394 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -18.648 11.285 2.504 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -17.592 12.142 0.656 1.00 0.00 N ATOM 0 HA ARG A 107 -17.309 5.297 -1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.074 7.563 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.649 7.153 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.254 6.658 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.083 7.722 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.013 8.459 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.784 8.845 2.836 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.061 9.762 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.923 10.485 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.912 12.229 2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.053 12.003 -0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.858 13.084 0.943 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.062 4.600 -0.620 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.711 4.213 -0.232 1.00 0.00 C ATOM 1633 C PHE A 108 -12.676 5.128 -0.880 1.00 0.00 C ATOM 1634 O PHE A 108 -12.883 5.632 -1.983 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.441 2.759 -0.626 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.588 1.835 -0.331 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.223 1.869 0.900 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.030 0.932 -1.284 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.279 1.021 1.175 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.085 0.081 -1.015 1.00 0.00 C ATOM 1641 CZ PHE A 108 -16.710 0.125 0.216 1.00 0.00 C ATOM 0 H PHE A 108 -15.285 4.426 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.629 4.310 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.215 2.716 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.555 2.406 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.889 2.567 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.545 0.893 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.766 1.059 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.421 -0.618 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.534 -0.540 0.428 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.562 5.337 -0.184 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.496 6.193 -0.691 1.00 0.00 C ATOM 1653 C GLU A 109 -9.301 5.360 -1.146 1.00 0.00 C ATOM 1654 O GLU A 109 -8.779 4.539 -0.390 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.057 7.190 0.384 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.215 7.906 1.058 1.00 0.00 C ATOM 1657 CD GLU A 109 -11.687 9.117 0.276 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -11.527 9.123 -0.962 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -12.218 10.057 0.903 1.00 0.00 O ATOM 0 H GLU A 109 -11.375 4.926 0.731 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.883 6.743 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.476 6.663 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.396 7.930 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.046 7.211 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.912 8.219 2.057 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.873 5.578 -2.384 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.740 4.847 -2.942 1.00 0.00 C ATOM 1668 C CYS A 110 -6.494 5.725 -2.981 1.00 0.00 C ATOM 1669 O CYS A 110 -6.372 6.611 -3.828 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.072 4.347 -4.348 1.00 0.00 C ATOM 1671 SG CYS A 110 -7.182 2.847 -4.827 1.00 0.00 S ATOM 0 H CYS A 110 -9.293 6.255 -3.021 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.538 3.990 -2.299 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -9.143 4.157 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.846 5.136 -5.065 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.531 2.501 -6.030 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.570 5.475 -2.059 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.332 6.243 -1.988 1.00 0.00 C ATOM 1679 C HIS A 111 -3.198 5.514 -2.702 1.00 0.00 C ATOM 1680 O HIS A 111 -2.969 4.327 -2.474 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.950 6.501 -0.530 1.00 0.00 C ATOM 1682 CG HIS A 111 -5.046 7.130 0.274 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.354 8.472 0.206 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.909 6.592 1.168 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.359 8.733 1.023 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.714 7.609 1.618 1.00 0.00 N ATOM 0 H HIS A 111 -5.655 4.746 -1.350 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.497 7.198 -2.487 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.665 5.557 -0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.073 7.148 -0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.955 5.556 1.471 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.813 9.701 1.178 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.465 7.512 2.301 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.492 6.233 -3.569 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.382 5.655 -4.317 1.00 0.00 C ATOM 1696 C VAL A 112 -0.048 6.226 -3.849 1.00 0.00 C ATOM 1697 O VAL A 112 0.047 7.402 -3.495 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.533 5.906 -5.829 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.667 4.937 -6.620 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -2.992 5.791 -6.244 1.00 0.00 C ATOM 0 H VAL A 112 -2.669 7.217 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.400 4.581 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.195 6.919 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.787 5.129 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.378 5.073 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.971 3.914 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.081 5.971 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.358 4.791 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.584 6.529 -5.702 1.00 0.00 H new ATOM 1710 N PHE A 113 0.982 5.386 -3.850 1.00 0.00 N ATOM 1711 CA PHE A 113 2.312 5.806 -3.425 1.00 0.00 C ATOM 1712 C PHE A 113 3.390 5.142 -4.276 1.00 0.00 C ATOM 1713 O PHE A 113 3.440 3.917 -4.388 1.00 0.00 O ATOM 1714 CB PHE A 113 2.530 5.467 -1.949 1.00 0.00 C ATOM 1715 CG PHE A 113 1.512 6.086 -1.035 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.317 5.439 -0.768 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.751 7.316 -0.442 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.622 6.006 0.074 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.816 7.888 0.400 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.372 7.233 0.658 1.00 0.00 C ATOM 0 H PHE A 113 0.921 4.410 -4.141 1.00 0.00 H new ATOM 0 HA PHE A 113 2.384 6.886 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.506 4.384 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.524 5.800 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.116 4.480 -1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.678 7.833 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.550 5.490 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 113 1.014 8.847 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.104 7.679 1.315 1.00 0.00 H new ATOM 1730 N TRP A 114 4.250 5.959 -4.873 1.00 0.00 N ATOM 1731 CA TRP A 114 5.328 5.451 -5.715 1.00 0.00 C ATOM 1732 C TRP A 114 6.424 4.812 -4.870 1.00 0.00 C ATOM 1733 O TRP A 114 7.060 5.481 -4.054 1.00 0.00 O ATOM 1734 CB TRP A 114 5.914 6.580 -6.565 1.00 0.00 C ATOM 1735 CG TRP A 114 6.867 6.098 -7.616 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.219 5.951 -7.491 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.541 5.703 -8.953 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.753 5.488 -8.670 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.743 5.327 -9.582 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.349 5.627 -9.679 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.787 4.884 -10.901 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.393 5.188 -10.988 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.605 4.821 -11.589 1.00 0.00 C ATOM 0 H TRP A 114 4.222 6.975 -4.790 1.00 0.00 H new ATOM 0 HA TRP A 114 4.913 4.688 -6.374 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.100 7.124 -7.044 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.429 7.286 -5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.785 6.167 -6.597 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.740 5.296 -8.839 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.410 5.907 -9.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.720 4.600 -11.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.478 5.126 -11.558 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.606 4.482 -12.614 1.00 0.00 H new ATOM 1754 N CYS A 115 6.640 3.517 -5.070 1.00 0.00 N ATOM 1755 CA CYS A 115 7.661 2.788 -4.325 1.00 0.00 C ATOM 1756 C CYS A 115 8.991 2.798 -5.072 1.00 0.00 C ATOM 1757 O CYS A 115 9.035 3.053 -6.275 1.00 0.00 O ATOM 1758 CB CYS A 115 7.211 1.347 -4.079 1.00 0.00 C ATOM 1759 SG CYS A 115 5.730 1.202 -3.052 1.00 0.00 S ATOM 0 H CYS A 115 6.122 2.950 -5.741 1.00 0.00 H new ATOM 0 HA CYS A 115 7.801 3.286 -3.366 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.023 0.867 -5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.025 0.800 -3.604 1.00 0.00 H new ATOM 0 HG CYS A 115 5.785 2.070 -2.086 1.00 0.00 H new ATOM 1765 N GLU A 116 10.071 2.520 -4.350 1.00 0.00 N ATOM 1766 CA GLU A 116 11.402 2.500 -4.944 1.00 0.00 C ATOM 1767 C GLU A 116 12.286 1.457 -4.265 1.00 0.00 C ATOM 1768 O GLU A 116 12.424 1.426 -3.042 1.00 0.00 O ATOM 1769 CB GLU A 116 12.053 3.881 -4.841 1.00 0.00 C ATOM 1770 CG GLU A 116 11.295 4.968 -5.585 1.00 0.00 C ATOM 1771 CD GLU A 116 12.200 6.084 -6.068 1.00 0.00 C ATOM 1772 OE1 GLU A 116 12.901 5.882 -7.082 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.208 7.159 -5.433 1.00 0.00 O ATOM 0 H GLU A 116 10.051 2.306 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 116 11.297 2.234 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.132 4.159 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.069 3.825 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.780 4.527 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.529 5.384 -4.931 1.00 0.00 H new ATOM 1780 N PRO A 117 12.899 0.583 -5.076 1.00 0.00 N ATOM 1781 CA PRO A 117 12.742 0.610 -6.533 1.00 0.00 C ATOM 1782 C PRO A 117 11.344 0.188 -6.974 1.00 0.00 C ATOM 1783 O PRO A 117 10.724 0.841 -7.812 1.00 0.00 O ATOM 1784 CB PRO A 117 13.783 -0.400 -7.022 1.00 0.00 C ATOM 1785 CG PRO A 117 13.976 -1.330 -5.874 1.00 0.00 C ATOM 1786 CD PRO A 117 13.792 -0.501 -4.633 1.00 0.00 C ATOM 0 HA PRO A 117 12.878 1.613 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.434 -0.931 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.716 0.093 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.255 -2.147 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 117 14.969 -1.780 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.349 -1.082 -3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.742 -0.114 -4.264 1.00 0.00 H new ATOM 1794 N ASN A 118 10.854 -0.906 -6.402 1.00 0.00 N ATOM 1795 CA ASN A 118 9.528 -1.415 -6.736 1.00 0.00 C ATOM 1796 C ASN A 118 8.635 -1.459 -5.500 1.00 0.00 C ATOM 1797 O ASN A 118 9.031 -1.022 -4.420 1.00 0.00 O ATOM 1798 CB ASN A 118 9.635 -2.811 -7.352 1.00 0.00 C ATOM 1799 CG ASN A 118 10.801 -3.603 -6.791 1.00 0.00 C ATOM 1800 OD1 ASN A 118 10.972 -3.552 -5.475 1.00 0.00 O flip ATOM 1801 ND2 ASN A 118 11.539 -4.252 -7.533 1.00 0.00 N flip ATOM 0 H ASN A 118 11.354 -1.458 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 118 9.079 -0.738 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.709 -3.357 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.747 -2.721 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.370 -4.262 -8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.320 -4.779 -7.142 1.00 0.00 H new ATOM 1808 N ALA A 119 7.428 -1.990 -5.667 1.00 0.00 N ATOM 1809 CA ALA A 119 6.480 -2.094 -4.565 1.00 0.00 C ATOM 1810 C ALA A 119 6.457 -3.507 -3.991 1.00 0.00 C ATOM 1811 O ALA A 119 5.396 -4.037 -3.665 1.00 0.00 O ATOM 1812 CB ALA A 119 5.088 -1.688 -5.026 1.00 0.00 C ATOM 0 H ALA A 119 7.084 -2.355 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 119 6.803 -1.415 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.390 -1.771 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.108 -0.658 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.767 -2.344 -5.835 1.00 0.00 H new ATOM 1818 N ALA A 120 7.635 -4.111 -3.872 1.00 0.00 N ATOM 1819 CA ALA A 120 7.750 -5.462 -3.337 1.00 0.00 C ATOM 1820 C ALA A 120 7.859 -5.442 -1.816 1.00 0.00 C ATOM 1821 O ALA A 120 7.109 -6.126 -1.122 1.00 0.00 O ATOM 1822 CB ALA A 120 8.952 -6.170 -3.945 1.00 0.00 C ATOM 0 H ALA A 120 8.523 -3.686 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 120 6.846 -6.010 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.026 -7.178 -3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.833 -6.225 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.860 -5.615 -3.708 1.00 0.00 H new ATOM 1828 N ASN A 121 8.799 -4.653 -1.305 1.00 0.00 N ATOM 1829 CA ASN A 121 9.007 -4.546 0.134 1.00 0.00 C ATOM 1830 C ASN A 121 7.815 -3.872 0.807 1.00 0.00 C ATOM 1831 O ASN A 121 7.235 -4.410 1.751 1.00 0.00 O ATOM 1832 CB ASN A 121 10.285 -3.758 0.429 1.00 0.00 C ATOM 1833 CG ASN A 121 11.398 -4.074 -0.552 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.660 -3.308 -1.479 1.00 0.00 O ATOM 1835 ND2 ASN A 121 12.059 -5.208 -0.351 1.00 0.00 N ATOM 0 H ASN A 121 9.428 -4.079 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 121 9.108 -5.554 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.067 -2.691 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.622 -3.982 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.818 -5.474 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.808 -5.813 0.431 1.00 0.00 H new ATOM 1842 N VAL A 122 7.454 -2.691 0.315 1.00 0.00 N ATOM 1843 CA VAL A 122 6.330 -1.944 0.867 1.00 0.00 C ATOM 1844 C VAL A 122 5.069 -2.800 0.909 1.00 0.00 C ATOM 1845 O VAL A 122 4.477 -2.999 1.970 1.00 0.00 O ATOM 1846 CB VAL A 122 6.046 -0.671 0.048 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.791 0.022 0.557 1.00 0.00 C ATOM 1848 CG2 VAL A 122 7.241 0.269 0.095 1.00 0.00 C ATOM 0 H VAL A 122 7.924 -2.231 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 122 6.607 -1.660 1.882 1.00 0.00 H new ATOM 0 HB VAL A 122 5.878 -0.957 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.606 0.919 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.940 -0.654 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.926 0.297 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.024 1.163 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.442 0.550 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.115 -0.232 -0.321 1.00 0.00 H new ATOM 1858 N SER A 123 4.664 -3.305 -0.252 1.00 0.00 N ATOM 1859 CA SER A 123 3.471 -4.137 -0.349 1.00 0.00 C ATOM 1860 C SER A 123 3.576 -5.347 0.574 1.00 0.00 C ATOM 1861 O SER A 123 2.596 -5.751 1.200 1.00 0.00 O ATOM 1862 CB SER A 123 3.261 -4.599 -1.792 1.00 0.00 C ATOM 1863 OG SER A 123 4.179 -5.622 -2.138 1.00 0.00 O ATOM 0 H SER A 123 5.145 -3.152 -1.139 1.00 0.00 H new ATOM 0 HA SER A 123 2.615 -3.538 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.241 -4.964 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.381 -3.753 -2.469 1.00 0.00 H new ATOM 0 HG SER A 123 4.642 -5.379 -2.967 1.00 0.00 H new ATOM 1869 N GLU A 124 4.773 -5.921 0.653 1.00 0.00 N ATOM 1870 CA GLU A 124 5.007 -7.086 1.499 1.00 0.00 C ATOM 1871 C GLU A 124 4.776 -6.746 2.969 1.00 0.00 C ATOM 1872 O GLU A 124 4.177 -7.524 3.710 1.00 0.00 O ATOM 1873 CB GLU A 124 6.431 -7.609 1.302 1.00 0.00 C ATOM 1874 CG GLU A 124 6.792 -8.756 2.231 1.00 0.00 C ATOM 1875 CD GLU A 124 8.163 -9.333 1.940 1.00 0.00 C ATOM 1876 OE1 GLU A 124 8.332 -9.953 0.869 1.00 0.00 O ATOM 1877 OE2 GLU A 124 9.069 -9.164 2.784 1.00 0.00 O ATOM 0 H GLU A 124 5.595 -5.599 0.142 1.00 0.00 H new ATOM 0 HA GLU A 124 4.299 -7.863 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.549 -7.938 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.134 -6.791 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.761 -8.406 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.044 -9.543 2.138 1.00 0.00 H new ATOM 1884 N ALA A 125 5.258 -5.578 3.382 1.00 0.00 N ATOM 1885 CA ALA A 125 5.104 -5.134 4.762 1.00 0.00 C ATOM 1886 C ALA A 125 3.631 -5.015 5.139 1.00 0.00 C ATOM 1887 O ALA A 125 3.210 -5.487 6.196 1.00 0.00 O ATOM 1888 CB ALA A 125 5.813 -3.804 4.971 1.00 0.00 C ATOM 0 H ALA A 125 5.758 -4.923 2.781 1.00 0.00 H new ATOM 0 HA ALA A 125 5.559 -5.882 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.690 -3.485 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.874 -3.919 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.384 -3.054 4.306 1.00 0.00 H new ATOM 1894 N VAL A 126 2.851 -4.381 4.269 1.00 0.00 N ATOM 1895 CA VAL A 126 1.425 -4.201 4.512 1.00 0.00 C ATOM 1896 C VAL A 126 0.675 -5.522 4.387 1.00 0.00 C ATOM 1897 O VAL A 126 -0.217 -5.818 5.183 1.00 0.00 O ATOM 1898 CB VAL A 126 0.813 -3.182 3.531 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.039 -3.623 2.093 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.670 -2.995 3.814 1.00 0.00 C ATOM 0 H VAL A 126 3.183 -3.984 3.390 1.00 0.00 H new ATOM 0 HA VAL A 126 1.323 -3.823 5.529 1.00 0.00 H new ATOM 0 HB VAL A 126 1.310 -2.222 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.600 -2.891 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.109 -3.700 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.570 -4.594 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.086 -2.272 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.185 -3.949 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.803 -2.630 4.832 1.00 0.00 H new ATOM 1910 N GLN A 127 1.043 -6.313 3.385 1.00 0.00 N ATOM 1911 CA GLN A 127 0.404 -7.604 3.156 1.00 0.00 C ATOM 1912 C GLN A 127 0.554 -8.509 4.375 1.00 0.00 C ATOM 1913 O GLN A 127 -0.423 -9.076 4.863 1.00 0.00 O ATOM 1914 CB GLN A 127 1.005 -8.284 1.925 1.00 0.00 C ATOM 1915 CG GLN A 127 0.482 -9.692 1.691 1.00 0.00 C ATOM 1916 CD GLN A 127 1.321 -10.468 0.696 1.00 0.00 C ATOM 1917 OE1 GLN A 127 2.523 -10.234 0.563 1.00 0.00 O ATOM 1918 NE2 GLN A 127 0.692 -11.400 -0.010 1.00 0.00 N ATOM 0 H GLN A 127 1.780 -6.083 2.719 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.658 -7.429 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.794 -7.676 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.089 -8.321 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.460 -10.229 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.545 -9.639 1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.305 -11.561 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 127 1.206 -11.955 -0.694 1.00 0.00 H new ATOM 1927 N ALA A 128 1.784 -8.639 4.861 1.00 0.00 N ATOM 1928 CA ALA A 128 2.062 -9.473 6.024 1.00 0.00 C ATOM 1929 C ALA A 128 1.408 -8.902 7.278 1.00 0.00 C ATOM 1930 O ALA A 128 0.854 -9.641 8.091 1.00 0.00 O ATOM 1931 CB ALA A 128 3.563 -9.613 6.226 1.00 0.00 C ATOM 0 H ALA A 128 2.604 -8.177 4.467 1.00 0.00 H new ATOM 0 HA ALA A 128 1.637 -10.460 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.756 -10.238 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.007 -10.073 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.003 -8.628 6.382 1.00 0.00 H new ATOM 1937 N ALA A 129 1.478 -7.583 7.428 1.00 0.00 N ATOM 1938 CA ALA A 129 0.891 -6.914 8.582 1.00 0.00 C ATOM 1939 C ALA A 129 -0.443 -7.546 8.964 1.00 0.00 C ATOM 1940 O ALA A 129 -0.694 -7.827 10.137 1.00 0.00 O ATOM 1941 CB ALA A 129 0.713 -5.430 8.297 1.00 0.00 C ATOM 0 H ALA A 129 1.935 -6.957 6.765 1.00 0.00 H new ATOM 0 HA ALA A 129 1.572 -7.032 9.425 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.274 -4.943 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.683 -4.982 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.055 -5.301 7.438 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.294 -7.765 7.969 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.605 -8.363 8.201 1.00 0.00 C ATOM 1949 C CYS A 130 -2.508 -9.514 9.197 1.00 0.00 C ATOM 1950 O CYS A 130 -3.316 -9.619 10.120 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.202 -8.860 6.885 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.495 -7.556 5.667 1.00 0.00 S ATOM 0 H CYS A 130 -1.101 -7.538 6.994 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.258 -7.597 8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.532 -9.603 6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.145 -9.365 7.094 1.00 0.00 H new ATOM 0 HG CYS A 130 -2.506 -7.519 4.824 1.00 0.00 H new ATOM 2337 N HIS A 163 6.303 -11.892 -7.065 1.00 0.00 N ATOM 2338 CA HIS A 163 5.228 -11.643 -6.110 1.00 0.00 C ATOM 2339 C HIS A 163 4.381 -10.451 -6.544 1.00 0.00 C ATOM 2340 O HIS A 163 3.152 -10.522 -6.559 1.00 0.00 O ATOM 2341 CB HIS A 163 5.804 -11.394 -4.716 1.00 0.00 C ATOM 2342 CG HIS A 163 4.939 -10.524 -3.857 1.00 0.00 C ATOM 2343 ND1 HIS A 163 4.883 -9.177 -3.735 1.00 0.00 N flip ATOM 2344 CD2 HIS A 163 3.993 -11.026 -2.989 1.00 0.00 C flip ATOM 2345 CE1 HIS A 163 3.912 -8.893 -2.806 1.00 0.00 C flip ATOM 2346 NE2 HIS A 163 3.390 -10.026 -2.371 1.00 0.00 N flip ATOM 0 HA HIS A 163 4.591 -12.527 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.952 -12.352 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.786 -10.931 -4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 163 3.778 -12.074 -2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 163 3.622 -7.904 -2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 163 2.648 -10.114 -1.677 1.00 0.00 H new ATOM 2354 N LEU A 164 5.046 -9.356 -6.895 1.00 0.00 N ATOM 2355 CA LEU A 164 4.355 -8.147 -7.329 1.00 0.00 C ATOM 2356 C LEU A 164 3.264 -8.477 -8.343 1.00 0.00 C ATOM 2357 O LEU A 164 2.151 -7.957 -8.264 1.00 0.00 O ATOM 2358 CB LEU A 164 5.349 -7.157 -7.938 1.00 0.00 C ATOM 2359 CG LEU A 164 6.178 -6.342 -6.945 1.00 0.00 C ATOM 2360 CD1 LEU A 164 7.438 -5.811 -7.610 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.352 -5.198 -6.373 1.00 0.00 C ATOM 0 H LEU A 164 6.063 -9.280 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 164 3.888 -7.693 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.032 -7.709 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 164 4.798 -6.465 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 164 6.473 -6.996 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.015 -5.234 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.039 -6.646 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.165 -5.172 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 164 5.958 -4.629 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.026 -4.544 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.480 -5.601 -5.859 1.00 0.00 H new ATOM 2373 N SER A 165 3.590 -9.348 -9.293 1.00 0.00 N ATOM 2374 CA SER A 165 2.639 -9.747 -10.323 1.00 0.00 C ATOM 2375 C SER A 165 1.343 -10.256 -9.698 1.00 0.00 C ATOM 2376 O SER A 165 0.257 -9.761 -10.001 1.00 0.00 O ATOM 2377 CB SER A 165 3.247 -10.830 -11.216 1.00 0.00 C ATOM 2378 OG SER A 165 4.083 -10.262 -12.209 1.00 0.00 O ATOM 0 H SER A 165 4.506 -9.791 -9.370 1.00 0.00 H new ATOM 0 HA SER A 165 2.410 -8.871 -10.930 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.822 -11.527 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.451 -11.403 -11.691 1.00 0.00 H new ATOM 0 HG SER A 165 4.461 -10.975 -12.765 1.00 0.00 H new ATOM 2384 N LYS A 166 1.465 -11.249 -8.824 1.00 0.00 N ATOM 2385 CA LYS A 166 0.306 -11.826 -8.154 1.00 0.00 C ATOM 2386 C LYS A 166 -0.654 -10.735 -7.690 1.00 0.00 C ATOM 2387 O LYS A 166 -1.867 -10.851 -7.857 1.00 0.00 O ATOM 2388 CB LYS A 166 0.751 -12.671 -6.957 1.00 0.00 C ATOM 2389 CG LYS A 166 1.822 -13.692 -7.299 1.00 0.00 C ATOM 2390 CD LYS A 166 1.944 -14.754 -6.220 1.00 0.00 C ATOM 2391 CE LYS A 166 0.909 -15.854 -6.401 1.00 0.00 C ATOM 2392 NZ LYS A 166 1.266 -17.083 -5.641 1.00 0.00 N ATOM 0 H LYS A 166 2.356 -11.671 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.215 -12.464 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.127 -12.010 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -0.116 -13.189 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 166 1.584 -14.165 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.780 -13.188 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 166 2.944 -15.186 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 166 1.820 -14.294 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -0.065 -15.493 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 166 0.818 -16.096 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 0.536 -17.808 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 2.184 -17.442 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 1.328 -16.859 -4.627 1.00 0.00 H new ATOM 2406 N MET A 167 -0.101 -9.675 -7.108 1.00 0.00 N ATOM 2407 CA MET A 167 -0.909 -8.562 -6.623 1.00 0.00 C ATOM 2408 C MET A 167 -1.675 -7.907 -7.768 1.00 0.00 C ATOM 2409 O MET A 167 -2.842 -7.545 -7.618 1.00 0.00 O ATOM 2410 CB MET A 167 -0.023 -7.526 -5.928 1.00 0.00 C ATOM 2411 CG MET A 167 0.737 -8.080 -4.734 1.00 0.00 C ATOM 2412 SD MET A 167 1.071 -6.827 -3.481 1.00 0.00 S ATOM 2413 CE MET A 167 -0.179 -7.227 -2.261 1.00 0.00 C ATOM 0 H MET A 167 0.902 -9.564 -6.961 1.00 0.00 H new ATOM 0 HA MET A 167 -1.629 -8.954 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 167 0.690 -7.128 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.643 -6.692 -5.599 1.00 0.00 H new ATOM 0 HG2 MET A 167 0.162 -8.891 -4.287 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.680 -8.508 -5.075 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.101 -6.537 -1.421 1.00 0.00 H new ATOM 0 HE2 MET A 167 -1.168 -7.140 -2.711 1.00 0.00 H new ATOM 0 HE3 MET A 167 -0.029 -8.247 -1.908 1.00 0.00 H new ATOM 2423 N GLN A 168 -1.011 -7.758 -8.910 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.631 -7.146 -10.079 1.00 0.00 C ATOM 2425 C GLN A 168 -2.610 -8.108 -10.743 1.00 0.00 C ATOM 2426 O GLN A 168 -3.523 -7.687 -11.452 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.560 -6.715 -11.083 1.00 0.00 C ATOM 2428 CG GLN A 168 0.550 -5.879 -10.467 1.00 0.00 C ATOM 2429 CD GLN A 168 1.742 -5.721 -11.391 1.00 0.00 C ATOM 2430 OE1 GLN A 168 2.553 -6.636 -11.538 1.00 0.00 O ATOM 2431 NE2 GLN A 168 1.854 -4.557 -12.019 1.00 0.00 N ATOM 0 H GLN A 168 -0.045 -8.053 -9.050 1.00 0.00 H new ATOM 0 HA GLN A 168 -2.183 -6.267 -9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.124 -7.603 -11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -1.032 -6.144 -11.883 1.00 0.00 H new ATOM 0 HG2 GLN A 168 0.159 -4.894 -10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.876 -6.343 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.158 -3.827 -11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.636 -4.393 -12.653 1.00 0.00 H new ATOM 2440 N GLN A 169 -2.413 -9.401 -10.508 1.00 0.00 N ATOM 2441 CA GLN A 169 -3.279 -10.423 -11.085 1.00 0.00 C ATOM 2442 C GLN A 169 -4.596 -10.515 -10.321 1.00 0.00 C ATOM 2443 O GLN A 169 -5.637 -10.072 -10.804 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.575 -11.781 -11.078 1.00 0.00 C ATOM 2445 CG GLN A 169 -1.465 -11.897 -12.110 1.00 0.00 C ATOM 2446 CD GLN A 169 -0.686 -13.192 -11.987 1.00 0.00 C ATOM 2447 OE1 GLN A 169 0.460 -13.132 -11.320 1.00 0.00 O flip ATOM 2448 NE2 GLN A 169 -1.110 -14.234 -12.486 1.00 0.00 N flip ATOM 0 H GLN A 169 -1.662 -9.766 -9.922 1.00 0.00 H new ATOM 0 HA GLN A 169 -3.497 -10.140 -12.115 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -2.158 -11.959 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -3.312 -12.564 -11.260 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.895 -11.830 -13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.782 -11.055 -11.999 1.00 0.00 H new ATOM 0 HE21 GLN A 169 -1.997 -14.234 -12.990 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.575 -15.098 -12.395 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.541 -11.094 -9.126 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.731 -11.245 -8.295 1.00 0.00 C ATOM 2459 C ASN A 170 -5.754 -10.200 -7.183 1.00 0.00 C ATOM 2460 O ASN A 170 -6.815 -9.707 -6.803 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.781 -12.650 -7.692 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.886 -12.789 -6.476 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -5.364 -12.864 -5.344 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.578 -12.825 -6.706 1.00 0.00 N ATOM 0 H ASN A 170 -3.687 -11.466 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.607 -11.096 -8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.808 -12.886 -7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.480 -13.377 -8.446 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.926 -12.918 -5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.226 -12.760 -7.661 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.575 -9.867 -6.667 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.482 -8.883 -5.604 1.00 0.00 C ATOM 2473 C GLY A 171 -4.626 -9.501 -4.228 1.00 0.00 C ATOM 2474 O GLY A 171 -4.440 -10.706 -4.058 1.00 0.00 O ATOM 0 H GLY A 171 -3.683 -10.261 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.522 -8.371 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.256 -8.128 -5.743 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.955 -8.674 -3.241 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.118 -9.146 -1.871 1.00 0.00 C ATOM 2480 C TYR A 172 -6.408 -8.607 -1.260 1.00 0.00 C ATOM 2481 O TYR A 172 -6.620 -7.397 -1.199 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.921 -8.723 -1.018 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.882 -9.386 0.341 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.413 -10.685 0.488 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.315 -8.713 1.477 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -3.376 -11.295 1.727 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.280 -9.315 2.720 1.00 0.00 C ATOM 2488 CZ TYR A 172 -3.810 -10.606 2.840 1.00 0.00 C ATOM 2489 OH TYR A 172 -3.775 -11.209 4.076 1.00 0.00 O ATOM 0 H TYR A 172 -5.114 -7.674 -3.364 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.174 -10.234 -1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.002 -8.958 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.944 -7.641 -0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.071 -11.228 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.685 -7.702 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.009 -12.306 1.823 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.619 -8.777 3.593 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.114 -10.587 4.753 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.266 -9.517 -0.809 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.536 -9.134 -0.203 1.00 0.00 C ATOM 2501 C GLU A 173 -8.491 -9.312 1.312 1.00 0.00 C ATOM 2502 O GLU A 173 -8.511 -10.434 1.817 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.678 -9.965 -0.791 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.795 -9.855 -2.302 1.00 0.00 C ATOM 2505 CD GLU A 173 -8.935 -10.870 -3.029 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -8.730 -11.975 -2.484 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -8.466 -10.559 -4.144 1.00 0.00 O ATOM 0 H GLU A 173 -7.105 -10.523 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.712 -8.081 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.531 -11.011 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.617 -9.648 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.836 -9.992 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.507 -8.851 -2.613 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.430 -8.196 2.031 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.381 -8.227 3.489 1.00 0.00 C ATOM 2516 C ASN A 174 -9.290 -9.321 4.040 1.00 0.00 C ATOM 2517 O ASN A 174 -10.482 -9.383 3.738 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.791 -6.870 4.063 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.382 -6.709 5.514 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -8.412 -7.665 6.289 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -7.998 -5.494 5.889 1.00 0.00 N ATOM 0 H ASN A 174 -8.413 -7.259 1.628 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.356 -8.445 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.337 -6.076 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.871 -6.754 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -7.712 -5.324 6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -7.989 -4.731 5.213 1.00 0.00 H new