USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 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 82 HIS : no HD1:sc= 0.998 K(o=1.8,f=-6.1!) USER MOD Set 1.2: A 95 GLN : amide:sc= 0.838 K(o=1.8,f=-3.3) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.0951 K(o=-0.096,f=-2.7!) USER MOD Set 2.2: A 88 ASN :FLIP amide:sc=-0.00117 F(o=-0.83,f=-0.096) USER MOD Set 3.1: A 19 TYR OH : rot -154:sc= 0.181 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -132:sc= 0.14 (180deg=0) USER MOD Single : A 13 MET CE :methyl -125:sc= -0.375 (180deg=-0.83) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 15 SER OG : rot -33:sc= 1.08 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 1.27 (180deg=0.962) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -0.0498 (180deg=-0.268) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 43 ASN : amide:sc= -2.76! C(o=-2.8!,f=-5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 48 GLN : amide:sc= -0.315 K(o=-0.31,f=-0.92) USER MOD Single : A 50 MET CE :methyl -148:sc= -0.123 (180deg=-0.831) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= 1.04 (180deg=0.95) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1) USER MOD Single : A 63 SER OG : rot -57:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 68 THR OG1 : rot -101:sc= 1.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.18) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.025 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 1.29 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0919 (180deg=-0.482) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N MET A 13 7.947 -8.987 -13.050 1.00 0.00 N ATOM 187 CA MET A 13 7.495 -7.790 -12.356 1.00 0.00 C ATOM 188 C MET A 13 8.262 -7.619 -11.056 1.00 0.00 C ATOM 189 O MET A 13 8.823 -8.582 -10.528 1.00 0.00 O ATOM 190 CB MET A 13 5.990 -7.863 -12.083 1.00 0.00 C ATOM 191 CG MET A 13 5.148 -7.837 -13.346 1.00 0.00 C ATOM 192 SD MET A 13 3.380 -7.992 -13.020 1.00 0.00 S ATOM 193 CE MET A 13 3.297 -9.662 -12.374 1.00 0.00 C ATOM 0 HA MET A 13 7.686 -6.926 -12.992 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.772 -8.776 -11.528 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.702 -7.027 -11.446 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.333 -6.905 -13.880 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.463 -8.648 -14.003 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.580 -10.242 -12.955 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.280 -10.128 -12.442 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.981 -9.633 -11.331 1.00 0.00 H new ATOM 203 N GLN A 14 8.288 -6.401 -10.538 1.00 0.00 N ATOM 204 CA GLN A 14 9.044 -6.118 -9.333 1.00 0.00 C ATOM 205 C GLN A 14 8.229 -6.472 -8.098 1.00 0.00 C ATOM 206 O GLN A 14 7.095 -6.015 -7.933 1.00 0.00 O ATOM 207 CB GLN A 14 9.470 -4.650 -9.288 1.00 0.00 C ATOM 208 CG GLN A 14 10.306 -4.232 -10.487 1.00 0.00 C ATOM 209 CD GLN A 14 11.017 -2.910 -10.281 1.00 0.00 C ATOM 210 OE1 GLN A 14 10.545 -2.038 -9.549 1.00 0.00 O ATOM 211 NE2 GLN A 14 12.162 -2.758 -10.925 1.00 0.00 N ATOM 0 H GLN A 14 7.797 -5.598 -10.932 1.00 0.00 H new ATOM 0 HA GLN A 14 9.944 -6.733 -9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.581 -4.022 -9.236 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.040 -4.471 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.044 -5.006 -10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.663 -4.160 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.515 -3.507 -11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.692 -1.892 -10.826 1.00 0.00 H new ATOM 220 N SER A 15 8.815 -7.303 -7.248 1.00 0.00 N ATOM 221 CA SER A 15 8.164 -7.749 -6.030 1.00 0.00 C ATOM 222 C SER A 15 8.382 -6.741 -4.907 1.00 0.00 C ATOM 223 O SER A 15 9.519 -6.382 -4.593 1.00 0.00 O ATOM 224 CB SER A 15 8.715 -9.115 -5.621 1.00 0.00 C ATOM 225 OG SER A 15 8.649 -10.030 -6.701 1.00 0.00 O ATOM 0 H SER A 15 9.751 -7.684 -7.385 1.00 0.00 H new ATOM 0 HA SER A 15 7.093 -7.833 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.748 -9.011 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.147 -9.503 -4.775 1.00 0.00 H new ATOM 0 HG SER A 15 7.860 -9.834 -7.248 1.00 0.00 H new ATOM 231 N LEU A 16 7.294 -6.276 -4.322 1.00 0.00 N ATOM 232 CA LEU A 16 7.368 -5.347 -3.209 1.00 0.00 C ATOM 233 C LEU A 16 6.654 -5.940 -2.000 1.00 0.00 C ATOM 234 O LEU A 16 5.439 -6.131 -2.016 1.00 0.00 O ATOM 235 CB LEU A 16 6.753 -3.995 -3.608 1.00 0.00 C ATOM 236 CG LEU A 16 7.046 -2.803 -2.677 1.00 0.00 C ATOM 237 CD1 LEU A 16 6.223 -2.874 -1.398 1.00 0.00 C ATOM 238 CD2 LEU A 16 8.531 -2.734 -2.351 1.00 0.00 C ATOM 0 H LEU A 16 6.345 -6.527 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 16 8.412 -5.177 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.106 -3.742 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.672 -4.118 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 16 6.759 -1.894 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.457 -2.017 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.162 -2.863 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.460 -3.794 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.720 -1.886 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.838 -3.655 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.100 -2.612 -3.272 1.00 0.00 H new ATOM 250 N VAL A 17 7.424 -6.252 -0.970 1.00 0.00 N ATOM 251 CA VAL A 17 6.865 -6.763 0.272 1.00 0.00 C ATOM 252 C VAL A 17 6.628 -5.606 1.230 1.00 0.00 C ATOM 253 O VAL A 17 7.573 -4.946 1.660 1.00 0.00 O ATOM 254 CB VAL A 17 7.799 -7.800 0.938 1.00 0.00 C ATOM 255 CG1 VAL A 17 7.167 -8.362 2.204 1.00 0.00 C ATOM 256 CG2 VAL A 17 8.140 -8.919 -0.037 1.00 0.00 C ATOM 0 H VAL A 17 8.440 -6.160 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 17 5.924 -7.262 0.038 1.00 0.00 H new ATOM 0 HB VAL A 17 8.724 -7.296 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.842 -9.089 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.982 -7.552 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.224 -8.848 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.798 -9.638 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.224 -9.420 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.642 -8.501 -0.909 1.00 0.00 H new ATOM 266 N GLY A 18 5.369 -5.357 1.552 1.00 0.00 N ATOM 267 CA GLY A 18 5.038 -4.220 2.378 1.00 0.00 C ATOM 268 C GLY A 18 3.821 -4.460 3.243 1.00 0.00 C ATOM 269 O GLY A 18 3.304 -5.580 3.312 1.00 0.00 O ATOM 0 H GLY A 18 4.573 -5.922 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.889 -3.979 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.861 -3.353 1.741 1.00 0.00 H new ATOM 273 N TYR A 19 3.363 -3.411 3.903 1.00 0.00 N ATOM 274 CA TYR A 19 2.231 -3.513 4.806 1.00 0.00 C ATOM 275 C TYR A 19 1.100 -2.601 4.363 1.00 0.00 C ATOM 276 O TYR A 19 1.326 -1.449 3.984 1.00 0.00 O ATOM 277 CB TYR A 19 2.656 -3.167 6.235 1.00 0.00 C ATOM 278 CG TYR A 19 3.718 -4.094 6.776 1.00 0.00 C ATOM 279 CD1 TYR A 19 3.374 -5.267 7.431 1.00 0.00 C ATOM 280 CD2 TYR A 19 5.066 -3.802 6.613 1.00 0.00 C ATOM 281 CE1 TYR A 19 4.344 -6.126 7.909 1.00 0.00 C ATOM 282 CE2 TYR A 19 6.039 -4.655 7.090 1.00 0.00 C ATOM 283 CZ TYR A 19 5.675 -5.814 7.736 1.00 0.00 C ATOM 284 OH TYR A 19 6.645 -6.670 8.203 1.00 0.00 O ATOM 0 H TYR A 19 3.760 -2.474 3.830 1.00 0.00 H new ATOM 0 HA TYR A 19 1.872 -4.542 4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.029 -2.143 6.259 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.783 -3.204 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.331 -5.513 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.356 -2.894 6.105 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.061 -7.037 8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.083 -4.414 6.957 1.00 0.00 H new ATOM 0 HH TYR A 19 7.465 -6.166 8.386 1.00 0.00 H new ATOM 294 N VAL A 20 -0.110 -3.132 4.403 1.00 0.00 N ATOM 295 CA VAL A 20 -1.300 -2.377 4.052 1.00 0.00 C ATOM 296 C VAL A 20 -1.789 -1.612 5.264 1.00 0.00 C ATOM 297 O VAL A 20 -2.522 -2.162 6.079 1.00 0.00 O ATOM 298 CB VAL A 20 -2.444 -3.297 3.571 1.00 0.00 C ATOM 299 CG1 VAL A 20 -3.570 -2.484 2.953 1.00 0.00 C ATOM 300 CG2 VAL A 20 -1.932 -4.343 2.600 1.00 0.00 C ATOM 0 H VAL A 20 -0.295 -4.096 4.679 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.029 -1.700 3.242 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.843 -3.818 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.363 -3.154 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.967 -1.790 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.188 -1.924 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.759 -4.976 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.493 -3.850 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.175 -4.955 3.091 1.00 0.00 H new ATOM 310 N VAL A 21 -1.373 -0.365 5.398 1.00 0.00 N ATOM 311 CA VAL A 21 -1.767 0.430 6.551 1.00 0.00 C ATOM 312 C VAL A 21 -3.145 1.039 6.343 1.00 0.00 C ATOM 313 O VAL A 21 -3.931 1.153 7.284 1.00 0.00 O ATOM 314 CB VAL A 21 -0.739 1.537 6.878 1.00 0.00 C ATOM 315 CG1 VAL A 21 0.559 0.917 7.364 1.00 0.00 C ATOM 316 CG2 VAL A 21 -0.482 2.430 5.673 1.00 0.00 C ATOM 0 H VAL A 21 -0.769 0.116 4.732 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.802 -0.248 7.404 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.155 2.160 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.276 1.706 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.368 0.330 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.966 0.269 6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.245 3.198 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.093 1.829 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.414 2.904 5.366 1.00 0.00 H new ATOM 326 N LEU A 22 -3.449 1.405 5.106 1.00 0.00 N ATOM 327 CA LEU A 22 -4.748 1.973 4.787 1.00 0.00 C ATOM 328 C LEU A 22 -5.325 1.322 3.543 1.00 0.00 C ATOM 329 O LEU A 22 -4.671 1.245 2.505 1.00 0.00 O ATOM 330 CB LEU A 22 -4.652 3.488 4.587 1.00 0.00 C ATOM 331 CG LEU A 22 -4.336 4.297 5.847 1.00 0.00 C ATOM 332 CD1 LEU A 22 -4.160 5.767 5.502 1.00 0.00 C ATOM 333 CD2 LEU A 22 -5.437 4.124 6.882 1.00 0.00 C ATOM 0 H LEU A 22 -2.816 1.319 4.311 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.412 1.777 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.882 3.691 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.596 3.844 4.174 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.403 3.925 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.936 6.329 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.339 5.879 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.079 6.149 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.195 4.706 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.384 4.471 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.522 3.071 7.150 1.00 0.00 H new ATOM 345 N LYS A 23 -6.549 0.842 3.661 1.00 0.00 N ATOM 346 CA LYS A 23 -7.236 0.235 2.535 1.00 0.00 C ATOM 347 C LYS A 23 -8.403 1.103 2.101 1.00 0.00 C ATOM 348 O LYS A 23 -9.255 1.467 2.912 1.00 0.00 O ATOM 349 CB LYS A 23 -7.728 -1.172 2.887 1.00 0.00 C ATOM 350 CG LYS A 23 -8.588 -1.799 1.799 1.00 0.00 C ATOM 351 CD LYS A 23 -8.937 -3.240 2.122 1.00 0.00 C ATOM 352 CE LYS A 23 -9.921 -3.819 1.115 1.00 0.00 C ATOM 353 NZ LYS A 23 -11.278 -3.226 1.259 1.00 0.00 N ATOM 0 H LYS A 23 -7.089 0.861 4.526 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.528 0.153 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.867 -1.814 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.301 -1.128 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.504 -1.220 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.059 -1.757 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.028 -3.842 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.365 -3.295 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.553 -3.641 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.981 -4.899 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.997 -3.962 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.385 -2.832 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.402 -2.469 0.557 1.00 0.00 H new ATOM 367 N ASP A 24 -8.422 1.439 0.825 1.00 0.00 N ATOM 368 CA ASP A 24 -9.496 2.223 0.242 1.00 0.00 C ATOM 369 C ASP A 24 -10.019 1.500 -0.991 1.00 0.00 C ATOM 370 O ASP A 24 -9.381 0.563 -1.476 1.00 0.00 O ATOM 371 CB ASP A 24 -8.983 3.617 -0.131 1.00 0.00 C ATOM 372 CG ASP A 24 -10.073 4.525 -0.665 1.00 0.00 C ATOM 373 OD1 ASP A 24 -11.083 4.730 0.041 1.00 0.00 O ATOM 374 OD2 ASP A 24 -9.932 5.024 -1.800 1.00 0.00 O ATOM 0 H ASP A 24 -7.693 1.176 0.162 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.305 2.339 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.531 4.079 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.198 3.521 -0.881 1.00 0.00 H new ATOM 379 N ASN A 25 -11.168 1.914 -1.493 1.00 0.00 N ATOM 380 CA ASN A 25 -11.741 1.283 -2.670 1.00 0.00 C ATOM 381 C ASN A 25 -10.880 1.573 -3.892 1.00 0.00 C ATOM 382 O ASN A 25 -10.839 2.705 -4.383 1.00 0.00 O ATOM 383 CB ASN A 25 -13.183 1.748 -2.893 1.00 0.00 C ATOM 384 CG ASN A 25 -14.089 1.383 -1.728 1.00 0.00 C ATOM 385 OD1 ASN A 25 -13.856 0.394 -1.031 1.00 0.00 O ATOM 386 ND2 ASN A 25 -15.129 2.169 -1.510 1.00 0.00 N ATOM 0 H ASN A 25 -11.721 2.680 -1.108 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.762 0.205 -2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.197 2.828 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.571 1.299 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.771 1.965 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.290 2.979 -2.108 1.00 0.00 H new ATOM 393 N GLU A 26 -10.156 0.539 -4.330 1.00 0.00 N ATOM 394 CA GLU A 26 -9.240 0.600 -5.476 1.00 0.00 C ATOM 395 C GLU A 26 -7.913 1.256 -5.102 1.00 0.00 C ATOM 396 O GLU A 26 -7.057 1.469 -5.959 1.00 0.00 O ATOM 397 CB GLU A 26 -9.863 1.319 -6.680 1.00 0.00 C ATOM 398 CG GLU A 26 -10.993 0.547 -7.340 1.00 0.00 C ATOM 399 CD GLU A 26 -11.516 1.247 -8.574 1.00 0.00 C ATOM 400 OE1 GLU A 26 -10.746 1.392 -9.549 1.00 0.00 O ATOM 401 OE2 GLU A 26 -12.697 1.656 -8.583 1.00 0.00 O ATOM 0 H GLU A 26 -10.190 -0.381 -3.891 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.046 -0.433 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.239 2.289 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.085 1.509 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.642 -0.449 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.806 0.415 -6.626 1.00 0.00 H new ATOM 408 N ARG A 27 -7.731 1.555 -3.821 1.00 0.00 N ATOM 409 CA ARG A 27 -6.484 2.148 -3.347 1.00 0.00 C ATOM 410 C ARG A 27 -5.915 1.357 -2.178 1.00 0.00 C ATOM 411 O ARG A 27 -6.554 1.221 -1.137 1.00 0.00 O ATOM 412 CB ARG A 27 -6.677 3.608 -2.909 1.00 0.00 C ATOM 413 CG ARG A 27 -6.835 4.598 -4.051 1.00 0.00 C ATOM 414 CD ARG A 27 -8.234 4.577 -4.634 1.00 0.00 C ATOM 415 NE ARG A 27 -8.354 5.471 -5.779 1.00 0.00 N ATOM 416 CZ ARG A 27 -9.394 5.488 -6.602 1.00 0.00 C ATOM 417 NH1 ARG A 27 -10.439 4.699 -6.377 1.00 0.00 N ATOM 418 NH2 ARG A 27 -9.395 6.308 -7.645 1.00 0.00 N ATOM 0 H ARG A 27 -8.428 1.398 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.787 2.120 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.558 3.668 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.822 3.907 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.607 5.602 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.113 4.366 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.487 3.561 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.952 4.869 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.591 6.124 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.444 4.077 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.237 4.715 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.598 6.922 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.193 6.324 -8.280 1.00 0.00 H new ATOM 432 N ALA A 28 -4.717 0.835 -2.353 1.00 0.00 N ATOM 433 CA ALA A 28 -4.017 0.184 -1.263 1.00 0.00 C ATOM 434 C ALA A 28 -2.831 1.030 -0.842 1.00 0.00 C ATOM 435 O ALA A 28 -1.842 1.146 -1.568 1.00 0.00 O ATOM 436 CB ALA A 28 -3.567 -1.214 -1.655 1.00 0.00 C ATOM 0 H ALA A 28 -4.209 0.849 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.702 0.084 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.045 -1.677 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.437 -1.816 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.896 -1.153 -2.512 1.00 0.00 H new ATOM 442 N ILE A 29 -2.946 1.649 0.319 1.00 0.00 N ATOM 443 CA ILE A 29 -1.888 2.482 0.844 1.00 0.00 C ATOM 444 C ILE A 29 -0.892 1.619 1.603 1.00 0.00 C ATOM 445 O ILE A 29 -1.163 1.159 2.720 1.00 0.00 O ATOM 446 CB ILE A 29 -2.453 3.593 1.760 1.00 0.00 C ATOM 447 CG1 ILE A 29 -3.406 4.489 0.961 1.00 0.00 C ATOM 448 CG2 ILE A 29 -1.325 4.406 2.368 1.00 0.00 C ATOM 449 CD1 ILE A 29 -4.016 5.618 1.767 1.00 0.00 C ATOM 0 H ILE A 29 -3.770 1.587 0.918 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.382 2.969 0.011 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.010 3.133 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.865 4.912 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.208 3.874 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.741 5.183 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.683 3.753 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.739 4.867 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.677 6.205 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.587 5.204 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.223 6.258 2.154 1.00 0.00 H new ATOM 461 N LEU A 30 0.251 1.381 0.971 1.00 0.00 N ATOM 462 CA LEU A 30 1.232 0.440 1.478 1.00 0.00 C ATOM 463 C LEU A 30 2.493 1.147 1.946 1.00 0.00 C ATOM 464 O LEU A 30 2.843 2.221 1.453 1.00 0.00 O ATOM 465 CB LEU A 30 1.618 -0.564 0.383 1.00 0.00 C ATOM 466 CG LEU A 30 0.455 -1.230 -0.352 1.00 0.00 C ATOM 467 CD1 LEU A 30 0.982 -2.198 -1.400 1.00 0.00 C ATOM 468 CD2 LEU A 30 -0.460 -1.946 0.622 1.00 0.00 C ATOM 0 H LEU A 30 0.519 1.834 0.097 1.00 0.00 H new ATOM 0 HA LEU A 30 0.778 -0.075 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.240 -0.051 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.233 -1.344 0.832 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.125 -0.455 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.144 -2.666 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.596 -1.656 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.584 -2.966 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.280 -2.412 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.103 -2.713 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.862 -1.229 1.338 1.00 0.00 H new ATOM 480 N ILE A 31 3.165 0.539 2.904 1.00 0.00 N ATOM 481 CA ILE A 31 4.499 0.958 3.291 1.00 0.00 C ATOM 482 C ILE A 31 5.516 0.065 2.586 1.00 0.00 C ATOM 483 O ILE A 31 5.450 -1.155 2.703 1.00 0.00 O ATOM 484 CB ILE A 31 4.698 0.880 4.824 1.00 0.00 C ATOM 485 CG1 ILE A 31 3.791 1.894 5.529 1.00 0.00 C ATOM 486 CG2 ILE A 31 6.156 1.112 5.201 1.00 0.00 C ATOM 487 CD1 ILE A 31 3.938 1.900 7.035 1.00 0.00 C ATOM 0 H ILE A 31 2.805 -0.255 3.434 1.00 0.00 H new ATOM 0 HA ILE A 31 4.639 1.998 2.997 1.00 0.00 H new ATOM 0 HB ILE A 31 4.424 -0.123 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.011 2.891 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.753 1.677 5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.266 1.051 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.779 0.352 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.468 2.099 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.265 2.643 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.689 0.915 7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.966 2.147 7.299 1.00 0.00 H new ATOM 499 N THR A 32 6.429 0.671 1.837 1.00 0.00 N ATOM 500 CA THR A 32 7.416 -0.095 1.077 1.00 0.00 C ATOM 501 C THR A 32 8.547 -0.587 1.972 1.00 0.00 C ATOM 502 O THR A 32 9.372 -1.404 1.561 1.00 0.00 O ATOM 503 CB THR A 32 7.995 0.728 -0.089 1.00 0.00 C ATOM 504 OG1 THR A 32 8.328 2.056 0.348 1.00 0.00 O ATOM 505 CG2 THR A 32 7.006 0.802 -1.241 1.00 0.00 C ATOM 0 H THR A 32 6.509 1.683 1.738 1.00 0.00 H new ATOM 0 HA THR A 32 6.895 -0.959 0.666 1.00 0.00 H new ATOM 0 HB THR A 32 8.900 0.229 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.696 2.565 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.436 1.388 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.786 -0.204 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.085 1.276 -0.900 1.00 0.00 H new ATOM 513 N ASP A 33 8.581 -0.081 3.193 1.00 0.00 N ATOM 514 CA ASP A 33 9.552 -0.522 4.177 1.00 0.00 C ATOM 515 C ASP A 33 8.973 -1.698 4.957 1.00 0.00 C ATOM 516 O ASP A 33 7.760 -1.904 4.956 1.00 0.00 O ATOM 517 CB ASP A 33 9.911 0.625 5.122 1.00 0.00 C ATOM 518 CG ASP A 33 11.249 0.417 5.797 1.00 0.00 C ATOM 519 OD1 ASP A 33 11.308 -0.330 6.795 1.00 0.00 O ATOM 520 OD2 ASP A 33 12.249 0.996 5.323 1.00 0.00 O ATOM 0 H ASP A 33 7.942 0.641 3.527 1.00 0.00 H new ATOM 0 HA ASP A 33 10.464 -0.839 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.930 1.561 4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.135 0.723 5.881 1.00 0.00 H new ATOM 525 N THR A 34 9.821 -2.456 5.629 1.00 0.00 N ATOM 526 CA THR A 34 9.375 -3.675 6.285 1.00 0.00 C ATOM 527 C THR A 34 9.178 -3.481 7.786 1.00 0.00 C ATOM 528 O THR A 34 8.964 -4.447 8.528 1.00 0.00 O ATOM 529 CB THR A 34 10.359 -4.830 6.030 1.00 0.00 C ATOM 530 OG1 THR A 34 11.687 -4.440 6.398 1.00 0.00 O ATOM 531 CG2 THR A 34 10.332 -5.235 4.564 1.00 0.00 C ATOM 0 H THR A 34 10.815 -2.253 5.735 1.00 0.00 H new ATOM 0 HA THR A 34 8.408 -3.929 5.851 1.00 0.00 H new ATOM 0 HB THR A 34 10.055 -5.682 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.304 -5.183 6.233 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.033 -6.053 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.327 -5.559 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.617 -4.383 3.946 1.00 0.00 H new ATOM 539 N LYS A 35 9.240 -2.234 8.231 1.00 0.00 N ATOM 540 CA LYS A 35 8.972 -1.911 9.625 1.00 0.00 C ATOM 541 C LYS A 35 7.473 -1.925 9.890 1.00 0.00 C ATOM 542 O LYS A 35 6.695 -1.342 9.134 1.00 0.00 O ATOM 543 CB LYS A 35 9.548 -0.544 9.985 1.00 0.00 C ATOM 544 CG LYS A 35 11.056 -0.475 9.857 1.00 0.00 C ATOM 545 CD LYS A 35 11.589 0.882 10.274 1.00 0.00 C ATOM 546 CE LYS A 35 13.089 0.969 10.063 1.00 0.00 C ATOM 547 NZ LYS A 35 13.820 -0.098 10.797 1.00 0.00 N ATOM 0 H LYS A 35 9.473 -1.430 7.648 1.00 0.00 H new ATOM 0 HA LYS A 35 9.453 -2.666 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.101 0.212 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.266 -0.297 11.008 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.510 -1.250 10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.344 -0.679 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.092 1.663 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.355 1.061 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.310 0.893 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.445 1.945 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.836 0.123 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.466 -0.153 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.670 -1.011 10.322 1.00 0.00 H new ATOM 561 N ALA A 36 7.071 -2.601 10.955 1.00 0.00 N ATOM 562 CA ALA A 36 5.668 -2.666 11.328 1.00 0.00 C ATOM 563 C ALA A 36 5.285 -1.460 12.177 1.00 0.00 C ATOM 564 O ALA A 36 5.893 -1.209 13.221 1.00 0.00 O ATOM 565 CB ALA A 36 5.375 -3.959 12.073 1.00 0.00 C ATOM 0 H ALA A 36 7.698 -3.113 11.576 1.00 0.00 H new ATOM 0 HA ALA A 36 5.068 -2.650 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.320 -3.991 12.345 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.611 -4.809 11.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.984 -4.005 12.976 1.00 0.00 H new ATOM 571 N PRO A 37 4.281 -0.691 11.729 1.00 0.00 N ATOM 572 CA PRO A 37 3.798 0.489 12.456 1.00 0.00 C ATOM 573 C PRO A 37 3.039 0.112 13.728 1.00 0.00 C ATOM 574 O PRO A 37 2.664 -1.049 13.920 1.00 0.00 O ATOM 575 CB PRO A 37 2.867 1.168 11.450 1.00 0.00 C ATOM 576 CG PRO A 37 2.404 0.071 10.556 1.00 0.00 C ATOM 577 CD PRO A 37 3.540 -0.910 10.472 1.00 0.00 C ATOM 0 HA PRO A 37 4.615 1.127 12.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.028 1.650 11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.390 1.942 10.888 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.508 -0.404 10.955 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.148 0.455 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.179 -1.935 10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.167 -0.724 9.600 1.00 0.00 H new ATOM 585 N GLY A 38 2.817 1.089 14.594 1.00 0.00 N ATOM 586 CA GLY A 38 2.164 0.817 15.857 1.00 0.00 C ATOM 587 C GLY A 38 0.704 1.217 15.860 1.00 0.00 C ATOM 588 O GLY A 38 0.151 1.603 14.831 1.00 0.00 O ATOM 0 H GLY A 38 3.077 2.064 14.445 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.245 -0.247 16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.684 1.351 16.652 1.00 0.00 H new ATOM 592 N LYS A 39 0.086 1.137 17.032 1.00 0.00 N ATOM 593 CA LYS A 39 -1.325 1.464 17.193 1.00 0.00 C ATOM 594 C LYS A 39 -1.574 2.929 16.860 1.00 0.00 C ATOM 595 O LYS A 39 -2.556 3.272 16.202 1.00 0.00 O ATOM 596 CB LYS A 39 -1.770 1.164 18.629 1.00 0.00 C ATOM 597 CG LYS A 39 -3.180 1.633 18.957 1.00 0.00 C ATOM 598 CD LYS A 39 -4.224 0.930 18.107 1.00 0.00 C ATOM 599 CE LYS A 39 -5.617 1.467 18.390 1.00 0.00 C ATOM 600 NZ LYS A 39 -6.653 0.766 17.591 1.00 0.00 N ATOM 0 H LYS A 39 0.546 0.845 17.894 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.907 0.851 16.505 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.708 0.089 18.799 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.072 1.637 19.320 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.387 1.450 20.011 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.250 2.709 18.801 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.987 1.064 17.051 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.197 -0.141 18.306 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.840 1.356 19.451 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.647 2.534 18.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.589 1.161 17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.455 0.893 16.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.642 -0.248 17.822 1.00 0.00 H new ATOM 614 N GLU A 40 -0.664 3.781 17.308 1.00 0.00 N ATOM 615 CA GLU A 40 -0.780 5.212 17.091 1.00 0.00 C ATOM 616 C GLU A 40 -0.693 5.533 15.600 1.00 0.00 C ATOM 617 O GLU A 40 -1.407 6.403 15.104 1.00 0.00 O ATOM 618 CB GLU A 40 0.311 5.941 17.878 1.00 0.00 C ATOM 619 CG GLU A 40 0.153 7.450 17.909 1.00 0.00 C ATOM 620 CD GLU A 40 1.099 8.105 18.893 1.00 0.00 C ATOM 621 OE1 GLU A 40 2.247 8.404 18.515 1.00 0.00 O ATOM 622 OE2 GLU A 40 0.699 8.310 20.061 1.00 0.00 O ATOM 0 H GLU A 40 0.168 3.502 17.828 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.752 5.554 17.448 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.317 5.566 18.902 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.281 5.697 17.444 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.333 7.853 16.912 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.874 7.701 18.174 1.00 0.00 H new ATOM 629 N ASP A 41 0.157 4.797 14.887 1.00 0.00 N ATOM 630 CA ASP A 41 0.308 4.976 13.443 1.00 0.00 C ATOM 631 C ASP A 41 -1.012 4.711 12.730 1.00 0.00 C ATOM 632 O ASP A 41 -1.429 5.482 11.871 1.00 0.00 O ATOM 633 CB ASP A 41 1.387 4.045 12.877 1.00 0.00 C ATOM 634 CG ASP A 41 2.784 4.400 13.339 1.00 0.00 C ATOM 635 OD1 ASP A 41 3.408 5.295 12.735 1.00 0.00 O ATOM 636 OD2 ASP A 41 3.274 3.774 14.305 1.00 0.00 O ATOM 0 H ASP A 41 0.752 4.071 15.285 1.00 0.00 H new ATOM 0 HA ASP A 41 0.612 6.009 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.164 3.020 13.171 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.352 4.079 11.788 1.00 0.00 H new ATOM 641 N TYR A 42 -1.684 3.630 13.114 1.00 0.00 N ATOM 642 CA TYR A 42 -2.957 3.263 12.501 1.00 0.00 C ATOM 643 C TYR A 42 -4.072 4.226 12.905 1.00 0.00 C ATOM 644 O TYR A 42 -5.141 4.239 12.294 1.00 0.00 O ATOM 645 CB TYR A 42 -3.345 1.828 12.869 1.00 0.00 C ATOM 646 CG TYR A 42 -2.514 0.777 12.169 1.00 0.00 C ATOM 647 CD1 TYR A 42 -2.683 0.526 10.813 1.00 0.00 C ATOM 648 CD2 TYR A 42 -1.567 0.032 12.860 1.00 0.00 C ATOM 649 CE1 TYR A 42 -1.930 -0.433 10.166 1.00 0.00 C ATOM 650 CE2 TYR A 42 -0.810 -0.929 12.220 1.00 0.00 C ATOM 651 CZ TYR A 42 -0.994 -1.158 10.873 1.00 0.00 C ATOM 652 OH TYR A 42 -0.242 -2.117 10.231 1.00 0.00 O ATOM 0 H TYR A 42 -1.369 2.993 13.846 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.827 3.328 11.421 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.246 1.699 13.947 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.395 1.671 12.624 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.416 1.091 10.256 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.420 0.207 13.916 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.073 -0.615 9.111 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.077 -1.499 12.772 1.00 0.00 H new ATOM 0 HH TYR A 42 0.371 -2.535 10.871 1.00 0.00 H new ATOM 662 N ASN A 43 -3.826 5.028 13.931 1.00 0.00 N ATOM 663 CA ASN A 43 -4.801 6.018 14.375 1.00 0.00 C ATOM 664 C ASN A 43 -4.532 7.370 13.725 1.00 0.00 C ATOM 665 O ASN A 43 -5.387 8.257 13.739 1.00 0.00 O ATOM 666 CB ASN A 43 -4.792 6.155 15.900 1.00 0.00 C ATOM 667 CG ASN A 43 -5.490 5.004 16.604 1.00 0.00 C ATOM 668 OD1 ASN A 43 -5.111 4.619 17.710 1.00 0.00 O ATOM 669 ND2 ASN A 43 -6.525 4.455 15.982 1.00 0.00 N ATOM 0 H ASN A 43 -2.961 5.014 14.472 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.788 5.672 14.067 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.761 6.214 16.248 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.277 7.091 16.178 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.035 3.688 16.420 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.811 4.800 15.066 1.00 0.00 H new ATOM 676 N LEU A 44 -3.343 7.524 13.157 1.00 0.00 N ATOM 677 CA LEU A 44 -2.989 8.745 12.447 1.00 0.00 C ATOM 678 C LEU A 44 -3.733 8.816 11.119 1.00 0.00 C ATOM 679 O LEU A 44 -4.116 7.790 10.556 1.00 0.00 O ATOM 680 CB LEU A 44 -1.479 8.820 12.209 1.00 0.00 C ATOM 681 CG LEU A 44 -0.623 8.930 13.473 1.00 0.00 C ATOM 682 CD1 LEU A 44 0.852 8.953 13.114 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.998 10.172 14.268 1.00 0.00 C ATOM 0 H LEU A 44 -2.607 6.818 13.174 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.281 9.595 13.064 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.170 7.932 11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.270 9.680 11.573 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.814 8.055 14.095 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.447 9.032 14.024 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.113 8.035 12.588 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.057 9.809 12.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.378 10.232 15.163 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.837 11.059 13.655 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.048 10.116 14.557 1.00 0.00 H new ATOM 695 N SER A 45 -3.939 10.025 10.630 1.00 0.00 N ATOM 696 CA SER A 45 -4.694 10.236 9.409 1.00 0.00 C ATOM 697 C SER A 45 -3.808 10.092 8.174 1.00 0.00 C ATOM 698 O SER A 45 -2.581 10.009 8.281 1.00 0.00 O ATOM 699 CB SER A 45 -5.336 11.618 9.453 1.00 0.00 C ATOM 700 OG SER A 45 -4.404 12.593 9.888 1.00 0.00 O ATOM 0 H SER A 45 -3.591 10.881 11.063 1.00 0.00 H new ATOM 0 HA SER A 45 -5.470 9.474 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.710 11.882 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.194 11.604 10.125 1.00 0.00 H new ATOM 0 HG SER A 45 -4.836 13.473 9.907 1.00 0.00 H new ATOM 706 N GLU A 46 -4.452 10.066 7.010 1.00 0.00 N ATOM 707 CA GLU A 46 -3.772 9.947 5.723 1.00 0.00 C ATOM 708 C GLU A 46 -2.639 10.966 5.599 1.00 0.00 C ATOM 709 O GLU A 46 -1.513 10.615 5.245 1.00 0.00 O ATOM 710 CB GLU A 46 -4.793 10.160 4.603 1.00 0.00 C ATOM 711 CG GLU A 46 -4.244 9.984 3.198 1.00 0.00 C ATOM 712 CD GLU A 46 -5.257 10.377 2.144 1.00 0.00 C ATOM 713 OE1 GLU A 46 -6.142 9.559 1.822 1.00 0.00 O ATOM 714 OE2 GLU A 46 -5.194 11.526 1.652 1.00 0.00 O ATOM 0 H GLU A 46 -5.467 10.127 6.933 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.333 8.952 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.618 9.462 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.206 11.165 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.345 10.589 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.951 8.945 3.050 1.00 0.00 H new ATOM 721 N GLY A 47 -2.945 12.220 5.914 1.00 0.00 N ATOM 722 CA GLY A 47 -1.963 13.284 5.810 1.00 0.00 C ATOM 723 C GLY A 47 -0.776 13.074 6.730 1.00 0.00 C ATOM 724 O GLY A 47 0.372 13.260 6.327 1.00 0.00 O ATOM 0 H GLY A 47 -3.863 12.520 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.612 13.350 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.438 14.236 6.047 1.00 0.00 H new ATOM 728 N GLN A 48 -1.047 12.665 7.963 1.00 0.00 N ATOM 729 CA GLN A 48 0.011 12.465 8.940 1.00 0.00 C ATOM 730 C GLN A 48 0.854 11.242 8.602 1.00 0.00 C ATOM 731 O GLN A 48 2.065 11.249 8.803 1.00 0.00 O ATOM 732 CB GLN A 48 -0.565 12.349 10.351 1.00 0.00 C ATOM 733 CG GLN A 48 -1.155 13.655 10.858 1.00 0.00 C ATOM 734 CD GLN A 48 -0.152 14.797 10.820 1.00 0.00 C ATOM 735 OE1 GLN A 48 1.052 14.593 10.983 1.00 0.00 O ATOM 736 NE2 GLN A 48 -0.641 16.004 10.594 1.00 0.00 N ATOM 0 H GLN A 48 -1.986 12.467 8.307 1.00 0.00 H new ATOM 0 HA GLN A 48 0.661 13.339 8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.337 11.579 10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.220 12.022 11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.023 13.917 10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.508 13.519 11.880 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.645 16.132 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.015 16.808 10.549 1.00 0.00 H new ATOM 745 N LEU A 49 0.223 10.202 8.074 1.00 0.00 N ATOM 746 CA LEU A 49 0.956 9.014 7.649 1.00 0.00 C ATOM 747 C LEU A 49 1.813 9.325 6.428 1.00 0.00 C ATOM 748 O LEU A 49 2.932 8.830 6.299 1.00 0.00 O ATOM 749 CB LEU A 49 -0.004 7.861 7.350 1.00 0.00 C ATOM 750 CG LEU A 49 -0.684 7.258 8.580 1.00 0.00 C ATOM 751 CD1 LEU A 49 -1.627 6.136 8.177 1.00 0.00 C ATOM 752 CD2 LEU A 49 0.360 6.747 9.562 1.00 0.00 C ATOM 0 H LEU A 49 -0.786 10.155 7.930 1.00 0.00 H new ATOM 0 HA LEU A 49 1.612 8.708 8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.773 8.216 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.545 7.074 6.833 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.270 8.038 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.100 5.721 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.393 6.527 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.065 5.354 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.138 6.320 10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.968 5.981 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.998 7.573 9.877 1.00 0.00 H new ATOM 764 N MET A 50 1.283 10.163 5.545 1.00 0.00 N ATOM 765 CA MET A 50 2.017 10.619 4.369 1.00 0.00 C ATOM 766 C MET A 50 3.267 11.392 4.785 1.00 0.00 C ATOM 767 O MET A 50 4.304 11.327 4.126 1.00 0.00 O ATOM 768 CB MET A 50 1.116 11.514 3.511 1.00 0.00 C ATOM 769 CG MET A 50 1.779 12.032 2.245 1.00 0.00 C ATOM 770 SD MET A 50 0.752 13.223 1.359 1.00 0.00 S ATOM 771 CE MET A 50 -0.738 12.263 1.090 1.00 0.00 C ATOM 0 H MET A 50 0.340 10.544 5.622 1.00 0.00 H new ATOM 0 HA MET A 50 2.322 9.748 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.222 10.954 3.237 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.789 12.364 4.111 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.730 12.499 2.502 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.004 11.192 1.588 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.202 12.567 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.485 11.204 1.043 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.434 12.434 1.911 1.00 0.00 H new ATOM 781 N ASN A 51 3.149 12.116 5.889 1.00 0.00 N ATOM 782 CA ASN A 51 4.240 12.932 6.407 1.00 0.00 C ATOM 783 C ASN A 51 5.217 12.094 7.235 1.00 0.00 C ATOM 784 O ASN A 51 6.434 12.215 7.095 1.00 0.00 O ATOM 785 CB ASN A 51 3.661 14.065 7.263 1.00 0.00 C ATOM 786 CG ASN A 51 4.720 14.965 7.873 1.00 0.00 C ATOM 787 OD1 ASN A 51 5.788 15.175 7.300 1.00 0.00 O ATOM 788 ND2 ASN A 51 4.422 15.505 9.043 1.00 0.00 N ATOM 0 H ASN A 51 2.298 12.155 6.450 1.00 0.00 H new ATOM 0 HA ASN A 51 4.792 13.349 5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.993 14.668 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.058 13.634 8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.090 16.122 9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.524 15.304 9.484 1.00 0.00 H new ATOM 795 N LYS A 52 4.673 11.239 8.092 1.00 0.00 N ATOM 796 CA LYS A 52 5.483 10.421 8.992 1.00 0.00 C ATOM 797 C LYS A 52 6.265 9.363 8.214 1.00 0.00 C ATOM 798 O LYS A 52 7.393 9.019 8.568 1.00 0.00 O ATOM 799 CB LYS A 52 4.580 9.765 10.042 1.00 0.00 C ATOM 800 CG LYS A 52 5.324 9.058 11.164 1.00 0.00 C ATOM 801 CD LYS A 52 4.373 8.671 12.286 1.00 0.00 C ATOM 802 CE LYS A 52 5.094 8.004 13.447 1.00 0.00 C ATOM 803 NZ LYS A 52 5.589 6.647 13.099 1.00 0.00 N ATOM 0 H LYS A 52 3.668 11.092 8.184 1.00 0.00 H new ATOM 0 HA LYS A 52 6.206 11.063 9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.935 10.529 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.930 9.045 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.815 8.166 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.107 9.709 11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.856 9.561 12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.611 7.995 11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.934 8.626 13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.418 7.934 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.448 6.439 13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.857 5.943 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.810 6.608 12.083 1.00 0.00 H new ATOM 817 N PHE A 53 5.662 8.859 7.148 1.00 0.00 N ATOM 818 CA PHE A 53 6.311 7.872 6.295 1.00 0.00 C ATOM 819 C PHE A 53 6.559 8.458 4.910 1.00 0.00 C ATOM 820 O PHE A 53 6.353 7.790 3.896 1.00 0.00 O ATOM 821 CB PHE A 53 5.450 6.608 6.187 1.00 0.00 C ATOM 822 CG PHE A 53 5.260 5.893 7.495 1.00 0.00 C ATOM 823 CD1 PHE A 53 6.250 5.060 7.992 1.00 0.00 C ATOM 824 CD2 PHE A 53 4.094 6.053 8.225 1.00 0.00 C ATOM 825 CE1 PHE A 53 6.080 4.400 9.195 1.00 0.00 C ATOM 826 CE2 PHE A 53 3.918 5.396 9.428 1.00 0.00 C ATOM 827 CZ PHE A 53 4.913 4.569 9.913 1.00 0.00 C ATOM 0 H PHE A 53 4.721 9.118 6.851 1.00 0.00 H new ATOM 0 HA PHE A 53 7.268 7.603 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.473 6.878 5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.911 5.925 5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.164 4.925 7.433 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.314 6.698 7.850 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.859 3.754 9.572 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.004 5.529 9.988 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.778 4.055 10.853 1.00 0.00 H new ATOM 837 N LYS A 54 7.023 9.704 4.885 1.00 0.00 N ATOM 838 CA LYS A 54 7.251 10.435 3.640 1.00 0.00 C ATOM 839 C LYS A 54 8.084 9.628 2.643 1.00 0.00 C ATOM 840 O LYS A 54 9.216 9.235 2.933 1.00 0.00 O ATOM 841 CB LYS A 54 7.939 11.770 3.932 1.00 0.00 C ATOM 842 CG LYS A 54 8.232 12.590 2.686 1.00 0.00 C ATOM 843 CD LYS A 54 8.887 13.915 3.032 1.00 0.00 C ATOM 844 CE LYS A 54 9.280 14.678 1.778 1.00 0.00 C ATOM 845 NZ LYS A 54 9.875 16.002 2.095 1.00 0.00 N ATOM 0 H LYS A 54 7.252 10.236 5.725 1.00 0.00 H new ATOM 0 HA LYS A 54 6.277 10.615 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.309 12.355 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.874 11.580 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.884 12.023 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.305 12.772 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.202 14.518 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.771 13.738 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.994 14.088 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.401 14.817 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.129 16.489 1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.185 16.576 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.728 15.869 2.675 1.00 0.00 H new ATOM 859 N ASN A 55 7.479 9.367 1.479 1.00 0.00 N ATOM 860 CA ASN A 55 8.127 8.670 0.360 1.00 0.00 C ATOM 861 C ASN A 55 8.390 7.193 0.656 1.00 0.00 C ATOM 862 O ASN A 55 8.915 6.465 -0.185 1.00 0.00 O ATOM 863 CB ASN A 55 9.410 9.391 -0.073 1.00 0.00 C ATOM 864 CG ASN A 55 9.109 10.646 -0.875 1.00 0.00 C ATOM 865 OD1 ASN A 55 8.102 10.716 -1.585 1.00 0.00 O ATOM 866 ND2 ASN A 55 9.967 11.649 -0.765 1.00 0.00 N ATOM 0 H ASN A 55 6.515 9.636 1.284 1.00 0.00 H new ATOM 0 HA ASN A 55 7.425 8.697 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.994 9.655 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.022 8.716 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.806 12.516 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.789 11.554 -0.168 1.00 0.00 H new ATOM 873 N ASN A 56 8.005 6.753 1.847 1.00 0.00 N ATOM 874 CA ASN A 56 8.015 5.333 2.185 1.00 0.00 C ATOM 875 C ASN A 56 6.624 4.766 1.960 1.00 0.00 C ATOM 876 O ASN A 56 6.435 3.555 1.810 1.00 0.00 O ATOM 877 CB ASN A 56 8.433 5.116 3.644 1.00 0.00 C ATOM 878 CG ASN A 56 9.920 5.304 3.869 1.00 0.00 C ATOM 879 OD1 ASN A 56 10.737 4.999 3.002 1.00 0.00 O ATOM 880 ND2 ASN A 56 10.285 5.810 5.038 1.00 0.00 N ATOM 0 H ASN A 56 7.680 7.361 2.599 1.00 0.00 H new ATOM 0 HA ASN A 56 8.738 4.823 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.884 5.810 4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.149 4.110 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.273 5.959 5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.578 6.051 5.733 1.00 0.00 H new ATOM 887 N ILE A 57 5.657 5.670 1.942 1.00 0.00 N ATOM 888 CA ILE A 57 4.264 5.332 1.723 1.00 0.00 C ATOM 889 C ILE A 57 3.933 5.380 0.230 1.00 0.00 C ATOM 890 O ILE A 57 4.150 6.397 -0.434 1.00 0.00 O ATOM 891 CB ILE A 57 3.344 6.295 2.517 1.00 0.00 C ATOM 892 CG1 ILE A 57 1.868 6.013 2.229 1.00 0.00 C ATOM 893 CG2 ILE A 57 3.677 7.750 2.206 1.00 0.00 C ATOM 894 CD1 ILE A 57 0.924 6.919 2.994 1.00 0.00 C ATOM 0 H ILE A 57 5.821 6.667 2.080 1.00 0.00 H new ATOM 0 HA ILE A 57 4.091 4.317 2.081 1.00 0.00 H new ATOM 0 HB ILE A 57 3.523 6.120 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.685 6.128 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.648 4.975 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.017 8.404 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.713 7.953 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.540 7.935 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.106 6.666 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.080 6.787 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.118 7.957 2.725 1.00 0.00 H new ATOM 906 N VAL A 58 3.437 4.274 -0.296 1.00 0.00 N ATOM 907 CA VAL A 58 3.071 4.189 -1.704 1.00 0.00 C ATOM 908 C VAL A 58 1.628 3.731 -1.846 1.00 0.00 C ATOM 909 O VAL A 58 1.238 2.697 -1.303 1.00 0.00 O ATOM 910 CB VAL A 58 3.991 3.221 -2.485 1.00 0.00 C ATOM 911 CG1 VAL A 58 3.543 3.092 -3.936 1.00 0.00 C ATOM 912 CG2 VAL A 58 5.440 3.678 -2.423 1.00 0.00 C ATOM 0 H VAL A 58 3.277 3.416 0.232 1.00 0.00 H new ATOM 0 HA VAL A 58 3.189 5.187 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 58 3.916 2.242 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.207 2.406 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.524 2.708 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.578 4.070 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.066 2.980 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.527 4.672 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.768 3.709 -1.384 1.00 0.00 H new ATOM 922 N ILE A 59 0.837 4.507 -2.565 1.00 0.00 N ATOM 923 CA ILE A 59 -0.554 4.160 -2.802 1.00 0.00 C ATOM 924 C ILE A 59 -0.683 3.423 -4.129 1.00 0.00 C ATOM 925 O ILE A 59 -0.516 4.017 -5.198 1.00 0.00 O ATOM 926 CB ILE A 59 -1.458 5.413 -2.819 1.00 0.00 C ATOM 927 CG1 ILE A 59 -1.269 6.225 -1.534 1.00 0.00 C ATOM 928 CG2 ILE A 59 -2.917 5.008 -2.990 1.00 0.00 C ATOM 929 CD1 ILE A 59 -2.052 7.523 -1.508 1.00 0.00 C ATOM 0 H ILE A 59 1.134 5.383 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.881 3.517 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.173 6.039 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.568 5.614 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.209 6.448 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.543 5.900 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.037 4.469 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.215 4.365 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.867 8.041 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.737 8.155 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.117 7.308 -1.600 1.00 0.00 H new ATOM 941 N VAL A 60 -0.957 2.130 -4.068 1.00 0.00 N ATOM 942 CA VAL A 60 -1.079 1.333 -5.277 1.00 0.00 C ATOM 943 C VAL A 60 -2.543 1.159 -5.668 1.00 0.00 C ATOM 944 O VAL A 60 -3.423 1.059 -4.811 1.00 0.00 O ATOM 945 CB VAL A 60 -0.403 -0.052 -5.144 1.00 0.00 C ATOM 946 CG1 VAL A 60 1.070 0.102 -4.799 1.00 0.00 C ATOM 947 CG2 VAL A 60 -1.105 -0.917 -4.110 1.00 0.00 C ATOM 0 H VAL A 60 -1.098 1.613 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.558 1.880 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.485 -0.554 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.528 -0.883 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.571 0.665 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.168 0.635 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.604 -1.883 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.072 -0.423 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.143 -1.067 -4.406 1.00 0.00 H new ATOM 957 N GLY A 61 -2.792 1.160 -6.967 1.00 0.00 N ATOM 958 CA GLY A 61 -4.136 0.996 -7.474 1.00 0.00 C ATOM 959 C GLY A 61 -4.556 -0.457 -7.514 1.00 0.00 C ATOM 960 O GLY A 61 -3.798 -1.319 -7.969 1.00 0.00 O ATOM 0 H GLY A 61 -2.078 1.273 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.830 1.556 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.199 1.419 -8.477 1.00 0.00 H new ATOM 964 N LEU A 62 -5.764 -0.722 -7.036 1.00 0.00 N ATOM 965 CA LEU A 62 -6.311 -2.073 -7.007 1.00 0.00 C ATOM 966 C LEU A 62 -7.367 -2.238 -8.094 1.00 0.00 C ATOM 967 O LEU A 62 -8.150 -3.183 -8.072 1.00 0.00 O ATOM 968 CB LEU A 62 -6.943 -2.357 -5.641 1.00 0.00 C ATOM 969 CG LEU A 62 -6.031 -2.153 -4.430 1.00 0.00 C ATOM 970 CD1 LEU A 62 -6.811 -2.376 -3.143 1.00 0.00 C ATOM 971 CD2 LEU A 62 -4.833 -3.088 -4.497 1.00 0.00 C ATOM 0 H LEU A 62 -6.390 -0.011 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.498 -2.778 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.817 -1.716 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.300 -3.387 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.663 -1.127 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.152 -2.228 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.637 -1.667 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.204 -3.393 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.197 -2.927 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.178 -4.122 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.264 -2.886 -5.405 1.00 0.00 H new ATOM 983 N SER A 63 -7.369 -1.319 -9.048 1.00 0.00 N ATOM 984 CA SER A 63 -8.390 -1.279 -10.089 1.00 0.00 C ATOM 985 C SER A 63 -8.410 -2.557 -10.933 1.00 0.00 C ATOM 986 O SER A 63 -9.472 -2.990 -11.387 1.00 0.00 O ATOM 987 CB SER A 63 -8.162 -0.055 -10.973 1.00 0.00 C ATOM 988 OG SER A 63 -8.158 1.127 -10.189 1.00 0.00 O ATOM 0 H SER A 63 -6.667 -0.583 -9.124 1.00 0.00 H new ATOM 0 HA SER A 63 -9.364 -1.209 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.214 -0.152 -11.501 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.944 0.006 -11.730 1.00 0.00 H new ATOM 0 HG SER A 63 -9.005 1.199 -9.701 1.00 0.00 H new ATOM 994 N GLU A 64 -7.244 -3.165 -11.131 1.00 0.00 N ATOM 995 CA GLU A 64 -7.151 -4.387 -11.923 1.00 0.00 C ATOM 996 C GLU A 64 -7.668 -5.594 -11.145 1.00 0.00 C ATOM 997 O GLU A 64 -8.260 -6.509 -11.723 1.00 0.00 O ATOM 998 CB GLU A 64 -5.710 -4.637 -12.380 1.00 0.00 C ATOM 999 CG GLU A 64 -5.376 -4.030 -13.737 1.00 0.00 C ATOM 1000 CD GLU A 64 -5.509 -2.523 -13.771 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -6.645 -2.022 -13.906 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -4.481 -1.828 -13.679 1.00 0.00 O ATOM 0 H GLU A 64 -6.355 -2.834 -10.756 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.779 -4.251 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.027 -4.231 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.534 -5.712 -12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.356 -4.303 -14.008 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.033 -4.462 -14.492 1.00 0.00 H new ATOM 1009 N ILE A 65 -7.458 -5.587 -9.837 1.00 0.00 N ATOM 1010 CA ILE A 65 -7.862 -6.705 -8.996 1.00 0.00 C ATOM 1011 C ILE A 65 -9.058 -6.316 -8.139 1.00 0.00 C ATOM 1012 O ILE A 65 -8.900 -5.705 -7.084 1.00 0.00 O ATOM 1013 CB ILE A 65 -6.726 -7.168 -8.059 1.00 0.00 C ATOM 1014 CG1 ILE A 65 -5.394 -7.245 -8.805 1.00 0.00 C ATOM 1015 CG2 ILE A 65 -7.070 -8.525 -7.454 1.00 0.00 C ATOM 1016 CD1 ILE A 65 -4.214 -7.516 -7.895 1.00 0.00 C ATOM 0 H ILE A 65 -7.010 -4.820 -9.335 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.120 -7.524 -9.667 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.623 -6.435 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.452 -8.031 -9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.227 -6.307 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.263 -8.844 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.995 -8.445 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.198 -9.257 -8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.300 -7.558 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.132 -6.717 -7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.360 -8.468 -7.384 1.00 0.00 H new ATOM 1028 N ASP A 66 -10.250 -6.680 -8.580 1.00 0.00 N ATOM 1029 CA ASP A 66 -11.469 -6.333 -7.859 1.00 0.00 C ATOM 1030 C ASP A 66 -11.755 -7.347 -6.754 1.00 0.00 C ATOM 1031 O ASP A 66 -12.792 -7.299 -6.097 1.00 0.00 O ATOM 1032 CB ASP A 66 -12.653 -6.241 -8.826 1.00 0.00 C ATOM 1033 CG ASP A 66 -13.021 -7.575 -9.443 1.00 0.00 C ATOM 1034 OD1 ASP A 66 -12.177 -8.166 -10.157 1.00 0.00 O ATOM 1035 OD2 ASP A 66 -14.163 -8.035 -9.228 1.00 0.00 O ATOM 0 H ASP A 66 -10.403 -7.216 -9.434 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.325 -5.358 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.518 -5.842 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.412 -5.534 -9.620 1.00 0.00 H new ATOM 1040 N ASN A 67 -10.809 -8.255 -6.548 1.00 0.00 N ATOM 1041 CA ASN A 67 -10.910 -9.255 -5.489 1.00 0.00 C ATOM 1042 C ASN A 67 -10.095 -8.821 -4.275 1.00 0.00 C ATOM 1043 O ASN A 67 -9.831 -9.614 -3.374 1.00 0.00 O ATOM 1044 CB ASN A 67 -10.393 -10.615 -5.975 1.00 0.00 C ATOM 1045 CG ASN A 67 -11.209 -11.197 -7.114 1.00 0.00 C ATOM 1046 OD1 ASN A 67 -12.407 -10.950 -7.231 1.00 0.00 O ATOM 1047 ND2 ASN A 67 -10.565 -11.991 -7.957 1.00 0.00 N ATOM 0 H ASN A 67 -9.957 -8.320 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.961 -9.348 -5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.357 -10.508 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.396 -11.316 -5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.065 -12.421 -8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.570 -12.172 -7.827 1.00 0.00 H new ATOM 1054 N THR A 68 -9.709 -7.551 -4.252 1.00 0.00 N ATOM 1055 CA THR A 68 -8.817 -7.037 -3.218 1.00 0.00 C ATOM 1056 C THR A 68 -9.568 -6.589 -1.971 1.00 0.00 C ATOM 1057 O THR A 68 -8.976 -6.015 -1.058 1.00 0.00 O ATOM 1058 CB THR A 68 -7.989 -5.857 -3.749 1.00 0.00 C ATOM 1059 OG1 THR A 68 -8.828 -4.988 -4.524 1.00 0.00 O ATOM 1060 CG2 THR A 68 -6.820 -6.344 -4.591 1.00 0.00 C ATOM 0 H THR A 68 -10.000 -6.856 -4.939 1.00 0.00 H new ATOM 0 HA THR A 68 -8.160 -7.862 -2.944 1.00 0.00 H new ATOM 0 HB THR A 68 -7.585 -5.308 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.682 -5.158 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.251 -5.488 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.174 -6.978 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.196 -6.916 -5.439 1.00 0.00 H new ATOM 1068 N ASP A 69 -10.864 -6.856 -1.911 1.00 0.00 N ATOM 1069 CA ASP A 69 -11.645 -6.439 -0.755 1.00 0.00 C ATOM 1070 C ASP A 69 -11.455 -7.423 0.394 1.00 0.00 C ATOM 1071 O ASP A 69 -11.816 -7.141 1.537 1.00 0.00 O ATOM 1072 CB ASP A 69 -13.125 -6.289 -1.107 1.00 0.00 C ATOM 1073 CG ASP A 69 -13.907 -5.614 0.003 1.00 0.00 C ATOM 1074 OD1 ASP A 69 -13.535 -4.484 0.392 1.00 0.00 O ATOM 1075 OD2 ASP A 69 -14.883 -6.214 0.504 1.00 0.00 O ATOM 0 H ASP A 69 -11.389 -7.349 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.284 -5.461 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.222 -5.708 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.552 -7.272 -1.305 1.00 0.00 H new ATOM 1080 N ASP A 70 -10.860 -8.574 0.082 1.00 0.00 N ATOM 1081 CA ASP A 70 -10.500 -9.562 1.098 1.00 0.00 C ATOM 1082 C ASP A 70 -9.325 -9.058 1.919 1.00 0.00 C ATOM 1083 O ASP A 70 -9.070 -9.532 3.029 1.00 0.00 O ATOM 1084 CB ASP A 70 -10.126 -10.901 0.457 1.00 0.00 C ATOM 1085 CG ASP A 70 -11.293 -11.570 -0.232 1.00 0.00 C ATOM 1086 OD1 ASP A 70 -11.565 -11.242 -1.404 1.00 0.00 O ATOM 1087 OD2 ASP A 70 -11.940 -12.437 0.391 1.00 0.00 O ATOM 0 H ASP A 70 -10.616 -8.846 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.367 -9.711 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.327 -10.741 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.733 -11.568 1.224 1.00 0.00 H new ATOM 1092 N LEU A 71 -8.606 -8.101 1.350 1.00 0.00 N ATOM 1093 CA LEU A 71 -7.472 -7.480 2.010 1.00 0.00 C ATOM 1094 C LEU A 71 -7.958 -6.665 3.204 1.00 0.00 C ATOM 1095 O LEU A 71 -9.060 -6.117 3.176 1.00 0.00 O ATOM 1096 CB LEU A 71 -6.741 -6.579 1.011 1.00 0.00 C ATOM 1097 CG LEU A 71 -5.376 -6.062 1.456 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -4.402 -7.213 1.616 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -4.847 -5.049 0.454 1.00 0.00 C ATOM 0 H LEU A 71 -8.795 -7.735 0.417 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.785 -8.247 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.613 -7.130 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.378 -5.723 0.790 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.486 -5.569 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.433 -6.828 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.780 -7.908 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.292 -7.732 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.873 -4.687 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.748 -5.521 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.540 -4.211 0.383 1.00 0.00 H new ATOM 1111 N LYS A 72 -7.154 -6.591 4.252 1.00 0.00 N ATOM 1112 CA LYS A 72 -7.549 -5.866 5.452 1.00 0.00 C ATOM 1113 C LYS A 72 -6.595 -4.721 5.758 1.00 0.00 C ATOM 1114 O LYS A 72 -5.558 -4.567 5.115 1.00 0.00 O ATOM 1115 CB LYS A 72 -7.617 -6.803 6.656 1.00 0.00 C ATOM 1116 CG LYS A 72 -8.791 -7.763 6.631 1.00 0.00 C ATOM 1117 CD LYS A 72 -8.957 -8.441 7.977 1.00 0.00 C ATOM 1118 CE LYS A 72 -10.240 -9.247 8.054 1.00 0.00 C ATOM 1119 NZ LYS A 72 -10.481 -9.744 9.433 1.00 0.00 N ATOM 0 H LYS A 72 -6.230 -7.020 4.298 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.538 -5.450 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.693 -7.378 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.671 -6.205 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.703 -7.224 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.637 -8.514 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.106 -9.097 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.954 -7.688 8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.080 -8.630 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.185 -10.090 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.365 -10.291 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.690 -10.352 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.557 -8.937 10.085 1.00 0.00 H new ATOM 1133 N ARG A 73 -6.971 -3.915 6.743 1.00 0.00 N ATOM 1134 CA ARG A 73 -6.119 -2.842 7.227 1.00 0.00 C ATOM 1135 C ARG A 73 -5.149 -3.392 8.264 1.00 0.00 C ATOM 1136 O ARG A 73 -5.559 -4.024 9.239 1.00 0.00 O ATOM 1137 CB ARG A 73 -6.963 -1.722 7.841 1.00 0.00 C ATOM 1138 CG ARG A 73 -7.954 -1.095 6.874 1.00 0.00 C ATOM 1139 CD ARG A 73 -8.806 -0.046 7.568 1.00 0.00 C ATOM 1140 NE ARG A 73 -9.787 0.567 6.669 1.00 0.00 N ATOM 1141 CZ ARG A 73 -10.821 1.300 7.091 1.00 0.00 C ATOM 1142 NH1 ARG A 73 -11.024 1.462 8.394 1.00 0.00 N ATOM 1143 NH2 ARG A 73 -11.656 1.853 6.222 1.00 0.00 N ATOM 0 H ARG A 73 -7.868 -3.987 7.224 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.558 -2.430 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.508 -2.119 8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.298 -0.945 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.417 -0.639 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.596 -1.869 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.326 -0.504 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.159 0.730 7.977 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.674 0.426 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.392 1.028 9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.812 2.021 8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.512 1.720 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.442 2.411 6.555 1.00 0.00 H new ATOM 1157 N GLY A 74 -3.868 -3.153 8.047 1.00 0.00 N ATOM 1158 CA GLY A 74 -2.846 -3.706 8.905 1.00 0.00 C ATOM 1159 C GLY A 74 -2.348 -5.033 8.380 1.00 0.00 C ATOM 1160 O GLY A 74 -1.858 -5.869 9.141 1.00 0.00 O ATOM 0 H GLY A 74 -3.515 -2.578 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.013 -3.007 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.244 -3.837 9.911 1.00 0.00 H new ATOM 1164 N GLU A 75 -2.460 -5.219 7.071 1.00 0.00 N ATOM 1165 CA GLU A 75 -2.158 -6.502 6.447 1.00 0.00 C ATOM 1166 C GLU A 75 -0.723 -6.532 5.912 1.00 0.00 C ATOM 1167 O GLU A 75 -0.105 -5.489 5.701 1.00 0.00 O ATOM 1168 CB GLU A 75 -3.175 -6.792 5.329 1.00 0.00 C ATOM 1169 CG GLU A 75 -3.067 -8.184 4.738 1.00 0.00 C ATOM 1170 CD GLU A 75 -3.056 -9.258 5.799 1.00 0.00 C ATOM 1171 OE1 GLU A 75 -4.140 -9.633 6.289 1.00 0.00 O ATOM 1172 OE2 GLU A 75 -1.954 -9.714 6.159 1.00 0.00 O ATOM 0 H GLU A 75 -2.759 -4.495 6.418 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.238 -7.284 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.182 -6.654 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.042 -6.060 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.904 -8.354 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.156 -8.254 4.144 1.00 0.00 H new ATOM 1179 N LYS A 76 -0.202 -7.732 5.703 1.00 0.00 N ATOM 1180 CA LYS A 76 1.167 -7.931 5.248 1.00 0.00 C ATOM 1181 C LYS A 76 1.160 -8.631 3.887 1.00 0.00 C ATOM 1182 O LYS A 76 0.791 -9.801 3.791 1.00 0.00 O ATOM 1183 CB LYS A 76 1.913 -8.780 6.283 1.00 0.00 C ATOM 1184 CG LYS A 76 3.376 -9.030 5.967 1.00 0.00 C ATOM 1185 CD LYS A 76 3.950 -10.093 6.889 1.00 0.00 C ATOM 1186 CE LYS A 76 5.408 -10.386 6.580 1.00 0.00 C ATOM 1187 NZ LYS A 76 6.321 -9.326 7.088 1.00 0.00 N ATOM 0 H LYS A 76 -0.719 -8.600 5.845 1.00 0.00 H new ATOM 0 HA LYS A 76 1.670 -6.970 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.845 -8.288 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.407 -9.741 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.480 -9.347 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.940 -8.104 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.858 -9.764 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.368 -11.009 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.685 -11.343 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.535 -10.485 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.987 -9.052 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.764 -8.497 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.852 -9.688 7.906 1.00 0.00 H new ATOM 1201 N ILE A 77 1.561 -7.925 2.835 1.00 0.00 N ATOM 1202 CA ILE A 77 1.443 -8.470 1.487 1.00 0.00 C ATOM 1203 C ILE A 77 2.718 -8.312 0.669 1.00 0.00 C ATOM 1204 O ILE A 77 3.669 -7.642 1.074 1.00 0.00 O ATOM 1205 CB ILE A 77 0.290 -7.816 0.695 1.00 0.00 C ATOM 1206 CG1 ILE A 77 0.510 -6.307 0.564 1.00 0.00 C ATOM 1207 CG2 ILE A 77 -1.044 -8.110 1.356 1.00 0.00 C ATOM 1208 CD1 ILE A 77 -0.510 -5.623 -0.323 1.00 0.00 C ATOM 0 H ILE A 77 1.964 -6.989 2.887 1.00 0.00 H new ATOM 0 HA ILE A 77 1.241 -9.531 1.635 1.00 0.00 H new ATOM 0 HB ILE A 77 0.277 -8.244 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.478 -5.856 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.508 -6.127 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.845 -7.641 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.204 -9.188 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.043 -7.713 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.293 -4.556 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.463 -6.048 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.508 -5.773 0.088 1.00 0.00 H new ATOM 1220 N LYS A 78 2.701 -8.944 -0.493 1.00 0.00 N ATOM 1221 CA LYS A 78 3.776 -8.860 -1.465 1.00 0.00 C ATOM 1222 C LYS A 78 3.175 -8.610 -2.846 1.00 0.00 C ATOM 1223 O LYS A 78 2.495 -9.473 -3.395 1.00 0.00 O ATOM 1224 CB LYS A 78 4.573 -10.163 -1.460 1.00 0.00 C ATOM 1225 CG LYS A 78 5.547 -10.304 -2.616 1.00 0.00 C ATOM 1226 CD LYS A 78 6.068 -11.725 -2.699 1.00 0.00 C ATOM 1227 CE LYS A 78 6.820 -11.977 -3.991 1.00 0.00 C ATOM 1228 NZ LYS A 78 7.102 -13.423 -4.172 1.00 0.00 N ATOM 0 H LYS A 78 1.928 -9.539 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 78 4.448 -8.040 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.126 -10.233 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.877 -11.001 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.053 -10.036 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.379 -9.612 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.726 -11.921 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.234 -12.423 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.235 -11.609 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.756 -11.419 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.690 -13.559 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.607 -13.785 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.207 -13.940 -4.286 1.00 0.00 H new ATOM 1242 N VAL A 79 3.404 -7.429 -3.395 1.00 0.00 N ATOM 1243 CA VAL A 79 2.766 -7.043 -4.647 1.00 0.00 C ATOM 1244 C VAL A 79 3.743 -7.057 -5.816 1.00 0.00 C ATOM 1245 O VAL A 79 4.959 -6.973 -5.627 1.00 0.00 O ATOM 1246 CB VAL A 79 2.129 -5.641 -4.548 1.00 0.00 C ATOM 1247 CG1 VAL A 79 1.044 -5.619 -3.486 1.00 0.00 C ATOM 1248 CG2 VAL A 79 3.182 -4.581 -4.255 1.00 0.00 C ATOM 0 H VAL A 79 4.023 -6.723 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 79 1.988 -7.784 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 79 1.675 -5.411 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.608 -4.622 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.269 -6.341 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.476 -5.879 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.705 -3.603 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.674 -4.808 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.922 -4.572 -5.055 1.00 0.00 H new ATOM 1258 N TRP A 80 3.197 -7.182 -7.020 1.00 0.00 N ATOM 1259 CA TRP A 80 3.977 -7.062 -8.243 1.00 0.00 C ATOM 1260 C TRP A 80 3.484 -5.878 -9.064 1.00 0.00 C ATOM 1261 O TRP A 80 2.303 -5.809 -9.417 1.00 0.00 O ATOM 1262 CB TRP A 80 3.869 -8.326 -9.098 1.00 0.00 C ATOM 1263 CG TRP A 80 4.586 -9.515 -8.543 1.00 0.00 C ATOM 1264 CD1 TRP A 80 5.930 -9.655 -8.368 1.00 0.00 C ATOM 1265 CD2 TRP A 80 3.995 -10.748 -8.127 1.00 0.00 C ATOM 1266 NE1 TRP A 80 6.210 -10.896 -7.849 1.00 0.00 N ATOM 1267 CE2 TRP A 80 5.038 -11.587 -7.693 1.00 0.00 C ATOM 1268 CE3 TRP A 80 2.683 -11.222 -8.074 1.00 0.00 C ATOM 1269 CZ2 TRP A 80 4.806 -12.872 -7.214 1.00 0.00 C ATOM 1270 CZ3 TRP A 80 2.453 -12.496 -7.598 1.00 0.00 C ATOM 1271 CH2 TRP A 80 3.511 -13.310 -7.174 1.00 0.00 C ATOM 0 H TRP A 80 2.206 -7.368 -7.174 1.00 0.00 H new ATOM 0 HA TRP A 80 5.018 -6.915 -7.955 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.815 -8.578 -9.220 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.263 -8.112 -10.092 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.667 -8.901 -8.603 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.140 -11.246 -7.618 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.862 -10.601 -8.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 5.620 -13.502 -6.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.442 -12.872 -7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.300 -14.304 -6.808 1.00 0.00 H new ATOM 1282 N PHE A 81 4.378 -4.952 -9.366 1.00 0.00 N ATOM 1283 CA PHE A 81 4.038 -3.840 -10.239 1.00 0.00 C ATOM 1284 C PHE A 81 5.026 -3.746 -11.395 1.00 0.00 C ATOM 1285 O PHE A 81 6.146 -4.259 -11.313 1.00 0.00 O ATOM 1286 CB PHE A 81 3.957 -2.513 -9.467 1.00 0.00 C ATOM 1287 CG PHE A 81 5.154 -2.188 -8.610 1.00 0.00 C ATOM 1288 CD1 PHE A 81 6.356 -1.800 -9.181 1.00 0.00 C ATOM 1289 CD2 PHE A 81 5.064 -2.248 -7.228 1.00 0.00 C ATOM 1290 CE1 PHE A 81 7.442 -1.481 -8.391 1.00 0.00 C ATOM 1291 CE2 PHE A 81 6.150 -1.932 -6.433 1.00 0.00 C ATOM 1292 CZ PHE A 81 7.339 -1.548 -7.016 1.00 0.00 C ATOM 0 H PHE A 81 5.338 -4.947 -9.023 1.00 0.00 H new ATOM 0 HA PHE A 81 3.047 -4.031 -10.650 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.814 -1.704 -10.183 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.072 -2.536 -8.831 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.444 -1.747 -10.256 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.134 -2.545 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.372 -1.179 -8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.067 -1.986 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.189 -1.300 -6.398 1.00 0.00 H new ATOM 1302 N HIS A 82 4.599 -3.108 -12.479 1.00 0.00 N ATOM 1303 CA HIS A 82 5.429 -2.988 -13.674 1.00 0.00 C ATOM 1304 C HIS A 82 6.331 -1.764 -13.594 1.00 0.00 C ATOM 1305 O HIS A 82 7.480 -1.794 -14.041 1.00 0.00 O ATOM 1306 CB HIS A 82 4.564 -2.899 -14.936 1.00 0.00 C ATOM 1307 CG HIS A 82 3.830 -4.162 -15.277 1.00 0.00 C ATOM 1308 ND1 HIS A 82 4.196 -4.987 -16.317 1.00 0.00 N ATOM 1309 CD2 HIS A 82 2.732 -4.728 -14.724 1.00 0.00 C ATOM 1310 CE1 HIS A 82 3.358 -6.002 -16.389 1.00 0.00 C ATOM 1311 NE2 HIS A 82 2.457 -5.870 -15.433 1.00 0.00 N ATOM 0 H HIS A 82 3.683 -2.666 -12.556 1.00 0.00 H new ATOM 0 HA HIS A 82 6.049 -3.883 -13.729 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.839 -2.095 -14.808 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.199 -2.624 -15.778 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.175 -4.350 -13.880 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.401 -6.806 -17.109 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.684 -6.511 -15.252 1.00 0.00 H new ATOM 1320 N THR A 83 5.814 -0.689 -13.024 1.00 0.00 N ATOM 1321 CA THR A 83 6.555 0.556 -12.951 1.00 0.00 C ATOM 1322 C THR A 83 6.145 1.343 -11.707 1.00 0.00 C ATOM 1323 O THR A 83 5.157 1.005 -11.048 1.00 0.00 O ATOM 1324 CB THR A 83 6.330 1.408 -14.226 1.00 0.00 C ATOM 1325 OG1 THR A 83 7.260 2.497 -14.275 1.00 0.00 O ATOM 1326 CG2 THR A 83 4.908 1.951 -14.284 1.00 0.00 C ATOM 0 H THR A 83 4.884 -0.654 -12.606 1.00 0.00 H new ATOM 0 HA THR A 83 7.617 0.319 -12.883 1.00 0.00 H new ATOM 0 HB THR A 83 6.490 0.758 -15.086 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.105 3.023 -15.087 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.782 2.544 -15.190 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.202 1.121 -14.293 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.722 2.577 -13.411 1.00 0.00 H new ATOM 1334 N ARG A 84 6.905 2.382 -11.393 1.00 0.00 N ATOM 1335 CA ARG A 84 6.645 3.202 -10.220 1.00 0.00 C ATOM 1336 C ARG A 84 6.480 4.659 -10.635 1.00 0.00 C ATOM 1337 O ARG A 84 7.283 5.186 -11.403 1.00 0.00 O ATOM 1338 CB ARG A 84 7.795 3.066 -9.216 1.00 0.00 C ATOM 1339 CG ARG A 84 7.558 3.795 -7.902 1.00 0.00 C ATOM 1340 CD ARG A 84 8.783 3.742 -6.999 1.00 0.00 C ATOM 1341 NE ARG A 84 9.205 2.370 -6.714 1.00 0.00 N ATOM 1342 CZ ARG A 84 9.678 1.962 -5.538 1.00 0.00 C ATOM 1343 NH1 ARG A 84 9.815 2.820 -4.530 1.00 0.00 N ATOM 1344 NH2 ARG A 84 10.035 0.692 -5.379 1.00 0.00 N ATOM 0 H ARG A 84 7.713 2.678 -11.940 1.00 0.00 H new ATOM 0 HA ARG A 84 5.725 2.862 -9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.960 2.009 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.709 3.447 -9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.300 4.834 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.707 3.349 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.604 4.281 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.563 4.254 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 84 9.132 1.682 -7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.557 3.799 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.178 2.499 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.946 0.036 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.398 0.373 -4.481 1.00 0.00 H new ATOM 1358 N LYS A 85 5.432 5.301 -10.143 1.00 0.00 N ATOM 1359 CA LYS A 85 5.191 6.702 -10.441 1.00 0.00 C ATOM 1360 C LYS A 85 5.420 7.536 -9.188 1.00 0.00 C ATOM 1361 O LYS A 85 4.538 7.657 -8.337 1.00 0.00 O ATOM 1362 CB LYS A 85 3.762 6.899 -10.963 1.00 0.00 C ATOM 1363 CG LYS A 85 3.480 8.297 -11.498 1.00 0.00 C ATOM 1364 CD LYS A 85 4.357 8.627 -12.695 1.00 0.00 C ATOM 1365 CE LYS A 85 3.985 9.968 -13.303 1.00 0.00 C ATOM 1366 NZ LYS A 85 4.859 10.319 -14.455 1.00 0.00 N ATOM 0 H LYS A 85 4.734 4.872 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 85 5.885 7.027 -11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.573 6.174 -11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.060 6.682 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.431 8.373 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.650 9.030 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.403 8.643 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.257 7.845 -13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.946 9.942 -13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.059 10.744 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.571 11.241 -14.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.848 10.370 -14.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.769 9.592 -15.193 1.00 0.00 H new ATOM 1380 N GLU A 86 6.618 8.080 -9.055 1.00 0.00 N ATOM 1381 CA GLU A 86 6.962 8.865 -7.882 1.00 0.00 C ATOM 1382 C GLU A 86 6.470 10.300 -8.022 1.00 0.00 C ATOM 1383 O GLU A 86 7.199 11.182 -8.470 1.00 0.00 O ATOM 1384 CB GLU A 86 8.470 8.839 -7.641 1.00 0.00 C ATOM 1385 CG GLU A 86 9.014 7.446 -7.385 1.00 0.00 C ATOM 1386 CD GLU A 86 10.512 7.430 -7.193 1.00 0.00 C ATOM 1387 OE1 GLU A 86 10.968 7.630 -6.047 1.00 0.00 O ATOM 1388 OE2 GLU A 86 11.242 7.228 -8.188 1.00 0.00 O ATOM 0 H GLU A 86 7.366 7.993 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 86 6.465 8.418 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.976 9.266 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.705 9.476 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.534 7.030 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.752 6.799 -8.222 1.00 0.00 H new ATOM 1395 N SER A 87 5.213 10.515 -7.671 1.00 0.00 N ATOM 1396 CA SER A 87 4.636 11.847 -7.671 1.00 0.00 C ATOM 1397 C SER A 87 4.950 12.555 -6.356 1.00 0.00 C ATOM 1398 O SER A 87 4.778 13.770 -6.236 1.00 0.00 O ATOM 1399 CB SER A 87 3.124 11.750 -7.881 1.00 0.00 C ATOM 1400 OG SER A 87 2.830 11.017 -9.059 1.00 0.00 O ATOM 0 H SER A 87 4.570 9.778 -7.381 1.00 0.00 H new ATOM 0 HA SER A 87 5.069 12.428 -8.485 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.662 11.266 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.696 12.750 -7.952 1.00 0.00 H new ATOM 0 HG SER A 87 1.859 10.963 -9.177 1.00 0.00 H new ATOM 1406 N ASN A 88 5.436 11.771 -5.389 1.00 0.00 N ATOM 1407 CA ASN A 88 5.752 12.258 -4.043 1.00 0.00 C ATOM 1408 C ASN A 88 4.504 12.822 -3.371 1.00 0.00 C ATOM 1409 O ASN A 88 4.209 14.012 -3.498 1.00 0.00 O ATOM 1410 CB ASN A 88 6.864 13.318 -4.077 1.00 0.00 C ATOM 1411 CG ASN A 88 8.180 12.792 -4.630 1.00 0.00 C ATOM 1412 OD1 ASN A 88 8.492 11.535 -4.353 1.00 0.00 O flip ATOM 1413 ND2 ASN A 88 8.925 13.523 -5.283 1.00 0.00 N flip ATOM 0 H ASN A 88 5.622 10.777 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 88 6.113 11.410 -3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.534 14.161 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 88 7.027 13.696 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.652 14.486 -5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.815 13.165 -5.630 1.00 0.00 H new ATOM 1420 N PRO A 89 3.740 11.980 -2.645 1.00 0.00 N ATOM 1421 CA PRO A 89 4.067 10.559 -2.421 1.00 0.00 C ATOM 1422 C PRO A 89 3.922 9.701 -3.684 1.00 0.00 C ATOM 1423 O PRO A 89 3.131 10.015 -4.574 1.00 0.00 O ATOM 1424 CB PRO A 89 3.051 10.126 -1.362 1.00 0.00 C ATOM 1425 CG PRO A 89 1.894 11.041 -1.558 1.00 0.00 C ATOM 1426 CD PRO A 89 2.479 12.360 -1.984 1.00 0.00 C ATOM 0 HA PRO A 89 5.107 10.431 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.760 9.084 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.463 10.217 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.213 10.653 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.320 11.147 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.814 12.893 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.655 13.015 -1.131 1.00 0.00 H new ATOM 1434 N PRO A 90 4.708 8.616 -3.782 1.00 0.00 N ATOM 1435 CA PRO A 90 4.712 7.734 -4.952 1.00 0.00 C ATOM 1436 C PRO A 90 3.444 6.892 -5.072 1.00 0.00 C ATOM 1437 O PRO A 90 2.779 6.585 -4.078 1.00 0.00 O ATOM 1438 CB PRO A 90 5.931 6.823 -4.726 1.00 0.00 C ATOM 1439 CG PRO A 90 6.678 7.420 -3.580 1.00 0.00 C ATOM 1440 CD PRO A 90 5.659 8.155 -2.762 1.00 0.00 C ATOM 0 HA PRO A 90 4.756 8.311 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 90 5.620 5.803 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.555 6.777 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.169 6.647 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.458 8.096 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.183 7.506 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.101 8.987 -2.214 1.00 0.00 H new ATOM 1448 N SER A 91 3.119 6.520 -6.300 1.00 0.00 N ATOM 1449 CA SER A 91 1.973 5.678 -6.573 1.00 0.00 C ATOM 1450 C SER A 91 2.360 4.593 -7.576 1.00 0.00 C ATOM 1451 O SER A 91 3.367 4.716 -8.280 1.00 0.00 O ATOM 1452 CB SER A 91 0.812 6.525 -7.114 1.00 0.00 C ATOM 1453 OG SER A 91 -0.385 5.769 -7.199 1.00 0.00 O ATOM 0 H SER A 91 3.643 6.794 -7.131 1.00 0.00 H new ATOM 0 HA SER A 91 1.648 5.202 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.655 7.386 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.070 6.912 -8.100 1.00 0.00 H new ATOM 0 HG SER A 91 -0.467 5.196 -6.408 1.00 0.00 H new ATOM 1459 N ALA A 92 1.567 3.535 -7.630 1.00 0.00 N ATOM 1460 CA ALA A 92 1.808 2.422 -8.535 1.00 0.00 C ATOM 1461 C ALA A 92 0.511 1.665 -8.759 1.00 0.00 C ATOM 1462 O ALA A 92 -0.487 1.947 -8.104 1.00 0.00 O ATOM 1463 CB ALA A 92 2.884 1.496 -7.981 1.00 0.00 C ATOM 0 H ALA A 92 0.737 3.423 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 92 2.165 2.810 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.047 0.671 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.813 2.052 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.563 1.101 -7.017 1.00 0.00 H new ATOM 1469 N THR A 93 0.501 0.740 -9.698 1.00 0.00 N ATOM 1470 CA THR A 93 -0.673 -0.082 -9.940 1.00 0.00 C ATOM 1471 C THR A 93 -0.272 -1.550 -10.021 1.00 0.00 C ATOM 1472 O THR A 93 0.680 -1.897 -10.724 1.00 0.00 O ATOM 1473 CB THR A 93 -1.392 0.340 -11.236 1.00 0.00 C ATOM 1474 OG1 THR A 93 -1.616 1.755 -11.226 1.00 0.00 O ATOM 1475 CG2 THR A 93 -2.724 -0.382 -11.379 1.00 0.00 C ATOM 0 H THR A 93 1.293 0.537 -10.308 1.00 0.00 H new ATOM 0 HA THR A 93 -1.363 0.060 -9.109 1.00 0.00 H new ATOM 0 HB THR A 93 -0.758 0.072 -12.081 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.072 2.020 -12.052 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.212 -0.067 -12.301 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.553 -1.458 -11.408 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.363 -0.139 -10.530 1.00 0.00 H new ATOM 1483 N ILE A 94 -0.978 -2.406 -9.293 1.00 0.00 N ATOM 1484 CA ILE A 94 -0.625 -3.818 -9.240 1.00 0.00 C ATOM 1485 C ILE A 94 -1.645 -4.668 -9.986 1.00 0.00 C ATOM 1486 O ILE A 94 -2.837 -4.361 -9.999 1.00 0.00 O ATOM 1487 CB ILE A 94 -0.499 -4.323 -7.786 1.00 0.00 C ATOM 1488 CG1 ILE A 94 -1.821 -4.140 -7.030 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.631 -3.593 -7.073 1.00 0.00 C ATOM 1490 CD1 ILE A 94 -1.818 -4.744 -5.643 1.00 0.00 C ATOM 0 H ILE A 94 -1.792 -2.149 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 94 0.346 -3.917 -9.725 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.267 -5.388 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.040 -3.075 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.626 -4.590 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.710 -3.957 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.569 -3.775 -7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.423 -2.523 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.786 -4.575 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.631 -5.815 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.036 -4.277 -5.045 1.00 0.00 H new ATOM 1502 N GLN A 95 -1.166 -5.728 -10.622 1.00 0.00 N ATOM 1503 CA GLN A 95 -2.038 -6.629 -11.363 1.00 0.00 C ATOM 1504 C GLN A 95 -2.167 -7.968 -10.648 1.00 0.00 C ATOM 1505 O GLN A 95 -3.074 -8.749 -10.930 1.00 0.00 O ATOM 1506 CB GLN A 95 -1.512 -6.844 -12.783 1.00 0.00 C ATOM 1507 CG GLN A 95 -1.504 -5.581 -13.628 1.00 0.00 C ATOM 1508 CD GLN A 95 -0.987 -5.823 -15.031 1.00 0.00 C ATOM 1509 OE1 GLN A 95 -0.156 -6.705 -15.258 1.00 0.00 O ATOM 1510 NE2 GLN A 95 -1.465 -5.039 -15.984 1.00 0.00 N ATOM 0 H GLN A 95 -0.179 -5.985 -10.640 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.024 -6.168 -11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.498 -7.241 -12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.124 -7.598 -13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.515 -5.178 -13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.885 -4.827 -13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.152 -4.320 -15.756 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.147 -5.154 -16.946 1.00 0.00 H new ATOM 1519 N LYS A 96 -1.259 -8.224 -9.716 1.00 0.00 N ATOM 1520 CA LYS A 96 -1.281 -9.458 -8.946 1.00 0.00 C ATOM 1521 C LYS A 96 -0.440 -9.289 -7.685 1.00 0.00 C ATOM 1522 O LYS A 96 0.539 -8.540 -7.686 1.00 0.00 O ATOM 1523 CB LYS A 96 -0.757 -10.623 -9.796 1.00 0.00 C ATOM 1524 CG LYS A 96 -1.030 -11.993 -9.197 1.00 0.00 C ATOM 1525 CD LYS A 96 -0.636 -13.109 -10.152 1.00 0.00 C ATOM 1526 CE LYS A 96 -1.018 -14.477 -9.606 1.00 0.00 C ATOM 1527 NZ LYS A 96 -2.477 -14.581 -9.337 1.00 0.00 N ATOM 0 H LYS A 96 -0.496 -7.591 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.307 -9.684 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.213 -10.572 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.318 -10.505 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.477 -12.100 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.089 -12.079 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.122 -12.953 -11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.439 -13.075 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.725 -15.247 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.465 -14.668 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.749 -15.583 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.698 -14.111 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.005 -14.122 -10.106 1.00 0.00 H new ATOM 1541 N TYR A 97 -0.834 -9.960 -6.610 1.00 0.00 N ATOM 1542 CA TYR A 97 -0.107 -9.872 -5.352 1.00 0.00 C ATOM 1543 C TYR A 97 -0.288 -11.152 -4.545 1.00 0.00 C ATOM 1544 O TYR A 97 -1.179 -11.954 -4.836 1.00 0.00 O ATOM 1545 CB TYR A 97 -0.579 -8.656 -4.537 1.00 0.00 C ATOM 1546 CG TYR A 97 -1.914 -8.831 -3.832 1.00 0.00 C ATOM 1547 CD1 TYR A 97 -3.090 -9.045 -4.544 1.00 0.00 C ATOM 1548 CD2 TYR A 97 -1.991 -8.777 -2.445 1.00 0.00 C ATOM 1549 CE1 TYR A 97 -4.301 -9.198 -3.891 1.00 0.00 C ATOM 1550 CE2 TYR A 97 -3.196 -8.929 -1.787 1.00 0.00 C ATOM 1551 CZ TYR A 97 -4.348 -9.138 -2.514 1.00 0.00 C ATOM 1552 OH TYR A 97 -5.549 -9.289 -1.857 1.00 0.00 O ATOM 0 H TYR A 97 -1.651 -10.570 -6.585 1.00 0.00 H new ATOM 0 HA TYR A 97 0.952 -9.746 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.180 -8.421 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.648 -7.796 -5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.058 -9.092 -5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.091 -8.613 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.205 -9.364 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.235 -8.884 -0.709 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.404 -9.221 -0.890 1.00 0.00 H new ATOM 1562 N GLU A 98 0.553 -11.334 -3.540 1.00 0.00 N ATOM 1563 CA GLU A 98 0.460 -12.488 -2.659 1.00 0.00 C ATOM 1564 C GLU A 98 0.106 -12.036 -1.251 1.00 0.00 C ATOM 1565 O GLU A 98 0.648 -11.044 -0.753 1.00 0.00 O ATOM 1566 CB GLU A 98 1.783 -13.261 -2.622 1.00 0.00 C ATOM 1567 CG GLU A 98 2.241 -13.779 -3.975 1.00 0.00 C ATOM 1568 CD GLU A 98 3.404 -14.748 -3.862 1.00 0.00 C ATOM 1569 OE1 GLU A 98 4.572 -14.303 -3.873 1.00 0.00 O ATOM 1570 OE2 GLU A 98 3.155 -15.967 -3.760 1.00 0.00 O ATOM 0 H GLU A 98 1.313 -10.693 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.319 -13.145 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.558 -12.613 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.679 -14.104 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.407 -14.274 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.533 -12.937 -4.603 1.00 0.00 H new ATOM 1577 N LEU A 99 -0.812 -12.751 -0.619 1.00 0.00 N ATOM 1578 CA LEU A 99 -1.168 -12.475 0.762 1.00 0.00 C ATOM 1579 C LEU A 99 -0.309 -13.337 1.675 1.00 0.00 C ATOM 1580 O LEU A 99 -0.347 -14.567 1.592 1.00 0.00 O ATOM 1581 CB LEU A 99 -2.657 -12.753 1.014 1.00 0.00 C ATOM 1582 CG LEU A 99 -3.181 -12.271 2.370 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -3.030 -10.770 2.490 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -4.637 -12.655 2.562 1.00 0.00 C ATOM 0 H LEU A 99 -1.323 -13.526 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.988 -11.421 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.239 -12.277 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.830 -13.826 0.934 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.590 -12.756 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.407 -10.443 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.977 -10.502 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.597 -10.283 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.982 -12.300 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.240 -12.202 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.736 -13.739 2.516 1.00 0.00 H new ATOM 1596 N LEU A 100 0.481 -12.697 2.521 1.00 0.00 N ATOM 1597 CA LEU A 100 1.405 -13.417 3.380 1.00 0.00 C ATOM 1598 C LEU A 100 0.695 -13.913 4.634 1.00 0.00 C ATOM 1599 O LEU A 100 0.188 -13.126 5.433 1.00 0.00 O ATOM 1600 CB LEU A 100 2.597 -12.528 3.748 1.00 0.00 C ATOM 1601 CG LEU A 100 3.429 -12.043 2.557 1.00 0.00 C ATOM 1602 CD1 LEU A 100 4.549 -11.128 3.022 1.00 0.00 C ATOM 1603 CD2 LEU A 100 3.998 -13.223 1.783 1.00 0.00 C ATOM 0 H LEU A 100 0.501 -11.683 2.631 1.00 0.00 H new ATOM 0 HA LEU A 100 1.779 -14.284 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.229 -11.659 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.247 -13.079 4.427 1.00 0.00 H new ATOM 0 HG LEU A 100 2.774 -11.478 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.128 -10.795 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.124 -10.263 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.200 -11.669 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.586 -12.857 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.635 -13.816 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.182 -13.843 1.413 1.00 0.00 H new