USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 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 96 ASN : amide:sc= -4.32 X(o=-7.3,f=-7.1!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -3.01! C(o=-7.3!,f=-7.1!) USER MOD Set 2.1: A 93 MET CE :methyl 153:sc= -0.54 (180deg=-1.92) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= -0.983 USER MOD Set 3.1: A 53 SER OG : rot 70:sc= 0.226 USER MOD Set 3.2: A 95 GLN : amide:sc= 0.0891 X(o=0.32,f=-0.035) USER MOD Set 4.1: A 52 TYR OH : rot 26:sc= -0.955 USER MOD Set 4.2: A 75 MET CE :methyl 164:sc= -1.83 (180deg=-2.23!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -164:sc= 1.09 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 10:sc= 0.278 USER MOD Single : A 40 THR OG1 : rot 178:sc= 0.534 USER MOD Single : A 43 SER OG : rot 130:sc= -0.0441 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.086) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= -0.114 (180deg=-0.744) USER MOD Single : A 68 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.0028) USER MOD Single : A 69 THR OG1 : rot 126:sc= 1.14 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.012) USER MOD Single : A 76 GLN : amide:sc= -7.71! C(o=-7.7!,f=-13!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 81 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.35) USER MOD Single : A 83 MET CE :methyl 148:sc= -0.71! (180deg=-2.22!) USER MOD Single : A 86 THR OG1 : rot 68:sc= 0.0761 USER MOD Single : A 88 TYR OH : rot 30:sc= 0.105 USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= -0.197 (180deg=-1.14) USER MOD Single : A 100 SER OG : rot 35:sc= 0.342 USER MOD Single : A 104 SER OG : rot 90:sc= -0.0164 USER MOD Single : A 111 THR OG1 : rot -163:sc= 1.09 USER MOD Single : A 112 GLN : amide:sc= 0.193 K(o=0.19,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.793 10.895 -5.913 1.00 0.00 N ATOM 183 CA LEU A 17 14.391 10.537 -5.730 1.00 0.00 C ATOM 184 C LEU A 17 14.051 10.406 -4.248 1.00 0.00 C ATOM 185 O LEU A 17 14.905 10.106 -3.414 1.00 0.00 O ATOM 186 CB LEU A 17 14.081 9.225 -6.453 1.00 0.00 C ATOM 187 CG LEU A 17 13.905 9.320 -7.969 1.00 0.00 C ATOM 188 CD1 LEU A 17 13.995 7.942 -8.605 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.578 9.982 -8.312 1.00 0.00 C ATOM 0 HA LEU A 17 13.780 11.333 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.885 8.519 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.170 8.805 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 17 14.710 9.936 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.867 8.030 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.970 7.505 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.212 7.302 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.470 10.041 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.760 9.393 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.553 10.986 -7.890 1.00 0.00 H new ATOM 201 N PRO A 18 12.773 10.634 -3.912 1.00 0.00 N ATOM 202 CA PRO A 18 12.290 10.545 -2.531 1.00 0.00 C ATOM 203 C PRO A 18 12.272 9.110 -2.014 1.00 0.00 C ATOM 204 O PRO A 18 12.805 8.204 -2.654 1.00 0.00 O ATOM 205 CB PRO A 18 10.866 11.100 -2.616 1.00 0.00 C ATOM 206 CG PRO A 18 10.451 10.863 -4.028 1.00 0.00 C ATOM 207 CD PRO A 18 11.700 10.995 -4.854 1.00 0.00 C ATOM 0 HA PRO A 18 12.933 11.088 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.201 10.593 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.839 12.161 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.009 9.873 -4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.698 11.587 -4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.683 10.330 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.824 12.009 -5.235 1.00 0.00 H new ATOM 215 N SER A 19 11.657 8.912 -0.853 1.00 0.00 N ATOM 216 CA SER A 19 11.573 7.587 -0.249 1.00 0.00 C ATOM 217 C SER A 19 10.122 7.209 0.032 1.00 0.00 C ATOM 218 O SER A 19 9.331 8.034 0.489 1.00 0.00 O ATOM 219 CB SER A 19 12.384 7.543 1.048 1.00 0.00 C ATOM 220 OG SER A 19 13.751 7.825 0.805 1.00 0.00 O ATOM 0 H SER A 19 11.210 9.652 -0.312 1.00 0.00 H new ATOM 0 HA SER A 19 11.988 6.866 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.981 8.266 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.289 6.559 1.507 1.00 0.00 H new ATOM 0 HG SER A 19 14.247 7.792 1.650 1.00 0.00 H new ATOM 226 N ALA A 20 9.780 5.955 -0.244 1.00 0.00 N ATOM 227 CA ALA A 20 8.426 5.465 -0.020 1.00 0.00 C ATOM 228 C ALA A 20 7.933 5.834 1.376 1.00 0.00 C ATOM 229 O ALA A 20 8.714 6.006 2.311 1.00 0.00 O ATOM 230 CB ALA A 20 8.370 3.958 -0.220 1.00 0.00 C ATOM 0 H ALA A 20 10.423 5.260 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 20 7.769 5.941 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.353 3.606 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.672 3.715 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.045 3.472 0.485 1.00 0.00 H new ATOM 236 N PRO A 21 6.605 5.960 1.521 1.00 0.00 N ATOM 237 CA PRO A 21 5.979 6.310 2.799 1.00 0.00 C ATOM 238 C PRO A 21 6.082 5.185 3.823 1.00 0.00 C ATOM 239 O PRO A 21 6.462 4.062 3.489 1.00 0.00 O ATOM 240 CB PRO A 21 4.516 6.556 2.421 1.00 0.00 C ATOM 241 CG PRO A 21 4.303 5.751 1.185 1.00 0.00 C ATOM 242 CD PRO A 21 5.614 5.770 0.449 1.00 0.00 C ATOM 0 HA PRO A 21 6.463 7.166 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.843 6.242 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.326 7.614 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.007 4.731 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.506 6.176 0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.783 4.840 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.653 6.578 -0.282 1.00 0.00 H new ATOM 250 N ARG A 22 5.743 5.493 5.070 1.00 0.00 N ATOM 251 CA ARG A 22 5.799 4.508 6.143 1.00 0.00 C ATOM 252 C ARG A 22 4.421 4.304 6.767 1.00 0.00 C ATOM 253 O ARG A 22 3.440 4.917 6.344 1.00 0.00 O ATOM 254 CB ARG A 22 6.796 4.947 7.216 1.00 0.00 C ATOM 255 CG ARG A 22 8.127 5.420 6.654 1.00 0.00 C ATOM 256 CD ARG A 22 8.874 6.292 7.651 1.00 0.00 C ATOM 257 NE ARG A 22 8.326 7.644 7.713 1.00 0.00 N ATOM 258 CZ ARG A 22 8.630 8.517 8.667 1.00 0.00 C ATOM 259 NH1 ARG A 22 9.474 8.181 9.633 1.00 0.00 N ATOM 260 NH2 ARG A 22 8.090 9.729 8.656 1.00 0.00 N ATOM 0 H ARG A 22 5.426 6.417 5.362 1.00 0.00 H new ATOM 0 HA ARG A 22 6.129 3.561 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.353 5.751 7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.974 4.115 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.740 4.557 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.957 5.980 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.826 5.835 8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.927 6.340 7.373 1.00 0.00 H new ATOM 0 HE ARG A 22 7.674 7.934 6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.891 7.250 9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.706 8.853 10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.441 9.991 7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.324 10.398 9.389 1.00 0.00 H new ATOM 274 N ASP A 23 4.355 3.440 7.773 1.00 0.00 N ATOM 275 CA ASP A 23 3.098 3.156 8.456 1.00 0.00 C ATOM 276 C ASP A 23 2.011 2.775 7.456 1.00 0.00 C ATOM 277 O ASP A 23 0.855 3.175 7.597 1.00 0.00 O ATOM 278 CB ASP A 23 2.653 4.368 9.276 1.00 0.00 C ATOM 279 CG ASP A 23 1.564 4.024 10.273 1.00 0.00 C ATOM 280 OD1 ASP A 23 0.397 3.879 9.852 1.00 0.00 O ATOM 281 OD2 ASP A 23 1.879 3.899 11.475 1.00 0.00 O ATOM 0 H ASP A 23 5.157 2.924 8.134 1.00 0.00 H new ATOM 0 HA ASP A 23 3.260 2.313 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.512 4.779 9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.293 5.146 8.603 1.00 0.00 H new ATOM 286 N VAL A 24 2.389 2.000 6.445 1.00 0.00 N ATOM 287 CA VAL A 24 1.447 1.565 5.421 1.00 0.00 C ATOM 288 C VAL A 24 0.484 0.518 5.969 1.00 0.00 C ATOM 289 O VAL A 24 0.846 -0.647 6.135 1.00 0.00 O ATOM 290 CB VAL A 24 2.178 0.983 4.196 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.181 0.397 3.208 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.036 2.049 3.532 1.00 0.00 C ATOM 0 H VAL A 24 3.342 1.660 6.313 1.00 0.00 H new ATOM 0 HA VAL A 24 0.884 2.447 5.114 1.00 0.00 H new ATOM 0 HB VAL A 24 2.833 0.180 4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.716 -0.009 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.614 -0.398 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.498 1.178 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.545 1.621 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.403 2.875 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.775 2.416 4.244 1.00 0.00 H new ATOM 302 N VAL A 25 -0.744 0.941 6.249 1.00 0.00 N ATOM 303 CA VAL A 25 -1.761 0.039 6.778 1.00 0.00 C ATOM 304 C VAL A 25 -3.111 0.281 6.111 1.00 0.00 C ATOM 305 O VAL A 25 -3.345 1.339 5.527 1.00 0.00 O ATOM 306 CB VAL A 25 -1.917 0.201 8.302 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.586 -0.026 9.002 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.478 1.575 8.636 1.00 0.00 C ATOM 0 H VAL A 25 -1.059 1.902 6.119 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.428 -0.976 6.560 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.621 -0.550 8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.716 0.093 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.230 -1.034 8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.143 0.700 8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.582 1.673 9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.801 2.344 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.454 1.694 8.165 1.00 0.00 H new ATOM 318 N ALA A 26 -3.996 -0.706 6.204 1.00 0.00 N ATOM 319 CA ALA A 26 -5.323 -0.599 5.612 1.00 0.00 C ATOM 320 C ALA A 26 -6.352 -0.158 6.647 1.00 0.00 C ATOM 321 O ALA A 26 -6.798 -0.956 7.472 1.00 0.00 O ATOM 322 CB ALA A 26 -5.732 -1.926 4.990 1.00 0.00 C ATOM 0 H ALA A 26 -3.818 -1.588 6.684 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.285 0.160 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.725 -1.831 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.017 -2.200 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.747 -2.699 5.758 1.00 0.00 H new ATOM 328 N SER A 27 -6.725 1.117 6.599 1.00 0.00 N ATOM 329 CA SER A 27 -7.698 1.665 7.536 1.00 0.00 C ATOM 330 C SER A 27 -8.978 0.834 7.538 1.00 0.00 C ATOM 331 O SER A 27 -9.723 0.822 8.519 1.00 0.00 O ATOM 332 CB SER A 27 -8.021 3.117 7.178 1.00 0.00 C ATOM 333 OG SER A 27 -9.268 3.511 7.722 1.00 0.00 O ATOM 0 H SER A 27 -6.368 1.790 5.921 1.00 0.00 H new ATOM 0 HA SER A 27 -7.262 1.632 8.534 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.234 3.771 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.041 3.232 6.094 1.00 0.00 H new ATOM 0 HG SER A 27 -9.451 4.443 7.480 1.00 0.00 H new ATOM 339 N LEU A 28 -9.226 0.139 6.433 1.00 0.00 N ATOM 340 CA LEU A 28 -10.416 -0.696 6.306 1.00 0.00 C ATOM 341 C LEU A 28 -10.287 -1.650 5.123 1.00 0.00 C ATOM 342 O LEU A 28 -9.592 -1.358 4.149 1.00 0.00 O ATOM 343 CB LEU A 28 -11.661 0.177 6.139 1.00 0.00 C ATOM 344 CG LEU A 28 -12.864 -0.490 5.473 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.143 0.264 5.802 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.663 -0.572 3.967 1.00 0.00 C ATOM 0 H LEU A 28 -8.620 0.137 5.613 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.514 -1.287 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.966 0.531 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.388 1.056 5.554 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.954 -1.504 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.989 -0.226 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.295 0.269 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.064 1.290 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.529 -1.050 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.546 0.432 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.770 -1.158 3.751 1.00 0.00 H new ATOM 358 N VAL A 29 -10.963 -2.791 5.213 1.00 0.00 N ATOM 359 CA VAL A 29 -10.928 -3.787 4.149 1.00 0.00 C ATOM 360 C VAL A 29 -12.335 -4.158 3.696 1.00 0.00 C ATOM 361 O VAL A 29 -13.040 -4.905 4.376 1.00 0.00 O ATOM 362 CB VAL A 29 -10.191 -5.062 4.598 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.388 -6.178 3.584 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.712 -4.777 4.809 1.00 0.00 C ATOM 0 H VAL A 29 -11.542 -3.048 6.012 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.388 -3.339 3.315 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.613 -5.389 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.860 -7.071 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.451 -6.399 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.995 -5.865 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.207 -5.690 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.273 -4.425 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.595 -4.012 5.577 1.00 0.00 H new ATOM 374 N SER A 30 -12.739 -3.633 2.544 1.00 0.00 N ATOM 375 CA SER A 30 -14.064 -3.907 2.002 1.00 0.00 C ATOM 376 C SER A 30 -14.044 -5.151 1.119 1.00 0.00 C ATOM 377 O SER A 30 -12.981 -5.616 0.704 1.00 0.00 O ATOM 378 CB SER A 30 -14.568 -2.706 1.198 1.00 0.00 C ATOM 379 OG SER A 30 -15.634 -3.077 0.342 1.00 0.00 O ATOM 0 H SER A 30 -12.167 -3.015 1.968 1.00 0.00 H new ATOM 0 HA SER A 30 -14.741 -4.086 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.900 -1.922 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.751 -2.291 0.608 1.00 0.00 H new ATOM 0 HG SER A 30 -15.772 -2.378 -0.330 1.00 0.00 H new ATOM 385 N THR A 31 -15.227 -5.688 0.835 1.00 0.00 N ATOM 386 CA THR A 31 -15.346 -6.878 0.003 1.00 0.00 C ATOM 387 C THR A 31 -15.136 -6.544 -1.469 1.00 0.00 C ATOM 388 O THR A 31 -14.785 -7.412 -2.268 1.00 0.00 O ATOM 389 CB THR A 31 -16.723 -7.547 0.174 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.763 -6.622 -0.162 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.914 -8.035 1.603 1.00 0.00 C ATOM 0 H THR A 31 -16.116 -5.317 1.170 1.00 0.00 H new ATOM 0 HA THR A 31 -14.570 -7.570 0.330 1.00 0.00 H new ATOM 0 HB THR A 31 -16.771 -8.405 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.635 -7.056 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.893 -8.504 1.700 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.138 -8.761 1.846 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.847 -7.190 2.288 1.00 0.00 H new ATOM 399 N ARG A 32 -15.353 -5.281 -1.821 1.00 0.00 N ATOM 400 CA ARG A 32 -15.187 -4.832 -3.198 1.00 0.00 C ATOM 401 C ARG A 32 -14.050 -3.821 -3.307 1.00 0.00 C ATOM 402 O ARG A 32 -13.702 -3.378 -4.402 1.00 0.00 O ATOM 403 CB ARG A 32 -16.487 -4.212 -3.715 1.00 0.00 C ATOM 404 CG ARG A 32 -17.640 -5.198 -3.800 1.00 0.00 C ATOM 405 CD ARG A 32 -18.882 -4.552 -4.394 1.00 0.00 C ATOM 406 NE ARG A 32 -19.643 -3.808 -3.393 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.807 -3.218 -3.644 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.340 -3.286 -4.856 1.00 0.00 N ATOM 409 NH2 ARG A 32 -21.439 -2.560 -2.682 1.00 0.00 N ATOM 0 H ARG A 32 -15.644 -4.550 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.938 -5.700 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.772 -3.388 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.309 -3.788 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.346 -6.052 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.868 -5.580 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.591 -3.880 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.516 -5.322 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.260 -3.738 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.857 -3.792 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.234 -2.832 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.032 -2.506 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.332 -2.107 -2.876 1.00 0.00 H new ATOM 423 N PHE A 33 -13.475 -3.458 -2.165 1.00 0.00 N ATOM 424 CA PHE A 33 -12.378 -2.498 -2.132 1.00 0.00 C ATOM 425 C PHE A 33 -11.613 -2.591 -0.815 1.00 0.00 C ATOM 426 O PHE A 33 -11.941 -3.405 0.049 1.00 0.00 O ATOM 427 CB PHE A 33 -12.910 -1.077 -2.327 1.00 0.00 C ATOM 428 CG PHE A 33 -13.446 -0.460 -1.066 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.599 0.197 -0.187 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.795 -0.536 -0.761 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.089 0.766 0.973 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.290 0.032 0.398 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.436 0.683 1.267 1.00 0.00 C ATOM 0 H PHE A 33 -13.751 -3.814 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.694 -2.737 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.110 -0.448 -2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.699 -1.093 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.545 0.265 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.467 -1.045 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.419 1.275 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.344 -0.033 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.821 1.126 2.174 1.00 0.00 H new ATOM 443 N ILE A 34 -10.593 -1.753 -0.670 1.00 0.00 N ATOM 444 CA ILE A 34 -9.781 -1.740 0.541 1.00 0.00 C ATOM 445 C ILE A 34 -9.251 -0.340 0.832 1.00 0.00 C ATOM 446 O ILE A 34 -8.630 0.291 -0.024 1.00 0.00 O ATOM 447 CB ILE A 34 -8.594 -2.715 0.434 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.089 -4.118 0.075 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.811 -2.741 1.737 1.00 0.00 C ATOM 450 CD1 ILE A 34 -7.979 -5.070 -0.310 1.00 0.00 C ATOM 0 H ILE A 34 -10.309 -1.074 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.428 -2.058 1.358 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.930 -2.370 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.633 -4.531 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.797 -4.045 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.975 -3.435 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.432 -1.742 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.464 -3.065 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.403 -6.045 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.450 -4.679 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.283 -5.173 0.523 1.00 0.00 H new ATOM 462 N LYS A 35 -9.498 0.140 2.046 1.00 0.00 N ATOM 463 CA LYS A 35 -9.042 1.463 2.453 1.00 0.00 C ATOM 464 C LYS A 35 -7.594 1.418 2.931 1.00 0.00 C ATOM 465 O LYS A 35 -7.248 0.641 3.822 1.00 0.00 O ATOM 466 CB LYS A 35 -9.940 2.015 3.563 1.00 0.00 C ATOM 467 CG LYS A 35 -9.713 3.488 3.853 1.00 0.00 C ATOM 468 CD LYS A 35 -10.353 4.370 2.795 1.00 0.00 C ATOM 469 CE LYS A 35 -9.749 5.767 2.793 1.00 0.00 C ATOM 470 NZ LYS A 35 -10.310 6.614 3.882 1.00 0.00 N ATOM 0 H LYS A 35 -10.012 -0.368 2.766 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.099 2.121 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.983 1.865 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.769 1.443 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.125 3.735 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.643 3.690 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.223 3.915 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.426 4.437 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.668 5.696 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.936 6.242 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.874 7.558 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.339 6.703 3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.110 6.173 4.803 1.00 0.00 H new ATOM 484 N LEU A 36 -6.753 2.255 2.335 1.00 0.00 N ATOM 485 CA LEU A 36 -5.342 2.311 2.701 1.00 0.00 C ATOM 486 C LEU A 36 -5.026 3.599 3.454 1.00 0.00 C ATOM 487 O LEU A 36 -5.708 4.611 3.289 1.00 0.00 O ATOM 488 CB LEU A 36 -4.466 2.209 1.451 1.00 0.00 C ATOM 489 CG LEU A 36 -4.045 0.798 1.040 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.103 0.199 2.073 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.267 -0.090 0.852 1.00 0.00 C ATOM 0 H LEU A 36 -7.023 2.904 1.596 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.128 1.467 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.002 2.664 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.566 2.802 1.613 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.516 0.861 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.814 -0.805 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.213 0.822 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.606 0.150 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.948 -1.090 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.824 -0.145 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.905 0.329 0.074 1.00 0.00 H new ATOM 503 N THR A 37 -3.984 3.556 4.279 1.00 0.00 N ATOM 504 CA THR A 37 -3.577 4.720 5.057 1.00 0.00 C ATOM 505 C THR A 37 -2.109 4.626 5.457 1.00 0.00 C ATOM 506 O THR A 37 -1.678 3.635 6.046 1.00 0.00 O ATOM 507 CB THR A 37 -4.434 4.876 6.326 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.629 3.600 6.946 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.784 5.496 5.995 1.00 0.00 C ATOM 0 H THR A 37 -3.407 2.728 4.426 1.00 0.00 H new ATOM 0 HA THR A 37 -3.723 5.593 4.421 1.00 0.00 H new ATOM 0 HB THR A 37 -3.907 5.537 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.052 2.935 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.372 5.596 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.633 6.480 5.550 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.315 4.857 5.290 1.00 0.00 H new ATOM 517 N TRP A 38 -1.346 5.664 5.134 1.00 0.00 N ATOM 518 CA TRP A 38 0.075 5.699 5.462 1.00 0.00 C ATOM 519 C TRP A 38 0.499 7.096 5.899 1.00 0.00 C ATOM 520 O TRP A 38 -0.251 8.060 5.742 1.00 0.00 O ATOM 521 CB TRP A 38 0.908 5.253 4.259 1.00 0.00 C ATOM 522 CG TRP A 38 0.668 6.079 3.031 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.274 7.258 2.705 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.246 5.788 1.968 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.793 7.718 1.503 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.140 6.833 1.030 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.141 4.745 1.716 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.897 6.865 -0.138 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.892 4.777 0.556 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.766 5.831 -0.359 1.00 0.00 C ATOM 0 H TRP A 38 -1.687 6.492 4.646 1.00 0.00 H new ATOM 0 HA TRP A 38 0.248 5.012 6.290 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.965 5.302 4.520 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.682 4.210 4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.022 7.756 3.304 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.083 8.578 1.038 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.244 3.928 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.802 7.677 -0.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.587 3.976 0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.367 5.827 -1.257 1.00 0.00 H new ATOM 541 N ARG A 39 1.706 7.200 6.447 1.00 0.00 N ATOM 542 CA ARG A 39 2.228 8.481 6.908 1.00 0.00 C ATOM 543 C ARG A 39 3.196 9.072 5.887 1.00 0.00 C ATOM 544 O ARG A 39 3.454 8.475 4.841 1.00 0.00 O ATOM 545 CB ARG A 39 2.932 8.313 8.256 1.00 0.00 C ATOM 546 CG ARG A 39 2.000 7.897 9.382 1.00 0.00 C ATOM 547 CD ARG A 39 2.730 7.836 10.715 1.00 0.00 C ATOM 548 NE ARG A 39 3.858 6.909 10.680 1.00 0.00 N ATOM 549 CZ ARG A 39 4.520 6.516 11.762 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.168 6.966 12.959 1.00 0.00 N ATOM 551 NH2 ARG A 39 5.536 5.670 11.649 1.00 0.00 N ATOM 0 H ARG A 39 2.340 6.413 6.582 1.00 0.00 H new ATOM 0 HA ARG A 39 1.389 9.166 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.720 7.567 8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.415 9.253 8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.173 8.603 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.568 6.922 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.087 8.832 10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.034 7.530 11.496 1.00 0.00 H new ATOM 0 HE ARG A 39 4.154 6.543 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.387 7.616 13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.678 6.662 13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.809 5.321 10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.044 5.369 12.481 1.00 0.00 H new ATOM 565 N THR A 40 3.728 10.250 6.196 1.00 0.00 N ATOM 566 CA THR A 40 4.665 10.924 5.306 1.00 0.00 C ATOM 567 C THR A 40 6.028 10.241 5.324 1.00 0.00 C ATOM 568 O THR A 40 6.489 9.749 6.354 1.00 0.00 O ATOM 569 CB THR A 40 4.840 12.405 5.691 1.00 0.00 C ATOM 570 OG1 THR A 40 4.750 12.555 7.112 1.00 0.00 O ATOM 571 CG2 THR A 40 3.784 13.268 5.017 1.00 0.00 C ATOM 0 H THR A 40 3.526 10.758 7.057 1.00 0.00 H new ATOM 0 HA THR A 40 4.245 10.865 4.302 1.00 0.00 H new ATOM 0 HB THR A 40 5.823 12.732 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.897 13.494 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.928 14.310 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.874 13.174 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.792 12.940 5.329 1.00 0.00 H new ATOM 579 N PRO A 41 6.689 10.209 4.158 1.00 0.00 N ATOM 580 CA PRO A 41 8.010 9.589 4.014 1.00 0.00 C ATOM 581 C PRO A 41 9.102 10.382 4.724 1.00 0.00 C ATOM 582 O PRO A 41 8.973 11.589 4.929 1.00 0.00 O ATOM 583 CB PRO A 41 8.243 9.596 2.501 1.00 0.00 C ATOM 584 CG PRO A 41 7.407 10.720 1.995 1.00 0.00 C ATOM 585 CD PRO A 41 6.200 10.775 2.890 1.00 0.00 C ATOM 0 HA PRO A 41 8.044 8.595 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.296 9.747 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.947 8.649 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.958 11.660 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.116 10.554 0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.841 11.796 3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.372 10.194 2.484 1.00 0.00 H new ATOM 593 N ALA A 42 10.178 9.696 5.097 1.00 0.00 N ATOM 594 CA ALA A 42 11.293 10.337 5.782 1.00 0.00 C ATOM 595 C ALA A 42 11.831 11.513 4.974 1.00 0.00 C ATOM 596 O ALA A 42 12.176 12.555 5.531 1.00 0.00 O ATOM 597 CB ALA A 42 12.400 9.327 6.049 1.00 0.00 C ATOM 0 H ALA A 42 10.300 8.696 4.936 1.00 0.00 H new ATOM 0 HA ALA A 42 10.929 10.721 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.226 9.820 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.015 8.521 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.753 8.915 5.103 1.00 0.00 H new ATOM 603 N SER A 43 11.902 11.338 3.658 1.00 0.00 N ATOM 604 CA SER A 43 12.402 12.383 2.774 1.00 0.00 C ATOM 605 C SER A 43 11.460 13.583 2.762 1.00 0.00 C ATOM 606 O SER A 43 11.901 14.732 2.756 1.00 0.00 O ATOM 607 CB SER A 43 12.572 11.840 1.353 1.00 0.00 C ATOM 608 OG SER A 43 11.328 11.783 0.677 1.00 0.00 O ATOM 0 H SER A 43 11.619 10.482 3.181 1.00 0.00 H new ATOM 0 HA SER A 43 13.372 12.709 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.262 12.475 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.015 10.845 1.391 1.00 0.00 H new ATOM 0 HG SER A 43 11.412 12.213 -0.200 1.00 0.00 H new ATOM 614 N ASP A 44 10.161 13.306 2.760 1.00 0.00 N ATOM 615 CA ASP A 44 9.154 14.361 2.750 1.00 0.00 C ATOM 616 C ASP A 44 8.165 14.179 3.897 1.00 0.00 C ATOM 617 O ASP A 44 7.193 13.431 3.798 1.00 0.00 O ATOM 618 CB ASP A 44 8.409 14.373 1.415 1.00 0.00 C ATOM 619 CG ASP A 44 9.153 15.145 0.343 1.00 0.00 C ATOM 620 OD1 ASP A 44 9.085 16.392 0.355 1.00 0.00 O ATOM 621 OD2 ASP A 44 9.803 14.503 -0.508 1.00 0.00 O ATOM 0 H ASP A 44 9.780 12.360 2.765 1.00 0.00 H new ATOM 0 HA ASP A 44 9.663 15.316 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.255 13.348 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.422 14.814 1.557 1.00 0.00 H new ATOM 626 N PRO A 45 8.418 14.879 5.014 1.00 0.00 N ATOM 627 CA PRO A 45 7.561 14.810 6.201 1.00 0.00 C ATOM 628 C PRO A 45 6.205 15.471 5.977 1.00 0.00 C ATOM 629 O PRO A 45 5.324 15.410 6.836 1.00 0.00 O ATOM 630 CB PRO A 45 8.360 15.575 7.259 1.00 0.00 C ATOM 631 CG PRO A 45 9.224 16.507 6.481 1.00 0.00 C ATOM 632 CD PRO A 45 9.559 15.790 5.202 1.00 0.00 C ATOM 0 HA PRO A 45 7.333 13.781 6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.701 16.118 7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.957 14.898 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.705 17.444 6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.128 16.757 7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.661 16.483 4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.500 15.245 5.281 1.00 0.00 H new ATOM 640 N HIS A 46 6.044 16.102 4.818 1.00 0.00 N ATOM 641 CA HIS A 46 4.794 16.773 4.481 1.00 0.00 C ATOM 642 C HIS A 46 4.186 16.184 3.211 1.00 0.00 C ATOM 643 O HIS A 46 2.974 16.239 3.008 1.00 0.00 O ATOM 644 CB HIS A 46 5.028 18.273 4.300 1.00 0.00 C ATOM 645 CG HIS A 46 4.969 19.047 5.581 1.00 0.00 C ATOM 646 ND1 HIS A 46 3.785 19.440 6.168 1.00 0.00 N ATOM 647 CD2 HIS A 46 5.956 19.500 6.388 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.047 20.103 7.281 1.00 0.00 C ATOM 649 NE2 HIS A 46 5.357 20.152 7.437 1.00 0.00 N ATOM 0 H HIS A 46 6.763 16.163 4.097 1.00 0.00 H new ATOM 0 HA HIS A 46 4.095 16.619 5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.002 18.427 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.281 18.668 3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.018 19.372 6.235 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.314 20.532 7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.845 20.602 8.212 1.00 0.00 H new ATOM 658 N GLY A 47 5.038 15.622 2.359 1.00 0.00 N ATOM 659 CA GLY A 47 4.567 15.032 1.119 1.00 0.00 C ATOM 660 C GLY A 47 3.368 15.764 0.548 1.00 0.00 C ATOM 661 O GLY A 47 2.470 15.146 -0.024 1.00 0.00 O ATOM 0 H GLY A 47 6.046 15.565 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.375 15.038 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.303 13.989 1.294 1.00 0.00 H new ATOM 665 N ASP A 48 3.353 17.083 0.705 1.00 0.00 N ATOM 666 CA ASP A 48 2.255 17.900 0.201 1.00 0.00 C ATOM 667 C ASP A 48 2.514 18.329 -1.240 1.00 0.00 C ATOM 668 O ASP A 48 1.599 18.750 -1.946 1.00 0.00 O ATOM 669 CB ASP A 48 2.060 19.132 1.086 1.00 0.00 C ATOM 670 CG ASP A 48 0.770 19.867 0.779 1.00 0.00 C ATOM 671 OD1 ASP A 48 0.733 20.605 -0.228 1.00 0.00 O ATOM 672 OD2 ASP A 48 -0.203 19.705 1.546 1.00 0.00 O ATOM 0 H ASP A 48 4.088 17.609 1.177 1.00 0.00 H new ATOM 0 HA ASP A 48 1.346 17.298 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.061 18.828 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.902 19.810 0.950 1.00 0.00 H new ATOM 677 N ASN A 49 3.767 18.221 -1.668 1.00 0.00 N ATOM 678 CA ASN A 49 4.147 18.599 -3.024 1.00 0.00 C ATOM 679 C ASN A 49 4.484 17.367 -3.859 1.00 0.00 C ATOM 680 O ASN A 49 5.184 17.460 -4.868 1.00 0.00 O ATOM 681 CB ASN A 49 5.344 19.551 -2.994 1.00 0.00 C ATOM 682 CG ASN A 49 6.260 19.292 -1.813 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.610 20.210 -1.071 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.652 18.036 -1.633 1.00 0.00 N ATOM 0 H ASN A 49 4.537 17.875 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 49 3.299 19.106 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.911 19.447 -3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.986 20.580 -2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.268 17.801 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.337 17.307 -2.273 1.00 0.00 H new ATOM 691 N LEU A 50 3.982 16.214 -3.431 1.00 0.00 N ATOM 692 CA LEU A 50 4.228 14.963 -4.139 1.00 0.00 C ATOM 693 C LEU A 50 3.028 14.028 -4.027 1.00 0.00 C ATOM 694 O LEU A 50 2.459 13.856 -2.948 1.00 0.00 O ATOM 695 CB LEU A 50 5.477 14.277 -3.582 1.00 0.00 C ATOM 696 CG LEU A 50 5.710 14.425 -2.078 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.956 13.350 -1.312 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.197 14.365 -1.761 1.00 0.00 C ATOM 0 H LEU A 50 3.402 16.120 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 50 4.387 15.195 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.419 13.214 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.348 14.672 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 50 5.331 15.398 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.134 13.472 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.889 13.440 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.304 12.366 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.345 14.472 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.601 13.407 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.713 15.173 -2.280 1.00 0.00 H new ATOM 710 N THR A 51 2.647 13.425 -5.148 1.00 0.00 N ATOM 711 CA THR A 51 1.515 12.507 -5.176 1.00 0.00 C ATOM 712 C THR A 51 1.941 11.097 -4.784 1.00 0.00 C ATOM 713 O THR A 51 3.114 10.739 -4.896 1.00 0.00 O ATOM 714 CB THR A 51 0.861 12.464 -6.570 1.00 0.00 C ATOM 715 OG1 THR A 51 1.043 13.720 -7.235 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.624 12.152 -6.462 1.00 0.00 C ATOM 0 H THR A 51 3.106 13.556 -6.049 1.00 0.00 H new ATOM 0 HA THR A 51 0.789 12.879 -4.453 1.00 0.00 H new ATOM 0 HB THR A 51 1.341 11.674 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.626 13.684 -8.121 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.064 12.127 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.758 11.183 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.115 12.922 -5.868 1.00 0.00 H new ATOM 724 N TYR A 52 0.982 10.301 -4.325 1.00 0.00 N ATOM 725 CA TYR A 52 1.259 8.930 -3.914 1.00 0.00 C ATOM 726 C TYR A 52 0.572 7.933 -4.843 1.00 0.00 C ATOM 727 O TYR A 52 -0.592 8.105 -5.204 1.00 0.00 O ATOM 728 CB TYR A 52 0.796 8.703 -2.474 1.00 0.00 C ATOM 729 CG TYR A 52 1.534 9.549 -1.460 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.877 9.323 -1.184 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.888 10.573 -0.779 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.555 10.093 -0.259 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.559 11.349 0.147 1.00 0.00 C ATOM 734 CZ TYR A 52 2.892 11.105 0.404 1.00 0.00 C ATOM 735 OH TYR A 52 3.563 11.874 1.326 1.00 0.00 O ATOM 0 H TYR A 52 0.006 10.581 -4.228 1.00 0.00 H new ATOM 0 HA TYR A 52 2.336 8.772 -3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.271 8.917 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.927 7.651 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.400 8.532 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.156 10.766 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.599 9.904 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.042 12.142 0.667 1.00 0.00 H new ATOM 0 HH TYR A 52 4.519 11.880 1.113 1.00 0.00 H new ATOM 745 N SER A 53 1.302 6.891 -5.226 1.00 0.00 N ATOM 746 CA SER A 53 0.766 5.867 -6.115 1.00 0.00 C ATOM 747 C SER A 53 0.563 4.552 -5.370 1.00 0.00 C ATOM 748 O SER A 53 1.444 4.096 -4.641 1.00 0.00 O ATOM 749 CB SER A 53 1.704 5.653 -7.305 1.00 0.00 C ATOM 750 OG SER A 53 1.419 6.568 -8.350 1.00 0.00 O ATOM 0 H SER A 53 2.267 6.733 -4.935 1.00 0.00 H new ATOM 0 HA SER A 53 -0.202 6.210 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.738 5.774 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.602 4.632 -7.673 1.00 0.00 H new ATOM 0 HG SER A 53 1.682 7.471 -8.075 1.00 0.00 H new ATOM 756 N VAL A 54 -0.605 3.946 -5.559 1.00 0.00 N ATOM 757 CA VAL A 54 -0.925 2.682 -4.906 1.00 0.00 C ATOM 758 C VAL A 54 -1.065 1.557 -5.926 1.00 0.00 C ATOM 759 O VAL A 54 -1.992 1.550 -6.735 1.00 0.00 O ATOM 760 CB VAL A 54 -2.227 2.786 -4.090 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.571 1.445 -3.460 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.106 3.868 -3.028 1.00 0.00 C ATOM 0 H VAL A 54 -1.345 4.310 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.099 2.456 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.037 3.062 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.494 1.538 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.703 0.698 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.763 1.136 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.035 3.927 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.285 3.626 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.911 4.828 -3.507 1.00 0.00 H new ATOM 772 N PHE A 55 -0.137 0.607 -5.880 1.00 0.00 N ATOM 773 CA PHE A 55 -0.156 -0.524 -6.801 1.00 0.00 C ATOM 774 C PHE A 55 -0.712 -1.771 -6.119 1.00 0.00 C ATOM 775 O PHE A 55 -0.181 -2.227 -5.106 1.00 0.00 O ATOM 776 CB PHE A 55 1.253 -0.803 -7.328 1.00 0.00 C ATOM 777 CG PHE A 55 1.914 0.399 -7.938 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.615 1.296 -7.148 1.00 0.00 C ATOM 779 CD2 PHE A 55 1.833 0.634 -9.301 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.225 2.404 -7.706 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.441 1.740 -9.865 1.00 0.00 C ATOM 782 CZ PHE A 55 3.137 2.626 -9.066 1.00 0.00 C ATOM 0 H PHE A 55 0.637 0.597 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.806 -0.268 -7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.872 -1.172 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.203 -1.597 -8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.686 1.127 -6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.289 -0.055 -9.930 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.769 3.095 -7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.372 1.911 -10.929 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.612 3.491 -9.504 1.00 0.00 H new ATOM 792 N TYR A 56 -1.785 -2.316 -6.681 1.00 0.00 N ATOM 793 CA TYR A 56 -2.416 -3.508 -6.126 1.00 0.00 C ATOM 794 C TYR A 56 -2.460 -4.631 -7.158 1.00 0.00 C ATOM 795 O TYR A 56 -2.652 -4.390 -8.350 1.00 0.00 O ATOM 796 CB TYR A 56 -3.833 -3.185 -5.648 1.00 0.00 C ATOM 797 CG TYR A 56 -4.665 -2.449 -6.673 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.598 -1.066 -6.788 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.520 -3.136 -7.526 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.357 -0.389 -7.723 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.281 -2.468 -8.465 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.197 -1.094 -8.559 1.00 0.00 C ATOM 803 OH TYR A 56 -6.955 -0.425 -9.492 1.00 0.00 O ATOM 0 H TYR A 56 -2.236 -1.952 -7.520 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.820 -3.842 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.338 -4.114 -5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.773 -2.583 -4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.941 -0.511 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.591 -4.211 -7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.293 0.686 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.938 -3.018 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.491 -1.069 -10.001 1.00 0.00 H new ATOM 813 N THR A 57 -2.281 -5.863 -6.690 1.00 0.00 N ATOM 814 CA THR A 57 -2.299 -7.025 -7.569 1.00 0.00 C ATOM 815 C THR A 57 -2.578 -8.303 -6.787 1.00 0.00 C ATOM 816 O THR A 57 -2.427 -8.341 -5.565 1.00 0.00 O ATOM 817 CB THR A 57 -0.964 -7.179 -8.323 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.841 -8.512 -8.832 1.00 0.00 O ATOM 819 CG2 THR A 57 0.212 -6.868 -7.410 1.00 0.00 C ATOM 0 H THR A 57 -2.122 -6.081 -5.706 1.00 0.00 H new ATOM 0 HA THR A 57 -3.100 -6.863 -8.291 1.00 0.00 H new ATOM 0 HB THR A 57 -0.956 -6.472 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.009 -8.602 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.143 -6.983 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.130 -5.843 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.206 -7.554 -6.563 1.00 0.00 H new ATOM 827 N LYS A 58 -2.985 -9.349 -7.497 1.00 0.00 N ATOM 828 CA LYS A 58 -3.284 -10.631 -6.870 1.00 0.00 C ATOM 829 C LYS A 58 -2.001 -11.381 -6.527 1.00 0.00 C ATOM 830 O LYS A 58 -1.146 -11.589 -7.386 1.00 0.00 O ATOM 831 CB LYS A 58 -4.154 -11.484 -7.795 1.00 0.00 C ATOM 832 CG LYS A 58 -5.014 -12.497 -7.059 1.00 0.00 C ATOM 833 CD LYS A 58 -6.308 -12.778 -7.805 1.00 0.00 C ATOM 834 CE LYS A 58 -6.148 -13.933 -8.781 1.00 0.00 C ATOM 835 NZ LYS A 58 -5.825 -15.208 -8.084 1.00 0.00 N ATOM 0 H LYS A 58 -3.116 -9.334 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.829 -10.437 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.800 -10.828 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.511 -12.010 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.457 -13.425 -6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.242 -12.124 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.098 -13.010 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.619 -11.884 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.068 -14.055 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.358 -13.699 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.161 -16.010 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.796 -15.282 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.292 -15.224 -7.155 1.00 0.00 H new ATOM 924 N GLU A 64 -0.208 -5.396 -11.888 1.00 0.00 N ATOM 925 CA GLU A 64 -0.736 -4.497 -10.869 1.00 0.00 C ATOM 926 C GLU A 64 -1.103 -3.145 -11.473 1.00 0.00 C ATOM 927 O GLU A 64 -0.456 -2.676 -12.410 1.00 0.00 O ATOM 928 CB GLU A 64 0.286 -4.306 -9.747 1.00 0.00 C ATOM 929 CG GLU A 64 1.470 -3.441 -10.143 1.00 0.00 C ATOM 930 CD GLU A 64 2.185 -3.959 -11.376 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.844 -5.015 -11.281 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.084 -3.307 -12.437 1.00 0.00 O ATOM 0 HA GLU A 64 -1.638 -4.948 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.211 -3.856 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.651 -5.283 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.126 -2.423 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.174 -3.393 -9.312 1.00 0.00 H new ATOM 939 N ARG A 65 -2.146 -2.525 -10.931 1.00 0.00 N ATOM 940 CA ARG A 65 -2.601 -1.228 -11.418 1.00 0.00 C ATOM 941 C ARG A 65 -2.275 -0.126 -10.414 1.00 0.00 C ATOM 942 O ARG A 65 -2.337 -0.337 -9.202 1.00 0.00 O ATOM 943 CB ARG A 65 -4.107 -1.259 -11.685 1.00 0.00 C ATOM 944 CG ARG A 65 -4.498 -2.131 -12.867 1.00 0.00 C ATOM 945 CD ARG A 65 -5.866 -1.752 -13.411 1.00 0.00 C ATOM 946 NE ARG A 65 -6.939 -2.500 -12.762 1.00 0.00 N ATOM 947 CZ ARG A 65 -8.226 -2.340 -13.051 1.00 0.00 C ATOM 948 NH1 ARG A 65 -8.597 -1.464 -13.974 1.00 0.00 N ATOM 949 NH2 ARG A 65 -9.144 -3.059 -12.417 1.00 0.00 N ATOM 0 H ARG A 65 -2.692 -2.900 -10.155 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.078 -1.014 -12.350 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.618 -1.620 -10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.457 -0.242 -11.863 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.752 -2.033 -13.655 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.504 -3.178 -12.562 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.030 -0.684 -13.267 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.893 -1.937 -14.485 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.687 -3.183 -12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.894 -0.911 -14.464 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.586 -1.343 -14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.862 -3.735 -11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.132 -2.935 -12.639 1.00 0.00 H new ATOM 963 N VAL A 66 -1.925 1.050 -10.926 1.00 0.00 N ATOM 964 CA VAL A 66 -1.589 2.185 -10.075 1.00 0.00 C ATOM 965 C VAL A 66 -2.765 3.148 -9.954 1.00 0.00 C ATOM 966 O VAL A 66 -3.436 3.450 -10.940 1.00 0.00 O ATOM 967 CB VAL A 66 -0.367 2.950 -10.617 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.781 3.895 -11.735 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.326 3.709 -9.495 1.00 0.00 C ATOM 0 H VAL A 66 -1.867 1.241 -11.926 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.349 1.783 -9.091 1.00 0.00 H new ATOM 0 HB VAL A 66 0.339 2.228 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.096 4.427 -12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.229 3.323 -12.548 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.507 4.613 -11.354 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.187 4.244 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.371 4.422 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.659 3.006 -8.731 1.00 0.00 H new ATOM 979 N GLU A 67 -3.008 3.627 -8.738 1.00 0.00 N ATOM 980 CA GLU A 67 -4.104 4.556 -8.489 1.00 0.00 C ATOM 981 C GLU A 67 -3.601 5.814 -7.787 1.00 0.00 C ATOM 982 O GLU A 67 -3.270 5.787 -6.603 1.00 0.00 O ATOM 983 CB GLU A 67 -5.188 3.885 -7.642 1.00 0.00 C ATOM 984 CG GLU A 67 -6.581 4.439 -7.887 1.00 0.00 C ATOM 985 CD GLU A 67 -6.798 5.787 -7.226 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.108 6.074 -6.225 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.655 6.555 -7.710 1.00 0.00 O ATOM 0 H GLU A 67 -2.461 3.387 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.530 4.843 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.190 2.815 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.939 4.004 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.746 4.534 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.320 3.731 -7.512 1.00 0.00 H new ATOM 994 N ASN A 68 -3.548 6.916 -8.528 1.00 0.00 N ATOM 995 CA ASN A 68 -3.085 8.185 -7.978 1.00 0.00 C ATOM 996 C ASN A 68 -4.117 8.773 -7.021 1.00 0.00 C ATOM 997 O ASN A 68 -5.292 8.908 -7.364 1.00 0.00 O ATOM 998 CB ASN A 68 -2.795 9.178 -9.106 1.00 0.00 C ATOM 999 CG ASN A 68 -1.947 8.571 -10.207 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.719 8.548 -10.119 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -2.600 8.076 -11.252 1.00 0.00 N ATOM 0 H ASN A 68 -3.820 6.956 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.166 7.997 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.737 9.529 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.284 10.050 -8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.083 7.655 -12.024 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.619 8.117 -11.283 1.00 0.00 H new ATOM 1008 N THR A 69 -3.671 9.121 -5.818 1.00 0.00 N ATOM 1009 CA THR A 69 -4.555 9.694 -4.811 1.00 0.00 C ATOM 1010 C THR A 69 -5.351 10.863 -5.379 1.00 0.00 C ATOM 1011 O THR A 69 -4.780 11.814 -5.912 1.00 0.00 O ATOM 1012 CB THR A 69 -3.766 10.175 -3.579 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.826 11.185 -3.963 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.032 9.016 -2.920 1.00 0.00 C ATOM 0 H THR A 69 -2.702 9.016 -5.517 1.00 0.00 H new ATOM 0 HA THR A 69 -5.242 8.904 -4.507 1.00 0.00 H new ATOM 0 HB THR A 69 -4.473 10.591 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.967 11.987 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.482 9.380 -2.052 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.753 8.262 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.335 8.575 -3.632 1.00 0.00 H new ATOM 1022 N SER A 70 -6.672 10.786 -5.261 1.00 0.00 N ATOM 1023 CA SER A 70 -7.548 11.838 -5.766 1.00 0.00 C ATOM 1024 C SER A 70 -6.900 13.209 -5.601 1.00 0.00 C ATOM 1025 O SER A 70 -7.094 14.104 -6.425 1.00 0.00 O ATOM 1026 CB SER A 70 -8.892 11.806 -5.036 1.00 0.00 C ATOM 1027 OG SER A 70 -9.918 12.372 -5.833 1.00 0.00 O ATOM 0 H SER A 70 -7.160 10.006 -4.820 1.00 0.00 H new ATOM 0 HA SER A 70 -7.715 11.659 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.148 10.777 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.813 12.354 -4.097 1.00 0.00 H new ATOM 0 HG SER A 70 -10.767 12.338 -5.345 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.128 13.368 -4.530 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.450 14.630 -4.257 1.00 0.00 C ATOM 1035 C HIS A 71 -3.982 14.394 -3.911 1.00 0.00 C ATOM 1036 O HIS A 71 -3.620 13.402 -3.277 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.143 15.368 -3.112 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.605 15.597 -3.345 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.096 16.682 -4.040 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.685 14.870 -2.974 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.414 16.615 -4.083 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.797 15.525 -3.444 1.00 0.00 N ATOM 0 H HIS A 71 -5.957 12.639 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.499 15.243 -5.157 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.015 14.797 -2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.653 16.330 -2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.674 13.947 -2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.068 17.330 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.762 15.219 -3.320 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.116 15.326 -4.336 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.675 15.242 -4.082 1.00 0.00 C ATOM 1053 C PRO A 72 -1.332 15.453 -2.612 1.00 0.00 C ATOM 1054 O PRO A 72 -1.634 16.498 -2.037 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.098 16.375 -4.934 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.215 17.351 -5.073 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.478 16.534 -5.096 1.00 0.00 C ATOM 0 HA PRO A 72 -1.275 14.259 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.232 16.830 -4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.768 16.010 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.222 18.057 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.111 17.935 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.309 17.066 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.782 16.292 -6.114 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.697 14.453 -2.007 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.323 14.549 -0.608 1.00 0.00 C ATOM 1067 C GLY A 73 -1.356 13.930 0.312 1.00 0.00 C ATOM 1068 O GLY A 73 -1.482 14.328 1.470 1.00 0.00 O ATOM 0 H GLY A 73 -0.435 13.578 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.636 14.054 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.186 15.597 -0.343 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.097 12.955 -0.204 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.126 12.282 0.581 1.00 0.00 C ATOM 1074 C GLU A 74 -2.537 11.111 1.361 1.00 0.00 C ATOM 1075 O GLU A 74 -1.820 10.280 0.806 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.252 11.788 -0.331 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.611 11.748 0.347 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.755 11.945 -0.628 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.948 13.087 -1.094 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -7.458 10.956 -0.925 1.00 0.00 O ATOM 0 H GLU A 74 -2.005 12.614 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.533 13.001 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.311 12.436 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.005 10.789 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.732 10.791 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.654 12.522 1.113 1.00 0.00 H new ATOM 1087 N MET A 75 -2.844 11.054 2.653 1.00 0.00 N ATOM 1088 CA MET A 75 -2.346 9.985 3.510 1.00 0.00 C ATOM 1089 C MET A 75 -3.352 8.841 3.594 1.00 0.00 C ATOM 1090 O MET A 75 -3.397 8.115 4.587 1.00 0.00 O ATOM 1091 CB MET A 75 -2.049 10.522 4.911 1.00 0.00 C ATOM 1092 CG MET A 75 -1.010 11.632 4.929 1.00 0.00 C ATOM 1093 SD MET A 75 0.675 11.005 5.068 1.00 0.00 S ATOM 1094 CE MET A 75 1.091 10.768 3.343 1.00 0.00 C ATOM 0 H MET A 75 -3.435 11.736 3.129 1.00 0.00 H new ATOM 0 HA MET A 75 -1.424 9.603 3.072 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.974 10.894 5.352 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.703 9.702 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.100 12.223 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.214 12.302 5.764 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.171 10.660 3.241 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.600 9.869 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.756 11.630 2.766 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.156 8.688 2.547 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.162 7.634 2.504 1.00 0.00 C ATOM 1106 C GLN A 76 -5.854 7.597 1.146 1.00 0.00 C ATOM 1107 O GLN A 76 -6.106 8.637 0.537 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.196 7.841 3.612 1.00 0.00 C ATOM 1109 CG GLN A 76 -7.038 9.094 3.432 1.00 0.00 C ATOM 1110 CD GLN A 76 -7.967 9.006 2.238 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -8.302 7.914 1.776 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -8.389 10.157 1.729 1.00 0.00 N ATOM 0 H GLN A 76 -4.130 9.281 1.717 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.659 6.680 2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.854 6.973 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.682 7.893 4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.626 9.264 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.380 9.955 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.087 11.039 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.016 10.159 0.924 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.160 6.391 0.676 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.824 6.219 -0.611 1.00 0.00 C ATOM 1123 C VAL A 77 -7.654 4.940 -0.633 1.00 0.00 C ATOM 1124 O VAL A 77 -7.364 3.985 0.088 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.807 6.178 -1.767 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -4.959 4.918 -1.688 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.521 6.267 -3.107 1.00 0.00 C ATOM 0 H VAL A 77 -5.959 5.520 1.167 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.481 7.078 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.144 7.039 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.246 4.907 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.419 4.902 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.603 4.041 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.788 6.237 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.208 5.427 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.080 7.201 -3.160 1.00 0.00 H new ATOM 1137 N THR A 78 -8.689 4.927 -1.468 1.00 0.00 N ATOM 1138 CA THR A 78 -9.562 3.766 -1.584 1.00 0.00 C ATOM 1139 C THR A 78 -9.357 3.055 -2.917 1.00 0.00 C ATOM 1140 O THR A 78 -9.344 3.688 -3.973 1.00 0.00 O ATOM 1141 CB THR A 78 -11.045 4.163 -1.450 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.249 4.891 -0.235 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.938 2.931 -1.467 1.00 0.00 C ATOM 0 H THR A 78 -8.943 5.708 -2.074 1.00 0.00 H new ATOM 0 HA THR A 78 -9.299 3.090 -0.770 1.00 0.00 H new ATOM 0 HB THR A 78 -11.308 4.794 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.193 5.141 -0.158 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.980 3.236 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.801 2.396 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.673 2.278 -0.635 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.197 1.737 -2.861 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.994 0.941 -4.065 1.00 0.00 C ATOM 1153 C ILE A 79 -10.210 0.070 -4.359 1.00 0.00 C ATOM 1154 O ILE A 79 -10.322 -1.047 -3.855 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.750 0.041 -3.941 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.554 0.853 -3.438 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.431 -0.608 -5.279 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.097 1.920 -4.407 1.00 0.00 C ATOM 0 H ILE A 79 -9.204 1.198 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.845 1.642 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.960 -0.747 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.817 1.323 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.724 0.176 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.550 -1.241 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.278 -1.215 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.237 0.166 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.247 2.455 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.802 1.455 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.912 2.620 -4.588 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.117 0.589 -5.181 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.325 -0.142 -5.544 1.00 0.00 C ATOM 1172 C GLN A 80 -12.065 -1.071 -6.725 1.00 0.00 C ATOM 1173 O GLN A 80 -10.972 -1.083 -7.289 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.454 0.832 -5.886 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.735 1.846 -4.788 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.742 2.898 -5.209 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.509 2.697 -6.152 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.746 4.027 -4.511 1.00 0.00 N ATOM 0 H GLN A 80 -11.038 1.512 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.624 -0.747 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.199 1.363 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.363 0.265 -6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.106 1.326 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.803 2.334 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.093 4.151 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.402 4.771 -4.748 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.077 -1.850 -7.094 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.957 -2.784 -8.208 1.00 0.00 C ATOM 1189 C ASN A 81 -12.076 -3.971 -7.830 1.00 0.00 C ATOM 1190 O ASN A 81 -11.183 -4.360 -8.584 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.379 -2.075 -9.434 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.001 -0.711 -9.661 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.183 -0.603 -9.990 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.207 0.339 -9.486 1.00 0.00 N ATOM 0 H ASN A 81 -13.989 -1.853 -6.638 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.953 -3.156 -8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.302 -1.964 -9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.537 -2.695 -10.317 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.570 1.282 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.234 0.203 -9.213 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.334 -4.543 -6.659 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.566 -5.687 -6.181 1.00 0.00 C ATOM 1203 C LEU A 82 -12.472 -6.890 -5.943 1.00 0.00 C ATOM 1204 O LEU A 82 -13.696 -6.765 -5.928 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.828 -5.327 -4.890 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.868 -4.139 -4.975 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.192 -3.903 -3.633 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.831 -4.368 -6.064 1.00 0.00 C ATOM 0 H LEU A 82 -13.069 -4.233 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.838 -5.950 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.568 -5.116 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.265 -6.201 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.443 -3.249 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.513 -3.054 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.948 -3.693 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.630 -4.792 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.157 -3.513 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.260 -5.269 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.332 -4.487 -7.025 1.00 0.00 H new ATOM 1220 N MET A 83 -11.862 -8.056 -5.754 1.00 0.00 N ATOM 1221 CA MET A 83 -12.614 -9.282 -5.513 1.00 0.00 C ATOM 1222 C MET A 83 -12.525 -9.695 -4.048 1.00 0.00 C ATOM 1223 O MET A 83 -11.461 -9.654 -3.430 1.00 0.00 O ATOM 1224 CB MET A 83 -12.092 -10.410 -6.406 1.00 0.00 C ATOM 1225 CG MET A 83 -12.873 -11.706 -6.265 1.00 0.00 C ATOM 1226 SD MET A 83 -14.293 -11.786 -7.374 1.00 0.00 S ATOM 1227 CE MET A 83 -13.527 -11.357 -8.936 1.00 0.00 C ATOM 0 H MET A 83 -10.849 -8.177 -5.763 1.00 0.00 H new ATOM 0 HA MET A 83 -13.659 -9.091 -5.755 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.127 -10.085 -7.446 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.045 -10.598 -6.166 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.211 -12.548 -6.467 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.215 -11.809 -5.235 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.039 -11.876 -9.747 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.597 -10.281 -9.092 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.478 -11.653 -8.920 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.669 -10.102 -3.476 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.745 -10.530 -2.076 1.00 0.00 C ATOM 1239 C PRO A 84 -13.038 -11.860 -1.838 1.00 0.00 C ATOM 1240 O PRO A 84 -12.899 -12.672 -2.751 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.249 -10.673 -1.831 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.830 -10.936 -3.177 1.00 0.00 C ATOM 1243 CD PRO A 84 -14.975 -10.175 -4.153 1.00 0.00 C ATOM 0 HA PRO A 84 -13.255 -9.824 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.462 -11.490 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.666 -9.768 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.825 -12.002 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.867 -10.605 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.903 -10.690 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.380 -9.183 -4.354 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.593 -12.075 -0.604 1.00 0.00 N ATOM 1252 CA ALA A 85 -11.903 -13.308 -0.245 1.00 0.00 C ATOM 1253 C ALA A 85 -10.677 -13.527 -1.125 1.00 0.00 C ATOM 1254 O ALA A 85 -10.326 -14.662 -1.448 1.00 0.00 O ATOM 1255 CB ALA A 85 -12.850 -14.493 -0.351 1.00 0.00 C ATOM 0 H ALA A 85 -12.698 -11.411 0.164 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.565 -13.219 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.321 -15.407 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.692 -14.347 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.216 -14.576 -1.374 1.00 0.00 H new ATOM 1261 N THR A 86 -10.030 -12.432 -1.513 1.00 0.00 N ATOM 1262 CA THR A 86 -8.844 -12.505 -2.358 1.00 0.00 C ATOM 1263 C THR A 86 -7.792 -11.495 -1.916 1.00 0.00 C ATOM 1264 O THR A 86 -8.049 -10.292 -1.875 1.00 0.00 O ATOM 1265 CB THR A 86 -9.193 -12.252 -3.837 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.122 -13.240 -4.298 1.00 0.00 O ATOM 1267 CG2 THR A 86 -7.941 -12.284 -4.701 1.00 0.00 C ATOM 0 H THR A 86 -10.307 -11.485 -1.256 1.00 0.00 H new ATOM 0 HA THR A 86 -8.442 -13.513 -2.254 1.00 0.00 H new ATOM 0 HB THR A 86 -9.646 -11.264 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.986 -13.110 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.212 -12.103 -5.741 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.248 -11.512 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.464 -13.261 -4.615 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.603 -11.992 -1.587 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.510 -11.132 -1.149 1.00 0.00 C ATOM 1277 C VAL A 87 -5.088 -10.173 -2.257 1.00 0.00 C ATOM 1278 O VAL A 87 -5.345 -10.418 -3.436 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.288 -11.959 -0.708 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -4.410 -12.354 0.756 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.131 -13.189 -1.589 1.00 0.00 C ATOM 0 H VAL A 87 -6.373 -12.985 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.879 -10.560 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.395 -11.344 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.537 -12.938 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.470 -11.456 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.311 -12.951 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.263 -13.762 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.024 -13.809 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.993 -12.879 -2.625 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.439 -9.080 -1.870 1.00 0.00 N ATOM 1292 CA TYR A 88 -3.983 -8.082 -2.830 1.00 0.00 C ATOM 1293 C TYR A 88 -2.748 -7.352 -2.311 1.00 0.00 C ATOM 1294 O TYR A 88 -2.803 -6.668 -1.288 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.099 -7.078 -3.122 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.147 -7.598 -4.080 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.834 -7.863 -5.407 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.450 -7.827 -3.656 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.789 -8.338 -6.285 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.411 -8.304 -4.526 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.076 -8.557 -5.840 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.030 -9.031 -6.711 1.00 0.00 O ATOM 0 H TYR A 88 -4.217 -8.863 -0.898 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.717 -8.597 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.581 -6.801 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.660 -6.170 -3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.827 -7.695 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.716 -7.629 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.529 -8.537 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.419 -8.478 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.601 -9.588 -7.394 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.637 -7.501 -3.024 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.389 -6.855 -2.637 1.00 0.00 C ATOM 1314 C ILE A 89 -0.409 -5.370 -2.984 1.00 0.00 C ATOM 1315 O ILE A 89 -0.207 -4.989 -4.137 1.00 0.00 O ATOM 1316 CB ILE A 89 0.822 -7.515 -3.321 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.629 -9.031 -3.398 1.00 0.00 C ATOM 1318 CG2 ILE A 89 2.103 -7.176 -2.573 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.222 -9.655 -2.082 1.00 0.00 C ATOM 0 H ILE A 89 -1.576 -8.063 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.294 -6.972 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 89 0.903 -7.126 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.130 -9.255 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.557 -9.491 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.950 -7.650 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.245 -6.095 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.033 -7.540 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.103 -10.731 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.991 -9.462 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.722 -9.223 -1.751 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.651 -4.536 -1.978 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.696 -3.092 -2.177 1.00 0.00 C ATOM 1333 C PHE A 90 0.684 -2.473 -1.977 1.00 0.00 C ATOM 1334 O PHE A 90 1.442 -2.888 -1.100 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.698 -2.454 -1.212 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.121 -2.862 -1.470 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.619 -4.048 -0.956 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.959 -2.060 -2.227 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.928 -4.426 -1.190 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.268 -2.432 -2.465 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.753 -3.617 -1.947 1.00 0.00 C ATOM 0 H PHE A 90 -0.819 -4.835 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.016 -2.901 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.430 -2.725 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.620 -1.369 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.977 -4.685 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.585 -1.133 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.305 -5.352 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.912 -1.797 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.775 -3.911 -2.133 1.00 0.00 H new ATOM 1351 N ARG A 91 1.004 -1.477 -2.797 1.00 0.00 N ATOM 1352 CA ARG A 91 2.293 -0.801 -2.713 1.00 0.00 C ATOM 1353 C ARG A 91 2.118 0.713 -2.778 1.00 0.00 C ATOM 1354 O ARG A 91 1.668 1.254 -3.788 1.00 0.00 O ATOM 1355 CB ARG A 91 3.213 -1.268 -3.842 1.00 0.00 C ATOM 1356 CG ARG A 91 3.324 -2.780 -3.952 1.00 0.00 C ATOM 1357 CD ARG A 91 4.645 -3.198 -4.578 1.00 0.00 C ATOM 1358 NE ARG A 91 4.784 -2.702 -5.944 1.00 0.00 N ATOM 1359 CZ ARG A 91 5.717 -3.127 -6.789 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.587 -4.052 -6.410 1.00 0.00 N ATOM 1361 NH2 ARG A 91 5.779 -2.628 -8.017 1.00 0.00 N ATOM 0 H ARG A 91 0.388 -1.120 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 91 2.747 -1.056 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.845 -0.870 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.207 -0.850 -3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.233 -3.226 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.499 -3.164 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.469 -2.823 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.718 -4.286 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 91 4.129 -1.990 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.541 -4.439 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.302 -4.377 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.110 -1.917 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.496 -2.955 -8.665 1.00 0.00 H new ATOM 1375 N VAL A 92 2.476 1.393 -1.693 1.00 0.00 N ATOM 1376 CA VAL A 92 2.359 2.844 -1.627 1.00 0.00 C ATOM 1377 C VAL A 92 3.695 3.517 -1.920 1.00 0.00 C ATOM 1378 O VAL A 92 4.680 3.298 -1.215 1.00 0.00 O ATOM 1379 CB VAL A 92 1.857 3.305 -0.245 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.451 4.770 -0.285 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.698 2.434 0.218 1.00 0.00 C ATOM 0 H VAL A 92 2.850 0.961 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 92 1.633 3.137 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 92 2.671 3.199 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.099 5.077 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.310 5.378 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.652 4.906 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.356 2.773 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.120 2.507 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.027 1.397 0.289 1.00 0.00 H new ATOM 1391 N MET A 93 3.721 4.338 -2.965 1.00 0.00 N ATOM 1392 CA MET A 93 4.937 5.045 -3.350 1.00 0.00 C ATOM 1393 C MET A 93 4.683 6.545 -3.457 1.00 0.00 C ATOM 1394 O MET A 93 3.546 6.981 -3.631 1.00 0.00 O ATOM 1395 CB MET A 93 5.464 4.509 -4.683 1.00 0.00 C ATOM 1396 CG MET A 93 6.830 5.058 -5.062 1.00 0.00 C ATOM 1397 SD MET A 93 7.700 4.003 -6.236 1.00 0.00 S ATOM 1398 CE MET A 93 6.390 3.641 -7.403 1.00 0.00 C ATOM 0 H MET A 93 2.915 4.530 -3.560 1.00 0.00 H new ATOM 0 HA MET A 93 5.686 4.875 -2.577 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.520 3.422 -4.631 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.752 4.754 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.711 6.053 -5.492 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.435 5.170 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.822 3.433 -8.382 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.829 2.771 -7.062 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.721 4.498 -7.476 1.00 0.00 H new ATOM 1408 N ALA A 94 5.750 7.331 -3.351 1.00 0.00 N ATOM 1409 CA ALA A 94 5.642 8.782 -3.437 1.00 0.00 C ATOM 1410 C ALA A 94 6.107 9.286 -4.799 1.00 0.00 C ATOM 1411 O ALA A 94 6.914 8.641 -5.467 1.00 0.00 O ATOM 1412 CB ALA A 94 6.448 9.438 -2.326 1.00 0.00 C ATOM 0 H ALA A 94 6.699 6.987 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 94 4.593 9.052 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.358 10.522 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.068 9.110 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.496 9.153 -2.420 1.00 0.00 H new ATOM 1418 N GLN A 95 5.591 10.443 -5.204 1.00 0.00 N ATOM 1419 CA GLN A 95 5.953 11.032 -6.488 1.00 0.00 C ATOM 1420 C GLN A 95 6.009 12.553 -6.392 1.00 0.00 C ATOM 1421 O GLN A 95 5.035 13.196 -6.003 1.00 0.00 O ATOM 1422 CB GLN A 95 4.952 10.614 -7.566 1.00 0.00 C ATOM 1423 CG GLN A 95 5.356 9.355 -8.316 1.00 0.00 C ATOM 1424 CD GLN A 95 4.163 8.545 -8.782 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.180 9.096 -9.279 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.242 7.229 -8.625 1.00 0.00 N ATOM 0 H GLN A 95 4.922 10.990 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 95 6.943 10.666 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.978 10.455 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.836 11.430 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.963 9.630 -9.179 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.980 8.737 -7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.076 6.814 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.469 6.633 -8.921 1.00 0.00 H new ATOM 1435 N ASN A 96 7.156 13.122 -6.748 1.00 0.00 N ATOM 1436 CA ASN A 96 7.339 14.568 -6.701 1.00 0.00 C ATOM 1437 C ASN A 96 7.655 15.122 -8.087 1.00 0.00 C ATOM 1438 O ASN A 96 7.649 14.390 -9.077 1.00 0.00 O ATOM 1439 CB ASN A 96 8.462 14.930 -5.727 1.00 0.00 C ATOM 1440 CG ASN A 96 9.829 14.526 -6.244 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.645 15.376 -6.601 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.084 13.224 -6.288 1.00 0.00 N ATOM 0 H ASN A 96 7.973 12.604 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 96 6.408 15.015 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.449 16.005 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.280 14.442 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.987 12.892 -6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.377 12.555 -5.982 1.00 0.00 H new ATOM 1449 N LYS A 97 7.932 16.420 -8.150 1.00 0.00 N ATOM 1450 CA LYS A 97 8.253 17.074 -9.414 1.00 0.00 C ATOM 1451 C LYS A 97 9.208 16.219 -10.241 1.00 0.00 C ATOM 1452 O LYS A 97 9.279 16.355 -11.463 1.00 0.00 O ATOM 1453 CB LYS A 97 8.874 18.448 -9.157 1.00 0.00 C ATOM 1454 CG LYS A 97 10.287 18.384 -8.603 1.00 0.00 C ATOM 1455 CD LYS A 97 11.322 18.366 -9.716 1.00 0.00 C ATOM 1456 CE LYS A 97 11.696 19.774 -10.152 1.00 0.00 C ATOM 1457 NZ LYS A 97 10.813 20.270 -11.244 1.00 0.00 N ATOM 0 H LYS A 97 7.941 17.040 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 97 7.327 17.200 -9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.884 19.013 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.243 18.997 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.464 19.242 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.397 17.491 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.214 17.840 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.931 17.812 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.631 20.448 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.732 19.786 -10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.327 20.972 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.529 19.474 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.966 20.711 -10.832 1.00 0.00 H new ATOM 1471 N HIS A 98 9.940 15.337 -9.568 1.00 0.00 N ATOM 1472 CA HIS A 98 10.890 14.459 -10.242 1.00 0.00 C ATOM 1473 C HIS A 98 10.165 13.322 -10.957 1.00 0.00 C ATOM 1474 O HIS A 98 10.076 13.305 -12.184 1.00 0.00 O ATOM 1475 CB HIS A 98 11.891 13.888 -9.237 1.00 0.00 C ATOM 1476 CG HIS A 98 12.872 14.899 -8.729 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.398 15.900 -9.518 1.00 0.00 N ATOM 1478 CD2 HIS A 98 13.421 15.062 -7.502 1.00 0.00 C ATOM 1479 CE1 HIS A 98 14.230 16.633 -8.800 1.00 0.00 C ATOM 1480 NE2 HIS A 98 14.262 16.145 -7.573 1.00 0.00 N ATOM 0 H HIS A 98 9.894 15.211 -8.557 1.00 0.00 H new ATOM 0 HA HIS A 98 11.428 15.048 -10.985 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.345 13.467 -8.393 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.436 13.068 -9.705 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.232 14.453 -6.630 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.789 17.486 -9.156 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.821 16.513 -6.803 1.00 0.00 H new ATOM 1489 N GLY A 99 9.650 12.374 -10.181 1.00 0.00 N ATOM 1490 CA GLY A 99 8.941 11.246 -10.758 1.00 0.00 C ATOM 1491 C GLY A 99 8.535 10.222 -9.717 1.00 0.00 C ATOM 1492 O GLY A 99 7.885 10.557 -8.727 1.00 0.00 O ATOM 0 H GLY A 99 9.711 12.366 -9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.052 11.606 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.573 10.768 -11.506 1.00 0.00 H new ATOM 1496 N SER A 100 8.918 8.969 -9.941 1.00 0.00 N ATOM 1497 CA SER A 100 8.585 7.891 -9.017 1.00 0.00 C ATOM 1498 C SER A 100 9.827 7.412 -8.271 1.00 0.00 C ATOM 1499 O SER A 100 10.772 6.907 -8.875 1.00 0.00 O ATOM 1500 CB SER A 100 7.948 6.723 -9.772 1.00 0.00 C ATOM 1501 OG SER A 100 8.776 6.292 -10.839 1.00 0.00 O ATOM 0 H SER A 100 9.459 8.675 -10.754 1.00 0.00 H new ATOM 0 HA SER A 100 7.871 8.277 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.773 5.894 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.976 7.025 -10.161 1.00 0.00 H new ATOM 0 HG SER A 100 9.717 6.376 -10.577 1.00 0.00 H new ATOM 1507 N GLY A 101 9.817 7.576 -6.952 1.00 0.00 N ATOM 1508 CA GLY A 101 10.946 7.157 -6.143 1.00 0.00 C ATOM 1509 C GLY A 101 10.905 5.678 -5.813 1.00 0.00 C ATOM 1510 O GLY A 101 10.906 4.836 -6.710 1.00 0.00 O ATOM 0 H GLY A 101 9.046 7.992 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.872 7.383 -6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.959 7.733 -5.217 1.00 0.00 H new ATOM 1514 N GLU A 102 10.871 5.362 -4.522 1.00 0.00 N ATOM 1515 CA GLU A 102 10.832 3.974 -4.077 1.00 0.00 C ATOM 1516 C GLU A 102 9.459 3.621 -3.514 1.00 0.00 C ATOM 1517 O GLU A 102 8.884 4.377 -2.730 1.00 0.00 O ATOM 1518 CB GLU A 102 11.909 3.724 -3.018 1.00 0.00 C ATOM 1519 CG GLU A 102 12.137 2.253 -2.718 1.00 0.00 C ATOM 1520 CD GLU A 102 12.939 1.554 -3.798 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.845 2.193 -4.373 1.00 0.00 O ATOM 1522 OE2 GLU A 102 12.661 0.367 -4.069 1.00 0.00 O ATOM 0 H GLU A 102 10.870 6.048 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 102 11.026 3.337 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.847 4.167 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.627 4.234 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.657 2.157 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.174 1.755 -2.607 1.00 0.00 H new ATOM 1529 N SER A 103 8.938 2.468 -3.920 1.00 0.00 N ATOM 1530 CA SER A 103 7.630 2.016 -3.460 1.00 0.00 C ATOM 1531 C SER A 103 7.741 1.310 -2.112 1.00 0.00 C ATOM 1532 O SER A 103 8.619 0.471 -1.909 1.00 0.00 O ATOM 1533 CB SER A 103 7.001 1.075 -4.490 1.00 0.00 C ATOM 1534 OG SER A 103 5.588 1.192 -4.492 1.00 0.00 O ATOM 0 H SER A 103 9.401 1.830 -4.567 1.00 0.00 H new ATOM 0 HA SER A 103 6.993 2.892 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.389 1.305 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.284 0.046 -4.268 1.00 0.00 H new ATOM 0 HG SER A 103 5.210 0.582 -5.160 1.00 0.00 H new ATOM 1540 N SER A 104 6.846 1.657 -1.194 1.00 0.00 N ATOM 1541 CA SER A 104 6.845 1.061 0.137 1.00 0.00 C ATOM 1542 C SER A 104 6.797 -0.461 0.050 1.00 0.00 C ATOM 1543 O SER A 104 6.683 -1.029 -1.035 1.00 0.00 O ATOM 1544 CB SER A 104 5.654 1.575 0.948 1.00 0.00 C ATOM 1545 OG SER A 104 4.453 0.934 0.554 1.00 0.00 O ATOM 0 H SER A 104 6.112 2.348 -1.347 1.00 0.00 H new ATOM 0 HA SER A 104 7.769 1.350 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.831 1.402 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.556 2.652 0.813 1.00 0.00 H new ATOM 0 HG SER A 104 4.322 0.126 1.093 1.00 0.00 H new ATOM 1551 N ALA A 105 6.886 -1.116 1.203 1.00 0.00 N ATOM 1552 CA ALA A 105 6.851 -2.572 1.259 1.00 0.00 C ATOM 1553 C ALA A 105 5.491 -3.106 0.823 1.00 0.00 C ATOM 1554 O ALA A 105 4.454 -2.474 1.028 1.00 0.00 O ATOM 1555 CB ALA A 105 7.184 -3.055 2.663 1.00 0.00 C ATOM 0 H ALA A 105 6.983 -0.661 2.111 1.00 0.00 H new ATOM 0 HA ALA A 105 7.601 -2.955 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.154 -4.144 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.181 -2.713 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.455 -2.655 3.368 1.00 0.00 H new ATOM 1561 N PRO A 106 5.492 -4.297 0.206 1.00 0.00 N ATOM 1562 CA PRO A 106 4.265 -4.942 -0.272 1.00 0.00 C ATOM 1563 C PRO A 106 3.380 -5.425 0.872 1.00 0.00 C ATOM 1564 O PRO A 106 3.743 -6.346 1.605 1.00 0.00 O ATOM 1565 CB PRO A 106 4.783 -6.130 -1.086 1.00 0.00 C ATOM 1566 CG PRO A 106 6.124 -6.429 -0.509 1.00 0.00 C ATOM 1567 CD PRO A 106 6.690 -5.107 -0.071 1.00 0.00 C ATOM 0 HA PRO A 106 3.640 -4.256 -0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.116 -6.988 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.854 -5.883 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.042 -7.117 0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.769 -6.905 -1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.317 -5.212 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.308 -4.657 -0.848 1.00 0.00 H new ATOM 1575 N LEU A 107 2.218 -4.799 1.019 1.00 0.00 N ATOM 1576 CA LEU A 107 1.279 -5.165 2.075 1.00 0.00 C ATOM 1577 C LEU A 107 0.280 -6.205 1.578 1.00 0.00 C ATOM 1578 O LEU A 107 -0.329 -6.040 0.521 1.00 0.00 O ATOM 1579 CB LEU A 107 0.536 -3.926 2.576 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.527 -4.169 3.649 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.115 -4.677 4.931 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.318 -2.897 3.914 1.00 0.00 C ATOM 0 H LEU A 107 1.903 -4.035 0.421 1.00 0.00 H new ATOM 0 HA LEU A 107 1.847 -5.598 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.269 -3.223 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.059 -3.443 1.723 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.216 -4.932 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.656 -4.844 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.636 -5.613 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.826 -3.938 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.070 -3.089 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.642 -2.113 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.810 -2.576 2.996 1.00 0.00 H new ATOM 1594 N ARG A 108 0.116 -7.276 2.348 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.811 -8.342 1.987 1.00 0.00 C ATOM 1596 C ARG A 108 -2.159 -8.148 2.675 1.00 0.00 C ATOM 1597 O ARG A 108 -2.313 -8.453 3.858 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.225 -9.704 2.363 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.052 -10.880 1.868 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.612 -12.183 2.518 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.973 -12.239 3.931 1.00 0.00 N ATOM 1602 CZ ARG A 108 -0.719 -13.282 4.714 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -0.106 -14.350 4.222 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -1.079 -13.259 5.991 1.00 0.00 N ATOM 0 H ARG A 108 0.613 -7.428 3.226 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.966 -8.305 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.783 -9.782 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.135 -9.765 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.105 -10.702 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.958 -10.962 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.069 -13.022 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.468 -12.293 2.415 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.446 -11.433 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.172 -14.372 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.088 -15.150 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.552 -12.440 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.883 -14.061 6.591 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.131 -7.637 1.927 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.466 -7.402 2.465 1.00 0.00 C ATOM 1620 C VAL A 109 -5.480 -8.367 1.860 1.00 0.00 C ATOM 1621 O VAL A 109 -5.573 -8.499 0.640 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.930 -5.957 2.203 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.336 -5.741 2.744 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.955 -4.965 2.819 1.00 0.00 C ATOM 0 H VAL A 109 -3.019 -7.378 0.947 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.408 -7.568 3.541 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.951 -5.790 1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.647 -4.714 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.025 -6.428 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.345 -5.926 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.298 -3.949 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.900 -5.129 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.967 -5.105 2.380 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.237 -9.039 2.722 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.244 -9.993 2.271 1.00 0.00 C ATOM 1636 C GLU A 110 -8.650 -9.443 2.492 1.00 0.00 C ATOM 1637 O GLU A 110 -9.019 -9.077 3.608 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.083 -11.324 3.008 1.00 0.00 C ATOM 1639 CG GLU A 110 -7.974 -12.430 2.468 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.933 -13.682 3.322 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -6.846 -14.287 3.435 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.986 -14.056 3.878 1.00 0.00 O ATOM 0 H GLU A 110 -6.172 -8.941 3.735 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.100 -10.158 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.043 -11.642 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.304 -11.174 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.001 -12.068 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.665 -12.677 1.452 1.00 0.00 H new ATOM 1649 N THR A 111 -9.432 -9.388 1.418 1.00 0.00 N ATOM 1650 CA THR A 111 -10.797 -8.882 1.492 1.00 0.00 C ATOM 1651 C THR A 111 -11.685 -9.814 2.309 1.00 0.00 C ATOM 1652 O THR A 111 -11.226 -10.837 2.815 1.00 0.00 O ATOM 1653 CB THR A 111 -11.409 -8.707 0.089 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.022 -9.799 -0.753 1.00 0.00 O ATOM 1655 CG2 THR A 111 -10.962 -7.394 -0.536 1.00 0.00 C ATOM 0 H THR A 111 -9.143 -9.688 0.487 1.00 0.00 H new ATOM 0 HA THR A 111 -10.747 -7.910 1.982 1.00 0.00 H new ATOM 0 HB THR A 111 -12.494 -8.692 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.175 -9.559 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.407 -7.292 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.283 -6.564 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.876 -7.384 -0.623 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.959 -9.453 2.432 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.911 -10.258 3.187 1.00 0.00 C ATOM 1665 C GLN A 112 -14.829 -11.036 2.251 1.00 0.00 C ATOM 1666 O GLN A 112 -15.263 -10.538 1.212 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.742 -9.368 4.113 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.024 -8.100 4.544 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.987 -8.353 5.621 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.635 -9.498 5.902 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.492 -7.281 6.229 1.00 0.00 N ATOM 0 H GLN A 112 -13.355 -8.609 2.019 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.348 -10.971 3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.669 -9.097 3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.018 -9.938 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.540 -7.649 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.755 -7.380 4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.813 -6.350 5.963 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.790 -7.389 6.962 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.133 -12.288 2.625 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.004 -13.162 1.832 1.00 0.00 C ATOM 1682 C PRO A 113 -17.457 -12.700 1.846 1.00 0.00 C ATOM 1683 O PRO A 113 -18.233 -13.091 2.718 1.00 0.00 O ATOM 1684 CB PRO A 113 -15.868 -14.520 2.524 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.487 -14.194 3.927 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.652 -12.947 3.851 1.00 0.00 C ATOM 0 HA PRO A 113 -15.720 -13.174 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.803 -15.078 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.110 -15.136 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.371 -14.034 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.926 -15.012 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.792 -12.315 4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.589 -13.179 3.792 1.00 0.00 H new