USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 685 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 Single : A 11 SER OG : rot 28:sc= 0.287 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -65:sc= -1.16 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00123 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= 0.322 (180deg=0.117) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.0612 (180deg=-0.413) USER MOD Single : A 42 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.00017) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -59:sc= 1.19 USER MOD Single : A 60 GLN : amide:sc= 0.88 K(o=0.88,f=-0.87) USER MOD Single : A 63 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.018) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 93:sc= 0.125 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0.0026 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -82:sc= 0.474 USER MOD Single : A 93 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.16) USER MOD Single : A 94 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 95 SER OG : rot -48:sc= 1.12 USER MOD Single : A 96 SER OG : rot -125:sc= 0.86 USER MOD Single : A 101 LYS NZ :NH3+ -142:sc= -0.0187 (180deg=-2.33!) USER MOD Single : A 104 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -12.183 6.891 -8.191 1.00 0.00 N ATOM 183 CA SER A 11 -11.986 5.472 -7.900 1.00 0.00 C ATOM 184 C SER A 11 -13.026 4.990 -6.886 1.00 0.00 C ATOM 185 O SER A 11 -12.692 4.485 -5.812 1.00 0.00 O ATOM 186 CB SER A 11 -10.579 5.230 -7.345 1.00 0.00 C ATOM 187 OG SER A 11 -9.630 5.901 -8.163 1.00 0.00 O ATOM 0 HA SER A 11 -12.103 4.913 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.513 5.592 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.364 4.162 -7.320 1.00 0.00 H new ATOM 0 HG SER A 11 -10.051 6.683 -8.578 1.00 0.00 H new ATOM 193 N ASP A 12 -14.297 5.159 -7.242 1.00 0.00 N ATOM 194 CA ASP A 12 -15.388 4.748 -6.363 1.00 0.00 C ATOM 195 C ASP A 12 -15.360 3.239 -6.138 1.00 0.00 C ATOM 196 O ASP A 12 -16.035 2.480 -6.834 1.00 0.00 O ATOM 197 CB ASP A 12 -16.740 5.139 -6.965 1.00 0.00 C ATOM 198 CG ASP A 12 -16.839 4.604 -8.390 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.040 5.018 -9.214 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.714 3.791 -8.637 1.00 0.00 O ATOM 0 H ASP A 12 -14.595 5.574 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.256 5.257 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.550 4.736 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.850 6.223 -6.964 1.00 0.00 H new ATOM 205 N ALA A 13 -14.570 2.815 -5.154 1.00 0.00 N ATOM 206 CA ALA A 13 -14.451 1.395 -4.831 1.00 0.00 C ATOM 207 C ALA A 13 -13.457 1.196 -3.691 1.00 0.00 C ATOM 208 O ALA A 13 -13.718 0.458 -2.741 1.00 0.00 O ATOM 209 CB ALA A 13 -13.977 0.597 -6.052 1.00 0.00 C ATOM 0 H ALA A 13 -14.005 3.431 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.435 1.036 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.896 -0.457 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.695 0.714 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.003 0.967 -6.373 1.00 0.00 H new ATOM 215 N CYS A 14 -12.314 1.867 -3.798 1.00 0.00 N ATOM 216 CA CYS A 14 -11.279 1.764 -2.771 1.00 0.00 C ATOM 217 C CYS A 14 -11.653 2.573 -1.525 1.00 0.00 C ATOM 218 O CYS A 14 -11.090 2.365 -0.451 1.00 0.00 O ATOM 219 CB CYS A 14 -9.937 2.270 -3.311 1.00 0.00 C ATOM 220 SG CYS A 14 -8.977 0.878 -3.962 1.00 0.00 S ATOM 0 H CYS A 14 -12.081 2.483 -4.577 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.192 0.712 -2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.105 3.007 -4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.380 2.769 -2.518 1.00 0.00 H new ATOM 225 N LYS A 15 -12.604 3.497 -1.669 1.00 0.00 N ATOM 226 CA LYS A 15 -13.027 4.315 -0.536 1.00 0.00 C ATOM 227 C LYS A 15 -13.830 3.486 0.467 1.00 0.00 C ATOM 228 O LYS A 15 -13.925 3.838 1.643 1.00 0.00 O ATOM 229 CB LYS A 15 -13.890 5.486 -1.014 1.00 0.00 C ATOM 230 CG LYS A 15 -12.996 6.691 -1.312 1.00 0.00 C ATOM 231 CD LYS A 15 -12.882 7.566 -0.062 1.00 0.00 C ATOM 232 CE LYS A 15 -14.051 8.553 -0.021 1.00 0.00 C ATOM 233 NZ LYS A 15 -13.823 9.626 0.989 1.00 0.00 N ATOM 0 H LYS A 15 -13.088 3.695 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.128 4.695 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.445 5.201 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.625 5.745 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.007 6.355 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.411 7.270 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.887 6.943 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.936 8.107 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.185 9.001 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.972 8.019 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.633 10.278 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.719 9.199 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.957 10.150 0.749 1.00 0.00 H new ATOM 247 N ALA A 16 -14.407 2.378 -0.005 1.00 0.00 N ATOM 248 CA ALA A 16 -15.199 1.507 0.864 1.00 0.00 C ATOM 249 C ALA A 16 -14.378 1.040 2.070 1.00 0.00 C ATOM 250 O ALA A 16 -14.926 0.743 3.131 1.00 0.00 O ATOM 251 CB ALA A 16 -15.686 0.283 0.087 1.00 0.00 C ATOM 0 H ALA A 16 -14.341 2.066 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.054 2.082 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.274 -0.356 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.304 0.606 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.828 -0.275 -0.289 1.00 0.00 H new ATOM 257 N GLU A 17 -13.059 0.980 1.895 1.00 0.00 N ATOM 258 CA GLU A 17 -12.174 0.550 2.977 1.00 0.00 C ATOM 259 C GLU A 17 -10.778 1.133 2.784 1.00 0.00 C ATOM 260 O GLU A 17 -10.189 1.695 3.707 1.00 0.00 O ATOM 261 CB GLU A 17 -12.077 -0.978 3.015 1.00 0.00 C ATOM 262 CG GLU A 17 -11.288 -1.415 4.253 1.00 0.00 C ATOM 263 CD GLU A 17 -12.213 -1.436 5.466 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.039 -0.546 5.571 1.00 0.00 O ATOM 265 OE2 GLU A 17 -12.081 -2.343 6.270 1.00 0.00 O ATOM 0 H GLU A 17 -12.583 1.220 1.025 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.592 0.909 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.075 -1.415 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.587 -1.343 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.859 -2.404 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.457 -0.731 4.428 1.00 0.00 H new ATOM 272 N SER A 18 -10.256 0.989 1.570 1.00 0.00 N ATOM 273 CA SER A 18 -8.925 1.500 1.257 1.00 0.00 C ATOM 274 C SER A 18 -8.950 3.025 1.139 1.00 0.00 C ATOM 275 O SER A 18 -8.756 3.589 0.060 1.00 0.00 O ATOM 276 CB SER A 18 -8.418 0.898 -0.056 1.00 0.00 C ATOM 277 OG SER A 18 -8.962 -0.406 -0.213 1.00 0.00 O ATOM 0 H SER A 18 -10.729 0.527 0.793 1.00 0.00 H new ATOM 0 HA SER A 18 -8.254 1.215 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.708 1.530 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.329 0.853 -0.053 1.00 0.00 H new ATOM 0 HG SER A 18 -8.622 -0.990 0.497 1.00 0.00 H new ATOM 283 N GLY A 19 -9.190 3.685 2.267 1.00 0.00 N ATOM 284 CA GLY A 19 -9.236 5.141 2.293 1.00 0.00 C ATOM 285 C GLY A 19 -7.907 5.711 2.778 1.00 0.00 C ATOM 286 O GLY A 19 -7.870 6.675 3.543 1.00 0.00 O ATOM 0 H GLY A 19 -9.355 3.238 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.459 5.521 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.041 5.473 2.948 1.00 0.00 H new ATOM 290 N VAL A 20 -6.817 5.099 2.326 1.00 0.00 N ATOM 291 CA VAL A 20 -5.482 5.545 2.718 1.00 0.00 C ATOM 292 C VAL A 20 -5.248 6.991 2.274 1.00 0.00 C ATOM 293 O VAL A 20 -5.175 7.287 1.081 1.00 0.00 O ATOM 294 CB VAL A 20 -4.413 4.624 2.103 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.488 4.682 0.574 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.017 5.062 2.562 1.00 0.00 C ATOM 0 H VAL A 20 -6.829 4.299 1.693 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.407 5.498 3.804 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.598 3.602 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.728 4.027 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.475 4.355 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.315 5.705 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.267 4.405 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.834 6.088 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.957 5.005 3.649 1.00 0.00 H new ATOM 306 N SER A 21 -5.129 7.884 3.252 1.00 0.00 N ATOM 307 CA SER A 21 -4.899 9.294 2.959 1.00 0.00 C ATOM 308 C SER A 21 -3.537 9.475 2.289 1.00 0.00 C ATOM 309 O SER A 21 -2.918 8.509 1.845 1.00 0.00 O ATOM 310 CB SER A 21 -4.946 10.118 4.249 1.00 0.00 C ATOM 311 OG SER A 21 -3.766 9.876 5.004 1.00 0.00 O ATOM 0 H SER A 21 -5.187 7.659 4.245 1.00 0.00 H new ATOM 0 HA SER A 21 -5.682 9.640 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.030 11.179 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.827 9.851 4.833 1.00 0.00 H new ATOM 0 HG SER A 21 -3.792 10.403 5.830 1.00 0.00 H new ATOM 317 N GLU A 22 -3.075 10.722 2.225 1.00 0.00 N ATOM 318 CA GLU A 22 -1.783 11.015 1.611 1.00 0.00 C ATOM 319 C GLU A 22 -0.699 11.131 2.681 1.00 0.00 C ATOM 320 O GLU A 22 0.182 11.988 2.608 1.00 0.00 O ATOM 321 CB GLU A 22 -1.852 12.324 0.819 1.00 0.00 C ATOM 322 CG GLU A 22 -0.594 12.470 -0.038 1.00 0.00 C ATOM 323 CD GLU A 22 -0.930 13.240 -1.310 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.932 12.917 -1.927 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.181 14.142 -1.649 1.00 0.00 O ATOM 0 H GLU A 22 -3.570 11.537 2.587 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.536 10.197 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.739 12.332 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.940 13.170 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.181 12.993 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.197 11.487 -0.290 1.00 0.00 H new ATOM 332 N GLU A 23 -0.776 10.254 3.680 1.00 0.00 N ATOM 333 CA GLU A 23 0.200 10.261 4.766 1.00 0.00 C ATOM 334 C GLU A 23 1.170 9.094 4.614 1.00 0.00 C ATOM 335 O GLU A 23 2.387 9.277 4.605 1.00 0.00 O ATOM 336 CB GLU A 23 -0.507 10.151 6.119 1.00 0.00 C ATOM 337 CG GLU A 23 0.266 10.953 7.168 1.00 0.00 C ATOM 338 CD GLU A 23 -0.072 12.432 7.029 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.249 12.747 6.962 1.00 0.00 O ATOM 340 OE2 GLU A 23 0.850 13.230 6.992 1.00 0.00 O ATOM 0 H GLU A 23 -1.497 9.537 3.760 1.00 0.00 H new ATOM 0 HA GLU A 23 0.751 11.200 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.527 10.526 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.574 9.106 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.011 10.604 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.338 10.801 7.040 1.00 0.00 H new ATOM 347 N SER A 24 0.616 7.890 4.491 1.00 0.00 N ATOM 348 CA SER A 24 1.440 6.696 4.337 1.00 0.00 C ATOM 349 C SER A 24 2.080 6.674 2.954 1.00 0.00 C ATOM 350 O SER A 24 3.230 6.267 2.792 1.00 0.00 O ATOM 351 CB SER A 24 0.596 5.435 4.515 1.00 0.00 C ATOM 352 OG SER A 24 -0.473 5.708 5.412 1.00 0.00 O ATOM 0 H SER A 24 -0.389 7.717 4.495 1.00 0.00 H new ATOM 0 HA SER A 24 2.217 6.720 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.204 5.107 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.212 4.623 4.901 1.00 0.00 H new ATOM 0 HG SER A 24 -1.018 4.901 5.527 1.00 0.00 H new ATOM 358 N LEU A 25 1.319 7.121 1.958 1.00 0.00 N ATOM 359 CA LEU A 25 1.816 7.153 0.585 1.00 0.00 C ATOM 360 C LEU A 25 3.035 8.067 0.481 1.00 0.00 C ATOM 361 O LEU A 25 3.958 7.808 -0.291 1.00 0.00 O ATOM 362 CB LEU A 25 0.724 7.656 -0.364 1.00 0.00 C ATOM 363 CG LEU A 25 -0.196 6.574 -0.935 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.440 7.225 -1.539 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.549 5.795 -2.021 1.00 0.00 C ATOM 0 H LEU A 25 0.365 7.463 2.074 1.00 0.00 H new ATOM 0 HA LEU A 25 2.102 6.140 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.113 8.386 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.199 8.180 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.495 5.894 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.094 6.453 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.971 7.781 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.143 7.906 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.105 5.024 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.847 6.476 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.436 5.329 -1.591 1.00 0.00 H new ATOM 377 N ASN A 26 3.026 9.137 1.270 1.00 0.00 N ATOM 378 CA ASN A 26 4.137 10.085 1.261 1.00 0.00 C ATOM 379 C ASN A 26 5.380 9.449 1.877 1.00 0.00 C ATOM 380 O ASN A 26 6.502 9.681 1.426 1.00 0.00 O ATOM 381 CB ASN A 26 3.776 11.343 2.054 1.00 0.00 C ATOM 382 CG ASN A 26 4.575 12.527 1.522 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.776 12.635 1.769 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.974 13.432 0.799 1.00 0.00 N ATOM 0 H ASN A 26 2.272 9.369 1.917 1.00 0.00 H new ATOM 0 HA ASN A 26 4.340 10.357 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.708 11.544 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.990 11.192 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.499 14.229 0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.979 13.343 0.594 1.00 0.00 H new ATOM 391 N LYS A 27 5.164 8.644 2.913 1.00 0.00 N ATOM 392 CA LYS A 27 6.271 7.974 3.589 1.00 0.00 C ATOM 393 C LYS A 27 6.957 6.980 2.652 1.00 0.00 C ATOM 394 O LYS A 27 8.139 6.674 2.811 1.00 0.00 O ATOM 395 CB LYS A 27 5.769 7.226 4.827 1.00 0.00 C ATOM 396 CG LYS A 27 5.467 8.230 5.943 1.00 0.00 C ATOM 397 CD LYS A 27 5.816 7.610 7.299 1.00 0.00 C ATOM 398 CE LYS A 27 4.857 8.143 8.366 1.00 0.00 C ATOM 399 NZ LYS A 27 5.526 8.248 9.694 1.00 0.00 N ATOM 0 H LYS A 27 4.242 8.441 3.300 1.00 0.00 H new ATOM 0 HA LYS A 27 6.988 8.738 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.872 6.657 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.519 6.509 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.042 9.143 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.414 8.509 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.747 6.524 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.845 7.850 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.484 9.122 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.993 7.483 8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.850 8.612 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.860 7.308 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.336 8.897 9.624 1.00 0.00 H new ATOM 413 N VAL A 28 6.206 6.479 1.670 1.00 0.00 N ATOM 414 CA VAL A 28 6.759 5.520 0.714 1.00 0.00 C ATOM 415 C VAL A 28 7.937 6.135 -0.042 1.00 0.00 C ATOM 416 O VAL A 28 8.863 5.433 -0.450 1.00 0.00 O ATOM 417 CB VAL A 28 5.686 5.084 -0.293 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.246 3.985 -1.202 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.465 4.545 0.461 1.00 0.00 C ATOM 0 H VAL A 28 5.226 6.718 1.517 1.00 0.00 H new ATOM 0 HA VAL A 28 7.104 4.650 1.273 1.00 0.00 H new ATOM 0 HB VAL A 28 5.393 5.941 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.481 3.678 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.113 4.366 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.542 3.128 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.703 4.235 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.761 3.690 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.062 5.326 1.106 1.00 0.00 H new ATOM 429 N ARG A 29 7.893 7.454 -0.224 1.00 0.00 N ATOM 430 CA ARG A 29 8.965 8.154 -0.933 1.00 0.00 C ATOM 431 C ARG A 29 10.307 7.919 -0.242 1.00 0.00 C ATOM 432 O ARG A 29 11.355 7.877 -0.887 1.00 0.00 O ATOM 433 CB ARG A 29 8.684 9.656 -0.979 1.00 0.00 C ATOM 434 CG ARG A 29 7.784 9.971 -2.175 1.00 0.00 C ATOM 435 CD ARG A 29 7.662 11.486 -2.340 1.00 0.00 C ATOM 436 NE ARG A 29 8.916 12.053 -2.832 1.00 0.00 N ATOM 437 CZ ARG A 29 9.043 13.361 -3.035 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.079 14.028 -3.607 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.131 13.977 -2.662 1.00 0.00 N ATOM 0 H ARG A 29 7.137 8.054 0.105 1.00 0.00 H new ATOM 0 HA ARG A 29 9.007 7.761 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.203 9.975 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.620 10.209 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.198 9.529 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.798 9.531 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.855 11.718 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.401 11.941 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 29 9.706 11.436 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.228 13.546 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.176 15.031 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.885 13.455 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.228 14.980 -2.818 1.00 0.00 H new ATOM 453 N ASN A 30 10.259 7.761 1.078 1.00 0.00 N ATOM 454 CA ASN A 30 11.472 7.523 1.853 1.00 0.00 C ATOM 455 C ASN A 30 11.539 6.062 2.287 1.00 0.00 C ATOM 456 O ASN A 30 10.516 5.388 2.402 1.00 0.00 O ATOM 457 CB ASN A 30 11.500 8.416 3.095 1.00 0.00 C ATOM 458 CG ASN A 30 12.123 9.761 2.741 1.00 0.00 C ATOM 459 OD1 ASN A 30 11.745 10.386 1.751 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.066 10.249 3.499 1.00 0.00 N ATOM 0 H ASN A 30 9.401 7.793 1.629 1.00 0.00 H new ATOM 0 HA ASN A 30 12.330 7.758 1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.489 8.561 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.073 7.936 3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.490 11.148 3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.380 9.731 4.320 1.00 0.00 H new ATOM 467 N ARG A 31 12.755 5.579 2.522 1.00 0.00 N ATOM 468 CA ARG A 31 12.941 4.192 2.939 1.00 0.00 C ATOM 469 C ARG A 31 12.536 4.019 4.404 1.00 0.00 C ATOM 470 O ARG A 31 13.372 3.792 5.280 1.00 0.00 O ATOM 471 CB ARG A 31 14.404 3.770 2.754 1.00 0.00 C ATOM 472 CG ARG A 31 14.464 2.320 2.265 1.00 0.00 C ATOM 473 CD ARG A 31 15.919 1.849 2.229 1.00 0.00 C ATOM 474 NE ARG A 31 16.753 2.795 1.492 1.00 0.00 N ATOM 475 CZ ARG A 31 17.512 3.681 2.131 1.00 0.00 C ATOM 476 NH1 ARG A 31 18.214 3.312 3.167 1.00 0.00 N ATOM 477 NH2 ARG A 31 17.552 4.920 1.722 1.00 0.00 N ATOM 0 H ARG A 31 13.616 6.118 2.433 1.00 0.00 H new ATOM 0 HA ARG A 31 12.308 3.559 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.894 4.427 2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.943 3.869 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.880 1.679 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.022 2.242 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.296 1.741 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.976 0.866 1.761 1.00 0.00 H new ATOM 0 HE ARG A 31 16.753 2.776 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.181 2.344 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.796 3.991 3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.002 5.208 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.134 5.600 2.211 1.00 0.00 H new ATOM 491 N GLU A 32 11.235 4.130 4.658 1.00 0.00 N ATOM 492 CA GLU A 32 10.717 3.987 6.016 1.00 0.00 C ATOM 493 C GLU A 32 9.751 2.808 6.099 1.00 0.00 C ATOM 494 O GLU A 32 9.765 2.043 7.063 1.00 0.00 O ATOM 495 CB GLU A 32 9.989 5.260 6.450 1.00 0.00 C ATOM 496 CG GLU A 32 10.985 6.223 7.098 1.00 0.00 C ATOM 497 CD GLU A 32 10.403 7.631 7.105 1.00 0.00 C ATOM 498 OE1 GLU A 32 9.556 7.896 7.942 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.812 8.425 6.274 1.00 0.00 O ATOM 0 H GLU A 32 10.526 4.317 3.949 1.00 0.00 H new ATOM 0 HA GLU A 32 11.563 3.810 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.517 5.733 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.194 5.015 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.204 5.904 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.927 6.211 6.550 1.00 0.00 H new ATOM 506 N GLU A 33 8.910 2.672 5.074 1.00 0.00 N ATOM 507 CA GLU A 33 7.934 1.583 5.033 1.00 0.00 C ATOM 508 C GLU A 33 6.960 1.692 6.203 1.00 0.00 C ATOM 509 O GLU A 33 7.343 1.562 7.365 1.00 0.00 O ATOM 510 CB GLU A 33 8.637 0.224 5.092 1.00 0.00 C ATOM 511 CG GLU A 33 8.943 -0.255 3.672 1.00 0.00 C ATOM 512 CD GLU A 33 7.767 -1.070 3.145 1.00 0.00 C ATOM 513 OE1 GLU A 33 7.641 -2.217 3.542 1.00 0.00 O ATOM 514 OE2 GLU A 33 7.008 -0.535 2.353 1.00 0.00 O ATOM 0 H GLU A 33 8.884 3.296 4.268 1.00 0.00 H new ATOM 0 HA GLU A 33 7.385 1.664 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.560 0.305 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.005 -0.502 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.128 0.599 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.849 -0.861 3.669 1.00 0.00 H new ATOM 521 N VAL A 34 5.691 1.932 5.879 1.00 0.00 N ATOM 522 CA VAL A 34 4.663 2.057 6.910 1.00 0.00 C ATOM 523 C VAL A 34 3.882 0.751 7.059 1.00 0.00 C ATOM 524 O VAL A 34 3.371 0.439 8.135 1.00 0.00 O ATOM 525 CB VAL A 34 3.689 3.195 6.569 1.00 0.00 C ATOM 526 CG1 VAL A 34 4.462 4.513 6.494 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.002 2.920 5.220 1.00 0.00 C ATOM 0 H VAL A 34 5.353 2.043 4.923 1.00 0.00 H new ATOM 0 HA VAL A 34 5.164 2.283 7.852 1.00 0.00 H new ATOM 0 HB VAL A 34 2.926 3.259 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.775 5.324 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.935 4.713 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.227 4.443 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.314 3.734 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.756 2.849 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.449 1.983 5.278 1.00 0.00 H new ATOM 537 N ASP A 35 3.794 -0.009 5.968 1.00 0.00 N ATOM 538 CA ASP A 35 3.072 -1.281 5.990 1.00 0.00 C ATOM 539 C ASP A 35 1.604 -1.059 6.339 1.00 0.00 C ATOM 540 O ASP A 35 1.221 -1.066 7.509 1.00 0.00 O ATOM 541 CB ASP A 35 3.691 -2.233 7.017 1.00 0.00 C ATOM 542 CG ASP A 35 5.178 -2.399 6.727 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.508 -2.748 5.605 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.967 -2.174 7.630 1.00 0.00 O ATOM 0 H ASP A 35 4.208 0.230 5.067 1.00 0.00 H new ATOM 0 HA ASP A 35 3.145 -1.723 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.548 -1.841 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.192 -3.201 6.978 1.00 0.00 H new ATOM 549 N ASP A 36 0.785 -0.861 5.309 1.00 0.00 N ATOM 550 CA ASP A 36 -0.644 -0.638 5.514 1.00 0.00 C ATOM 551 C ASP A 36 -1.455 -1.307 4.401 1.00 0.00 C ATOM 552 O ASP A 36 -1.018 -1.356 3.251 1.00 0.00 O ATOM 553 CB ASP A 36 -0.955 0.860 5.527 1.00 0.00 C ATOM 554 CG ASP A 36 -0.826 1.395 6.949 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.230 1.220 7.534 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.786 1.971 7.433 1.00 0.00 O ATOM 0 H ASP A 36 1.082 -0.850 4.333 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.918 -1.074 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.271 1.390 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.963 1.036 5.151 1.00 0.00 H new ATOM 561 N PRO A 37 -2.646 -1.833 4.727 1.00 0.00 N ATOM 562 CA PRO A 37 -3.507 -2.501 3.738 1.00 0.00 C ATOM 563 C PRO A 37 -4.142 -1.518 2.756 1.00 0.00 C ATOM 564 O PRO A 37 -4.091 -1.712 1.541 1.00 0.00 O ATOM 565 CB PRO A 37 -4.583 -3.177 4.583 1.00 0.00 C ATOM 566 CG PRO A 37 -4.639 -2.385 5.843 1.00 0.00 C ATOM 567 CD PRO A 37 -3.263 -1.832 6.066 1.00 0.00 C ATOM 0 HA PRO A 37 -2.939 -3.195 3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.546 -3.174 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.331 -4.219 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.371 -1.581 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.945 -3.012 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.302 -0.826 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.696 -2.447 6.765 1.00 0.00 H new ATOM 575 N LYS A 38 -4.743 -0.460 3.298 1.00 0.00 N ATOM 576 CA LYS A 38 -5.394 0.555 2.467 1.00 0.00 C ATOM 577 C LYS A 38 -4.422 1.126 1.431 1.00 0.00 C ATOM 578 O LYS A 38 -4.829 1.560 0.353 1.00 0.00 O ATOM 579 CB LYS A 38 -5.917 1.700 3.335 1.00 0.00 C ATOM 580 CG LYS A 38 -6.903 1.152 4.369 1.00 0.00 C ATOM 581 CD LYS A 38 -7.511 2.313 5.159 1.00 0.00 C ATOM 582 CE LYS A 38 -8.662 1.797 6.025 1.00 0.00 C ATOM 583 NZ LYS A 38 -9.709 2.838 6.216 1.00 0.00 N ATOM 0 H LYS A 38 -4.794 -0.283 4.301 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.224 0.072 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.087 2.197 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.407 2.448 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.690 0.585 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.393 0.465 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.750 2.777 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.873 3.081 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.104 0.916 5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.277 1.484 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.219 2.659 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.262 3.776 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.378 2.807 5.420 1.00 0.00 H new ATOM 597 N LEU A 39 -3.135 1.122 1.771 1.00 0.00 N ATOM 598 CA LEU A 39 -2.116 1.645 0.863 1.00 0.00 C ATOM 599 C LEU A 39 -2.036 0.790 -0.401 1.00 0.00 C ATOM 600 O LEU A 39 -2.174 1.290 -1.518 1.00 0.00 O ATOM 601 CB LEU A 39 -0.744 1.666 1.551 1.00 0.00 C ATOM 602 CG LEU A 39 0.062 2.958 1.376 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.460 2.769 1.966 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.181 3.290 -0.114 1.00 0.00 C ATOM 0 H LEU A 39 -2.776 0.767 2.657 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.396 2.662 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.889 1.490 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.152 0.834 1.168 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.445 3.774 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.034 3.687 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.378 2.532 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.965 1.953 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.754 4.209 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.688 2.474 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.814 3.424 -0.538 1.00 0.00 H new ATOM 616 N LYS A 40 -1.804 -0.506 -0.210 1.00 0.00 N ATOM 617 CA LYS A 40 -1.696 -1.429 -1.337 1.00 0.00 C ATOM 618 C LYS A 40 -3.011 -1.495 -2.111 1.00 0.00 C ATOM 619 O LYS A 40 -3.023 -1.532 -3.341 1.00 0.00 O ATOM 620 CB LYS A 40 -1.340 -2.834 -0.845 1.00 0.00 C ATOM 621 CG LYS A 40 -0.099 -2.767 0.050 1.00 0.00 C ATOM 622 CD LYS A 40 0.525 -4.159 0.167 1.00 0.00 C ATOM 623 CE LYS A 40 1.797 -4.079 1.012 1.00 0.00 C ATOM 624 NZ LYS A 40 1.515 -3.539 2.372 1.00 0.00 N ATOM 0 H LYS A 40 -1.688 -0.939 0.706 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.909 -1.060 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.177 -3.259 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.153 -3.491 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.625 -2.067 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.370 -2.395 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.184 -4.850 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.758 -4.549 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.241 -5.071 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.528 -3.444 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.325 -3.730 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.359 -2.513 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.665 -3.997 2.758 1.00 0.00 H new ATOM 638 N GLU A 41 -4.118 -1.519 -1.375 1.00 0.00 N ATOM 639 CA GLU A 41 -5.439 -1.591 -1.998 1.00 0.00 C ATOM 640 C GLU A 41 -5.713 -0.351 -2.844 1.00 0.00 C ATOM 641 O GLU A 41 -6.137 -0.447 -3.996 1.00 0.00 O ATOM 642 CB GLU A 41 -6.527 -1.706 -0.929 1.00 0.00 C ATOM 643 CG GLU A 41 -6.414 -3.057 -0.221 1.00 0.00 C ATOM 644 CD GLU A 41 -7.608 -3.244 0.709 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.707 -2.898 0.306 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.407 -3.729 1.809 1.00 0.00 O ATOM 0 H GLU A 41 -4.129 -1.490 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.453 -2.473 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.427 -0.896 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.511 -1.605 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.381 -3.863 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.485 -3.105 0.348 1.00 0.00 H new ATOM 653 N HIS A 42 -5.480 0.818 -2.252 1.00 0.00 N ATOM 654 CA HIS A 42 -5.719 2.085 -2.946 1.00 0.00 C ATOM 655 C HIS A 42 -4.944 2.156 -4.261 1.00 0.00 C ATOM 656 O HIS A 42 -5.472 2.587 -5.285 1.00 0.00 O ATOM 657 CB HIS A 42 -5.293 3.261 -2.064 1.00 0.00 C ATOM 658 CG HIS A 42 -5.860 4.538 -2.620 1.00 0.00 C ATOM 659 ND1 HIS A 42 -5.081 5.665 -2.823 1.00 0.00 N ATOM 660 CD2 HIS A 42 -7.127 4.880 -3.021 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.879 6.626 -3.325 1.00 0.00 C ATOM 662 NE2 HIS A 42 -7.138 6.200 -3.466 1.00 0.00 N ATOM 0 H HIS A 42 -5.128 0.916 -1.300 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.786 2.142 -3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.644 3.109 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.206 3.322 -2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.985 4.225 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.543 7.620 -3.582 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.935 6.728 -3.822 1.00 0.00 H new ATOM 670 N ALA A 43 -3.681 1.741 -4.217 1.00 0.00 N ATOM 671 CA ALA A 43 -2.832 1.775 -5.407 1.00 0.00 C ATOM 672 C ALA A 43 -3.434 0.954 -6.545 1.00 0.00 C ATOM 673 O ALA A 43 -3.412 1.370 -7.704 1.00 0.00 O ATOM 674 CB ALA A 43 -1.441 1.225 -5.084 1.00 0.00 C ATOM 0 H ALA A 43 -3.225 1.380 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.758 2.815 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.820 1.257 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.982 1.831 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.528 0.195 -4.739 1.00 0.00 H new ATOM 680 N PHE A 44 -3.968 -0.218 -6.210 1.00 0.00 N ATOM 681 CA PHE A 44 -4.566 -1.090 -7.222 1.00 0.00 C ATOM 682 C PHE A 44 -5.702 -0.373 -7.951 1.00 0.00 C ATOM 683 O PHE A 44 -5.881 -0.533 -9.159 1.00 0.00 O ATOM 684 CB PHE A 44 -5.105 -2.373 -6.581 1.00 0.00 C ATOM 685 CG PHE A 44 -5.550 -3.337 -7.660 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.678 -3.675 -8.704 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.833 -3.895 -7.612 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.092 -4.569 -9.699 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.246 -4.788 -8.608 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.376 -5.126 -9.651 1.00 0.00 C ATOM 0 H PHE A 44 -4.000 -0.584 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.787 -1.348 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.334 -2.834 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.941 -2.138 -5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.687 -3.246 -8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.504 -3.637 -6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.421 -4.829 -10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.237 -5.216 -8.571 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.695 -5.816 -10.418 1.00 0.00 H new ATOM 700 N CYS A 45 -6.462 0.424 -7.208 1.00 0.00 N ATOM 701 CA CYS A 45 -7.572 1.165 -7.800 1.00 0.00 C ATOM 702 C CYS A 45 -7.063 2.162 -8.838 1.00 0.00 C ATOM 703 O CYS A 45 -7.786 2.538 -9.762 1.00 0.00 O ATOM 704 CB CYS A 45 -8.349 1.921 -6.720 1.00 0.00 C ATOM 705 SG CYS A 45 -9.502 0.790 -5.909 1.00 0.00 S ATOM 0 H CYS A 45 -6.333 0.573 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.231 0.445 -8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.660 2.342 -5.988 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.892 2.755 -7.164 1.00 0.00 H new ATOM 710 N ILE A 46 -5.811 2.591 -8.680 1.00 0.00 N ATOM 711 CA ILE A 46 -5.222 3.549 -9.614 1.00 0.00 C ATOM 712 C ILE A 46 -4.595 2.818 -10.798 1.00 0.00 C ATOM 713 O ILE A 46 -4.621 3.303 -11.929 1.00 0.00 O ATOM 714 CB ILE A 46 -4.139 4.403 -8.929 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.570 4.793 -7.503 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.904 5.673 -9.749 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.912 5.533 -7.535 1.00 0.00 C ATOM 0 H ILE A 46 -5.193 2.295 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.023 4.202 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.221 3.818 -8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.655 3.899 -6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.809 5.426 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.138 6.281 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.575 5.403 -10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.832 6.242 -9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.203 5.802 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.815 6.437 -8.136 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.673 4.887 -7.972 1.00 0.00 H new ATOM 729 N LEU A 47 -4.032 1.644 -10.524 1.00 0.00 N ATOM 730 CA LEU A 47 -3.399 0.850 -11.575 1.00 0.00 C ATOM 731 C LEU A 47 -4.427 0.465 -12.640 1.00 0.00 C ATOM 732 O LEU A 47 -4.185 0.609 -13.838 1.00 0.00 O ATOM 733 CB LEU A 47 -2.769 -0.420 -10.984 1.00 0.00 C ATOM 734 CG LEU A 47 -1.245 -0.386 -10.832 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.596 -0.166 -12.204 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.859 0.752 -9.885 1.00 0.00 C ATOM 0 H LEU A 47 -4.000 1.225 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.616 1.453 -12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.211 -0.603 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.036 -1.266 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.895 -1.333 -10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.488 -0.142 -12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.875 -0.980 -12.873 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.939 0.781 -12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.225 0.781 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.207 1.700 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.320 0.587 -8.911 1.00 0.00 H new ATOM 748 N LYS A 48 -5.575 -0.027 -12.185 1.00 0.00 N ATOM 749 CA LYS A 48 -6.636 -0.433 -13.102 1.00 0.00 C ATOM 750 C LYS A 48 -7.173 0.777 -13.863 1.00 0.00 C ATOM 751 O LYS A 48 -7.529 0.682 -15.038 1.00 0.00 O ATOM 752 CB LYS A 48 -7.787 -1.090 -12.335 1.00 0.00 C ATOM 753 CG LYS A 48 -8.417 -2.195 -13.190 1.00 0.00 C ATOM 754 CD LYS A 48 -9.939 -2.160 -13.040 1.00 0.00 C ATOM 755 CE LYS A 48 -10.321 -2.520 -11.603 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.664 -1.980 -11.246 1.00 0.00 N ATOM 0 H LYS A 48 -5.794 -0.154 -11.197 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.215 -1.150 -13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.420 -1.508 -11.398 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.538 -0.343 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.142 -2.060 -14.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.034 -3.168 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.317 -1.168 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.399 -2.861 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.320 -3.604 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.573 -2.124 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.894 -2.241 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.657 -0.944 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.380 -2.378 -11.887 1.00 0.00 H new ATOM 770 N ARG A 49 -7.227 1.916 -13.178 1.00 0.00 N ATOM 771 CA ARG A 49 -7.724 3.143 -13.795 1.00 0.00 C ATOM 772 C ARG A 49 -6.821 3.566 -14.948 1.00 0.00 C ATOM 773 O ARG A 49 -7.289 3.859 -16.048 1.00 0.00 O ATOM 774 CB ARG A 49 -7.782 4.276 -12.765 1.00 0.00 C ATOM 775 CG ARG A 49 -9.149 4.277 -12.061 1.00 0.00 C ATOM 776 CD ARG A 49 -9.813 5.648 -12.214 1.00 0.00 C ATOM 777 NE ARG A 49 -10.316 5.828 -13.573 1.00 0.00 N ATOM 778 CZ ARG A 49 -10.506 7.044 -14.078 1.00 0.00 C ATOM 779 NH1 ARG A 49 -11.459 7.803 -13.611 1.00 0.00 N ATOM 780 NH2 ARG A 49 -9.740 7.478 -15.041 1.00 0.00 N ATOM 0 H ARG A 49 -6.936 2.016 -12.205 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.727 2.945 -14.174 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.986 4.152 -12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.616 5.235 -13.257 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.788 3.504 -12.488 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.024 4.040 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.633 5.742 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.095 6.434 -11.979 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.525 5.009 -14.144 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.058 7.464 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.605 8.735 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.995 6.885 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.886 8.410 -15.428 1.00 0.00 H new ATOM 794 N ALA A 50 -5.517 3.596 -14.682 1.00 0.00 N ATOM 795 CA ALA A 50 -4.547 3.986 -15.703 1.00 0.00 C ATOM 796 C ALA A 50 -4.617 3.047 -16.905 1.00 0.00 C ATOM 797 O ALA A 50 -4.331 3.442 -18.035 1.00 0.00 O ATOM 798 CB ALA A 50 -3.129 3.957 -15.131 1.00 0.00 C ATOM 0 H ALA A 50 -5.110 3.358 -13.777 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.792 4.999 -16.024 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.419 4.250 -15.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.060 4.651 -14.293 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.896 2.949 -14.787 1.00 0.00 H new ATOM 804 N GLY A 51 -5.000 1.799 -16.649 1.00 0.00 N ATOM 805 CA GLY A 51 -5.102 0.811 -17.717 1.00 0.00 C ATOM 806 C GLY A 51 -3.791 0.048 -17.871 1.00 0.00 C ATOM 807 O GLY A 51 -3.414 -0.354 -18.971 1.00 0.00 O ATOM 0 H GLY A 51 -5.242 1.451 -15.721 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.911 0.114 -17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.353 1.306 -18.655 1.00 0.00 H new ATOM 811 N PHE A 52 -3.102 -0.145 -16.750 1.00 0.00 N ATOM 812 CA PHE A 52 -1.829 -0.861 -16.761 1.00 0.00 C ATOM 813 C PHE A 52 -2.041 -2.330 -16.409 1.00 0.00 C ATOM 814 O PHE A 52 -1.324 -3.208 -16.889 1.00 0.00 O ATOM 815 CB PHE A 52 -0.862 -0.241 -15.750 1.00 0.00 C ATOM 816 CG PHE A 52 -0.120 0.901 -16.400 1.00 0.00 C ATOM 817 CD1 PHE A 52 0.676 0.668 -17.528 1.00 0.00 C ATOM 818 CD2 PHE A 52 -0.228 2.194 -15.875 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.364 1.729 -18.130 1.00 0.00 C ATOM 820 CE2 PHE A 52 0.458 3.255 -16.478 1.00 0.00 C ATOM 821 CZ PHE A 52 1.254 3.022 -17.605 1.00 0.00 C ATOM 0 H PHE A 52 -3.399 0.181 -15.830 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.407 -0.786 -17.763 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.410 0.116 -14.878 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.157 -0.993 -15.397 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.759 -0.329 -17.934 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.841 2.373 -15.004 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.979 1.550 -18.999 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.373 4.253 -16.074 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.784 3.840 -18.070 1.00 0.00 H new ATOM 831 N ILE A 53 -3.034 -2.585 -15.562 1.00 0.00 N ATOM 832 CA ILE A 53 -3.336 -3.951 -15.144 1.00 0.00 C ATOM 833 C ILE A 53 -4.829 -4.241 -15.329 1.00 0.00 C ATOM 834 O ILE A 53 -5.671 -3.366 -15.128 1.00 0.00 O ATOM 835 CB ILE A 53 -2.927 -4.148 -13.674 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.040 -5.627 -13.297 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.822 -3.316 -12.747 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.132 -5.918 -12.097 1.00 0.00 C ATOM 0 H ILE A 53 -3.638 -1.871 -15.155 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.770 -4.648 -15.762 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.895 -3.817 -13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.073 -5.873 -13.053 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.754 -6.252 -14.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.516 -3.469 -11.712 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.727 -2.260 -13.001 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.860 -3.626 -12.869 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.212 -6.971 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.099 -5.687 -12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.439 -5.303 -11.251 1.00 0.00 H new ATOM 850 N ASP A 54 -5.147 -5.473 -15.720 1.00 0.00 N ATOM 851 CA ASP A 54 -6.544 -5.847 -15.931 1.00 0.00 C ATOM 852 C ASP A 54 -7.161 -6.394 -14.647 1.00 0.00 C ATOM 853 O ASP A 54 -6.464 -6.901 -13.768 1.00 0.00 O ATOM 854 CB ASP A 54 -6.667 -6.904 -17.034 1.00 0.00 C ATOM 855 CG ASP A 54 -5.737 -8.081 -16.743 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.409 -8.289 -15.586 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.371 -8.762 -17.688 1.00 0.00 O ATOM 0 H ASP A 54 -4.471 -6.217 -15.894 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.079 -4.947 -16.233 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.697 -7.253 -17.100 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.417 -6.464 -17.999 1.00 0.00 H new ATOM 862 N ALA A 55 -8.484 -6.278 -14.556 1.00 0.00 N ATOM 863 CA ALA A 55 -9.220 -6.753 -13.383 1.00 0.00 C ATOM 864 C ALA A 55 -8.925 -8.226 -13.082 1.00 0.00 C ATOM 865 O ALA A 55 -9.128 -8.689 -11.960 1.00 0.00 O ATOM 866 CB ALA A 55 -10.725 -6.587 -13.599 1.00 0.00 C ATOM 0 H ALA A 55 -9.069 -5.860 -15.279 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.892 -6.152 -12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.260 -6.944 -12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.955 -5.534 -13.761 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.033 -7.164 -14.471 1.00 0.00 H new ATOM 872 N SER A 56 -8.459 -8.964 -14.092 1.00 0.00 N ATOM 873 CA SER A 56 -8.160 -10.385 -13.904 1.00 0.00 C ATOM 874 C SER A 56 -6.707 -10.611 -13.475 1.00 0.00 C ATOM 875 O SER A 56 -6.169 -11.707 -13.638 1.00 0.00 O ATOM 876 CB SER A 56 -8.417 -11.157 -15.198 1.00 0.00 C ATOM 877 OG SER A 56 -8.175 -12.540 -14.975 1.00 0.00 O ATOM 0 H SER A 56 -8.283 -8.610 -15.032 1.00 0.00 H new ATOM 0 HA SER A 56 -8.816 -10.747 -13.113 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.444 -11.004 -15.528 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.769 -10.786 -15.992 1.00 0.00 H new ATOM 0 HG SER A 56 -7.248 -12.667 -14.683 1.00 0.00 H new ATOM 883 N GLY A 57 -6.075 -9.578 -12.918 1.00 0.00 N ATOM 884 CA GLY A 57 -4.689 -9.696 -12.465 1.00 0.00 C ATOM 885 C GLY A 57 -3.767 -10.118 -13.605 1.00 0.00 C ATOM 886 O GLY A 57 -3.605 -11.306 -13.887 1.00 0.00 O ATOM 0 H GLY A 57 -6.495 -8.660 -12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.355 -8.742 -12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.629 -10.425 -11.657 1.00 0.00 H new ATOM 890 N GLU A 58 -3.159 -9.128 -14.252 1.00 0.00 N ATOM 891 CA GLU A 58 -2.245 -9.395 -15.359 1.00 0.00 C ATOM 892 C GLU A 58 -1.338 -8.190 -15.586 1.00 0.00 C ATOM 893 O GLU A 58 -1.769 -7.158 -16.100 1.00 0.00 O ATOM 894 CB GLU A 58 -3.022 -9.688 -16.643 1.00 0.00 C ATOM 895 CG GLU A 58 -2.249 -10.700 -17.491 1.00 0.00 C ATOM 896 CD GLU A 58 -1.256 -9.963 -18.382 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.662 -9.003 -19.018 1.00 0.00 O ATOM 898 OE2 GLU A 58 -0.106 -10.367 -18.416 1.00 0.00 O ATOM 0 H GLU A 58 -3.281 -8.140 -14.031 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.643 -10.267 -15.102 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.010 -10.080 -16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.174 -8.767 -17.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.723 -11.404 -16.846 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.940 -11.282 -18.102 1.00 0.00 H new ATOM 905 N PHE A 59 -0.079 -8.331 -15.185 1.00 0.00 N ATOM 906 CA PHE A 59 0.884 -7.244 -15.334 1.00 0.00 C ATOM 907 C PHE A 59 1.215 -7.000 -16.804 1.00 0.00 C ATOM 908 O PHE A 59 1.343 -7.934 -17.595 1.00 0.00 O ATOM 909 CB PHE A 59 2.178 -7.563 -14.575 1.00 0.00 C ATOM 910 CG PHE A 59 2.691 -8.926 -14.982 1.00 0.00 C ATOM 911 CD1 PHE A 59 3.393 -9.080 -16.183 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.467 -10.035 -14.156 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.871 -10.341 -16.560 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.945 -11.296 -14.532 1.00 0.00 C ATOM 915 CZ PHE A 59 3.646 -11.450 -15.733 1.00 0.00 C ATOM 0 H PHE A 59 0.297 -9.178 -14.758 1.00 0.00 H new ATOM 0 HA PHE A 59 0.429 -6.345 -14.919 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.931 -6.804 -14.787 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.995 -7.540 -13.501 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.566 -8.225 -16.820 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.925 -9.917 -13.229 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.412 -10.459 -17.487 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.773 -12.151 -13.895 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.014 -12.423 -16.023 1.00 0.00 H new ATOM 925 N GLN A 60 1.362 -5.723 -17.153 1.00 0.00 N ATOM 926 CA GLN A 60 1.692 -5.340 -18.524 1.00 0.00 C ATOM 927 C GLN A 60 2.948 -4.473 -18.525 1.00 0.00 C ATOM 928 O GLN A 60 2.876 -3.246 -18.563 1.00 0.00 O ATOM 929 CB GLN A 60 0.539 -4.557 -19.156 1.00 0.00 C ATOM 930 CG GLN A 60 -0.587 -5.522 -19.534 1.00 0.00 C ATOM 931 CD GLN A 60 -0.171 -6.336 -20.754 1.00 0.00 C ATOM 932 OE1 GLN A 60 0.235 -5.777 -21.773 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.249 -7.638 -20.712 1.00 0.00 N ATOM 0 H GLN A 60 1.258 -4.939 -16.508 1.00 0.00 H new ATOM 0 HA GLN A 60 1.865 -6.246 -19.105 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.170 -3.806 -18.458 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.889 -4.025 -20.041 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.807 -6.186 -18.698 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.500 -4.966 -19.748 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.585 -8.102 -19.868 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.026 -8.192 -21.523 1.00 0.00 H new ATOM 942 N LEU A 61 4.098 -5.135 -18.461 1.00 0.00 N ATOM 943 CA LEU A 61 5.381 -4.432 -18.430 1.00 0.00 C ATOM 944 C LEU A 61 5.694 -3.759 -19.766 1.00 0.00 C ATOM 945 O LEU A 61 6.463 -2.800 -19.820 1.00 0.00 O ATOM 946 CB LEU A 61 6.507 -5.410 -18.092 1.00 0.00 C ATOM 947 CG LEU A 61 6.205 -6.401 -16.962 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.446 -7.250 -16.681 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.818 -5.636 -15.693 1.00 0.00 C ATOM 0 H LEU A 61 4.171 -6.152 -18.430 1.00 0.00 H new ATOM 0 HA LEU A 61 5.308 -3.660 -17.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.755 -5.975 -18.990 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.393 -4.836 -17.821 1.00 0.00 H new ATOM 0 HG LEU A 61 5.380 -7.046 -17.263 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.231 -7.954 -15.877 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.722 -7.799 -17.581 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.271 -6.602 -16.384 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.604 -6.344 -14.892 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.641 -4.988 -15.394 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.933 -5.031 -15.889 1.00 0.00 H new ATOM 961 N ASP A 62 5.101 -4.267 -20.843 1.00 0.00 N ATOM 962 CA ASP A 62 5.344 -3.695 -22.168 1.00 0.00 C ATOM 963 C ASP A 62 4.966 -2.213 -22.208 1.00 0.00 C ATOM 964 O ASP A 62 5.507 -1.445 -23.003 1.00 0.00 O ATOM 965 CB ASP A 62 4.539 -4.443 -23.231 1.00 0.00 C ATOM 966 CG ASP A 62 5.064 -5.869 -23.360 1.00 0.00 C ATOM 967 OD1 ASP A 62 4.943 -6.612 -22.401 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.580 -6.196 -24.416 1.00 0.00 O ATOM 0 H ASP A 62 4.459 -5.060 -20.829 1.00 0.00 H new ATOM 0 HA ASP A 62 6.409 -3.795 -22.377 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.483 -4.456 -22.960 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.616 -3.928 -24.189 1.00 0.00 H new ATOM 973 N HIS A 63 4.031 -1.819 -21.345 1.00 0.00 N ATOM 974 CA HIS A 63 3.593 -0.426 -21.297 1.00 0.00 C ATOM 975 C HIS A 63 4.283 0.320 -20.156 1.00 0.00 C ATOM 976 O HIS A 63 4.530 1.522 -20.242 1.00 0.00 O ATOM 977 CB HIS A 63 2.078 -0.349 -21.096 1.00 0.00 C ATOM 978 CG HIS A 63 1.549 0.907 -21.730 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.224 1.038 -22.117 1.00 0.00 N ATOM 980 CD2 HIS A 63 2.151 2.098 -22.052 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.075 2.267 -22.643 1.00 0.00 C ATOM 982 NE2 HIS A 63 1.219 2.955 -22.628 1.00 0.00 N ATOM 0 H HIS A 63 3.568 -2.436 -20.678 1.00 0.00 H new ATOM 0 HA HIS A 63 3.861 0.040 -22.246 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.597 -1.222 -21.538 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.841 -0.359 -20.032 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.191 2.334 -21.884 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.857 2.651 -23.031 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.376 3.904 -22.966 1.00 0.00 H new ATOM 990 N ILE A 64 4.585 -0.409 -19.085 1.00 0.00 N ATOM 991 CA ILE A 64 5.243 0.192 -17.924 1.00 0.00 C ATOM 992 C ILE A 64 6.686 0.559 -18.254 1.00 0.00 C ATOM 993 O ILE A 64 7.149 1.658 -17.947 1.00 0.00 O ATOM 994 CB ILE A 64 5.246 -0.784 -16.744 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.820 -1.261 -16.462 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.798 -0.091 -15.495 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.873 -2.597 -15.719 1.00 0.00 C ATOM 0 H ILE A 64 4.388 -1.406 -18.995 1.00 0.00 H new ATOM 0 HA ILE A 64 4.688 1.091 -17.658 1.00 0.00 H new ATOM 0 HB ILE A 64 5.875 -1.638 -16.996 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.288 -0.520 -15.865 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.270 -1.373 -17.396 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.797 -0.791 -14.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.817 0.245 -15.686 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.173 0.768 -15.249 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.859 -2.941 -15.516 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.390 -3.334 -16.333 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.408 -2.469 -14.778 1.00 0.00 H new ATOM 1009 N LYS A 65 7.397 -0.384 -18.867 1.00 0.00 N ATOM 1010 CA LYS A 65 8.800 -0.168 -19.219 1.00 0.00 C ATOM 1011 C LYS A 65 8.979 1.107 -20.048 1.00 0.00 C ATOM 1012 O LYS A 65 9.904 1.884 -19.820 1.00 0.00 O ATOM 1013 CB LYS A 65 9.343 -1.371 -20.003 1.00 0.00 C ATOM 1014 CG LYS A 65 8.588 -1.530 -21.330 1.00 0.00 C ATOM 1015 CD LYS A 65 8.765 -2.959 -21.859 1.00 0.00 C ATOM 1016 CE LYS A 65 10.248 -3.236 -22.122 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.432 -4.190 -23.253 1.00 0.00 N ATOM 0 H LYS A 65 7.029 -1.299 -19.129 1.00 0.00 H new ATOM 0 HA LYS A 65 9.359 -0.055 -18.290 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.407 -1.237 -20.197 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.239 -2.278 -19.407 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.529 -1.314 -21.185 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.962 -0.813 -22.060 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.375 -3.675 -21.136 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.193 -3.090 -22.778 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.760 -2.300 -22.347 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.709 -3.643 -21.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.447 -4.356 -23.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.964 -5.091 -23.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.014 -3.789 -24.117 1.00 0.00 H new ATOM 1031 N THR A 66 8.083 1.308 -21.009 1.00 0.00 N ATOM 1032 CA THR A 66 8.153 2.488 -21.868 1.00 0.00 C ATOM 1033 C THR A 66 8.005 3.769 -21.049 1.00 0.00 C ATOM 1034 O THR A 66 8.705 4.753 -21.283 1.00 0.00 O ATOM 1035 CB THR A 66 7.048 2.446 -22.925 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.794 1.096 -23.289 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.488 3.236 -24.157 1.00 0.00 C ATOM 0 H THR A 66 7.307 0.678 -21.212 1.00 0.00 H new ATOM 0 HA THR A 66 9.128 2.484 -22.355 1.00 0.00 H new ATOM 0 HB THR A 66 6.139 2.889 -22.519 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.062 0.742 -22.742 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.700 3.205 -24.909 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.681 4.271 -23.876 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.397 2.796 -24.566 1.00 0.00 H new ATOM 1045 N LYS A 67 7.077 3.747 -20.097 1.00 0.00 N ATOM 1046 CA LYS A 67 6.831 4.917 -19.254 1.00 0.00 C ATOM 1047 C LYS A 67 8.047 5.242 -18.390 1.00 0.00 C ATOM 1048 O LYS A 67 8.463 6.397 -18.291 1.00 0.00 O ATOM 1049 CB LYS A 67 5.626 4.673 -18.345 1.00 0.00 C ATOM 1050 CG LYS A 67 4.376 4.465 -19.202 1.00 0.00 C ATOM 1051 CD LYS A 67 3.718 5.817 -19.482 1.00 0.00 C ATOM 1052 CE LYS A 67 2.233 5.611 -19.789 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.726 6.640 -20.740 1.00 0.00 N ATOM 0 H LYS A 67 6.487 2.941 -19.889 1.00 0.00 H new ATOM 0 HA LYS A 67 6.631 5.761 -19.914 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.800 3.798 -17.719 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.484 5.521 -17.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.642 3.977 -20.140 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.675 3.807 -18.688 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.834 6.475 -18.620 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.210 6.305 -20.324 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.082 4.617 -20.211 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.659 5.655 -18.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.717 6.472 -20.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.849 7.586 -20.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.258 6.581 -21.632 1.00 0.00 H new ATOM 1067 N PHE A 68 8.609 4.216 -17.759 1.00 0.00 N ATOM 1068 CA PHE A 68 9.774 4.410 -16.899 1.00 0.00 C ATOM 1069 C PHE A 68 11.008 4.791 -17.719 1.00 0.00 C ATOM 1070 O PHE A 68 11.946 5.396 -17.202 1.00 0.00 O ATOM 1071 CB PHE A 68 10.077 3.129 -16.118 1.00 0.00 C ATOM 1072 CG PHE A 68 9.253 3.095 -14.852 1.00 0.00 C ATOM 1073 CD1 PHE A 68 7.971 2.534 -14.867 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.773 3.619 -13.663 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.208 2.498 -13.693 1.00 0.00 C ATOM 1076 CE2 PHE A 68 9.011 3.583 -12.489 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.729 3.022 -12.504 1.00 0.00 C ATOM 0 H PHE A 68 8.282 3.252 -17.824 1.00 0.00 H new ATOM 0 HA PHE A 68 9.541 5.220 -16.208 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.854 2.256 -16.732 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.138 3.084 -15.874 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.570 2.129 -15.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.763 4.051 -13.651 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.218 2.066 -13.705 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.413 3.988 -11.572 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.142 2.993 -11.598 1.00 0.00 H new ATOM 1087 N LYS A 69 11.006 4.423 -19.001 1.00 0.00 N ATOM 1088 CA LYS A 69 12.141 4.725 -19.871 1.00 0.00 C ATOM 1089 C LYS A 69 12.110 6.179 -20.337 1.00 0.00 C ATOM 1090 O LYS A 69 13.116 6.886 -20.274 1.00 0.00 O ATOM 1091 CB LYS A 69 12.126 3.811 -21.103 1.00 0.00 C ATOM 1092 CG LYS A 69 13.560 3.412 -21.469 1.00 0.00 C ATOM 1093 CD LYS A 69 13.866 2.023 -20.906 1.00 0.00 C ATOM 1094 CE LYS A 69 14.805 1.282 -21.858 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.935 -0.155 -21.483 1.00 0.00 N ATOM 0 H LYS A 69 10.242 3.922 -19.454 1.00 0.00 H new ATOM 0 HA LYS A 69 13.050 4.556 -19.293 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.531 2.920 -20.900 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.656 4.324 -21.942 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.683 3.412 -22.552 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.264 4.141 -21.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.325 2.111 -19.921 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.942 1.459 -20.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.429 1.361 -22.878 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.787 1.754 -21.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.166 -0.715 -22.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.692 -0.263 -20.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.037 -0.491 -21.080 1.00 0.00 H new ATOM 1109 N GLU A 70 10.947 6.615 -20.820 1.00 0.00 N ATOM 1110 CA GLU A 70 10.798 7.986 -21.314 1.00 0.00 C ATOM 1111 C GLU A 70 11.204 9.010 -20.256 1.00 0.00 C ATOM 1112 O GLU A 70 10.833 8.905 -19.086 1.00 0.00 O ATOM 1113 CB GLU A 70 9.351 8.251 -21.738 1.00 0.00 C ATOM 1114 CG GLU A 70 8.401 7.887 -20.596 1.00 0.00 C ATOM 1115 CD GLU A 70 7.006 8.419 -20.906 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.775 9.593 -20.666 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.191 7.646 -21.380 1.00 0.00 O ATOM 0 H GLU A 70 10.102 6.047 -20.880 1.00 0.00 H new ATOM 0 HA GLU A 70 11.458 8.092 -22.175 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.227 9.300 -22.006 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.109 7.665 -22.625 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.369 6.805 -20.466 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.763 8.310 -19.659 1.00 0.00 H new ATOM 1210 N LYS A 77 18.342 0.047 -16.765 1.00 0.00 N ATOM 1211 CA LYS A 77 18.001 -0.901 -15.705 1.00 0.00 C ATOM 1212 C LYS A 77 16.485 -1.029 -15.523 1.00 0.00 C ATOM 1213 O LYS A 77 16.011 -1.964 -14.876 1.00 0.00 O ATOM 1214 CB LYS A 77 18.624 -0.457 -14.380 1.00 0.00 C ATOM 1215 CG LYS A 77 20.129 -0.730 -14.408 1.00 0.00 C ATOM 1216 CD LYS A 77 20.623 -1.022 -12.989 1.00 0.00 C ATOM 1217 CE LYS A 77 21.791 -2.008 -13.048 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.041 -2.636 -11.719 1.00 0.00 N ATOM 0 HA LYS A 77 18.398 -1.872 -16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.439 0.605 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.162 -0.993 -13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.343 -1.577 -15.060 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.658 0.130 -14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.938 -0.098 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.813 -1.437 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.578 -2.783 -13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.690 -1.490 -13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.839 -3.299 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.268 -1.897 -11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.191 -3.150 -11.413 1.00 0.00 H new ATOM 1232 N VAL A 78 15.722 -0.089 -16.088 1.00 0.00 N ATOM 1233 CA VAL A 78 14.260 -0.127 -15.963 1.00 0.00 C ATOM 1234 C VAL A 78 13.708 -1.462 -16.476 1.00 0.00 C ATOM 1235 O VAL A 78 12.920 -2.119 -15.798 1.00 0.00 O ATOM 1236 CB VAL A 78 13.629 1.044 -16.744 1.00 0.00 C ATOM 1237 CG1 VAL A 78 12.095 0.947 -16.738 1.00 0.00 C ATOM 1238 CG2 VAL A 78 14.034 2.362 -16.082 1.00 0.00 C ATOM 0 H VAL A 78 16.084 0.697 -16.629 1.00 0.00 H new ATOM 0 HA VAL A 78 14.002 -0.029 -14.909 1.00 0.00 H new ATOM 0 HB VAL A 78 13.983 1.001 -17.774 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.675 1.784 -17.295 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.788 0.011 -17.204 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.733 0.977 -15.710 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.592 3.195 -16.629 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.680 2.375 -15.051 1.00 0.00 H new ATOM 0 HG23 VAL A 78 15.120 2.456 -16.094 1.00 0.00 H new ATOM 1248 N ASP A 79 14.121 -1.853 -17.681 1.00 0.00 N ATOM 1249 CA ASP A 79 13.646 -3.109 -18.276 1.00 0.00 C ATOM 1250 C ASP A 79 13.813 -4.285 -17.308 1.00 0.00 C ATOM 1251 O ASP A 79 12.895 -5.082 -17.117 1.00 0.00 O ATOM 1252 CB ASP A 79 14.401 -3.418 -19.573 1.00 0.00 C ATOM 1253 CG ASP A 79 15.904 -3.282 -19.349 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.489 -4.204 -18.804 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.448 -2.259 -19.729 1.00 0.00 O ATOM 0 H ASP A 79 14.775 -1.328 -18.261 1.00 0.00 H new ATOM 0 HA ASP A 79 12.586 -2.978 -18.494 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.165 -4.428 -19.909 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.080 -2.737 -20.361 1.00 0.00 H new ATOM 1260 N ASP A 80 14.991 -4.378 -16.701 1.00 0.00 N ATOM 1261 CA ASP A 80 15.265 -5.458 -15.755 1.00 0.00 C ATOM 1262 C ASP A 80 14.503 -5.241 -14.449 1.00 0.00 C ATOM 1263 O ASP A 80 13.959 -6.180 -13.868 1.00 0.00 O ATOM 1264 CB ASP A 80 16.762 -5.534 -15.449 1.00 0.00 C ATOM 1265 CG ASP A 80 17.456 -6.378 -16.512 1.00 0.00 C ATOM 1266 OD1 ASP A 80 16.898 -7.395 -16.891 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.536 -5.996 -16.932 1.00 0.00 O ATOM 0 H ASP A 80 15.764 -3.728 -16.843 1.00 0.00 H new ATOM 0 HA ASP A 80 14.937 -6.391 -16.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.191 -4.532 -15.428 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.921 -5.970 -14.463 1.00 0.00 H new ATOM 1272 N LEU A 81 14.480 -3.992 -13.991 1.00 0.00 N ATOM 1273 CA LEU A 81 13.794 -3.657 -12.745 1.00 0.00 C ATOM 1274 C LEU A 81 12.288 -3.893 -12.862 1.00 0.00 C ATOM 1275 O LEU A 81 11.641 -4.324 -11.910 1.00 0.00 O ATOM 1276 CB LEU A 81 14.051 -2.192 -12.376 1.00 0.00 C ATOM 1277 CG LEU A 81 14.276 -1.919 -10.887 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.737 -2.202 -10.530 1.00 0.00 C ATOM 1279 CD2 LEU A 81 13.952 -0.455 -10.583 1.00 0.00 C ATOM 0 H LEU A 81 14.924 -3.201 -14.458 1.00 0.00 H new ATOM 0 HA LEU A 81 14.189 -4.307 -11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.924 -1.844 -12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.203 -1.596 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 81 13.627 -2.566 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.897 -2.007 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.969 -3.245 -10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.387 -1.556 -11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.112 -0.260 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.601 0.192 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.911 -0.252 -10.836 1.00 0.00 H new ATOM 1291 N VAL A 82 11.736 -3.600 -14.037 1.00 0.00 N ATOM 1292 CA VAL A 82 10.301 -3.781 -14.260 1.00 0.00 C ATOM 1293 C VAL A 82 9.908 -5.250 -14.074 1.00 0.00 C ATOM 1294 O VAL A 82 9.020 -5.571 -13.285 1.00 0.00 O ATOM 1295 CB VAL A 82 9.921 -3.313 -15.679 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.433 -3.568 -15.953 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.201 -1.810 -15.809 1.00 0.00 C ATOM 0 H VAL A 82 12.251 -3.241 -14.841 1.00 0.00 H new ATOM 0 HA VAL A 82 9.761 -3.180 -13.529 1.00 0.00 H new ATOM 0 HB VAL A 82 10.515 -3.873 -16.401 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.185 -3.231 -16.959 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.225 -4.634 -15.866 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.831 -3.020 -15.228 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.933 -1.475 -16.811 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.609 -1.265 -15.074 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.260 -1.621 -15.634 1.00 0.00 H new ATOM 1307 N ALA A 83 10.568 -6.130 -14.817 1.00 0.00 N ATOM 1308 CA ALA A 83 10.268 -7.559 -14.735 1.00 0.00 C ATOM 1309 C ALA A 83 10.568 -8.108 -13.342 1.00 0.00 C ATOM 1310 O ALA A 83 9.858 -8.977 -12.836 1.00 0.00 O ATOM 1311 CB ALA A 83 11.096 -8.336 -15.760 1.00 0.00 C ATOM 0 H ALA A 83 11.307 -5.886 -15.477 1.00 0.00 H new ATOM 0 HA ALA A 83 9.206 -7.683 -14.945 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.862 -9.398 -15.687 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.860 -7.981 -16.763 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.157 -8.184 -15.561 1.00 0.00 H new ATOM 1317 N LYS A 84 11.635 -7.600 -12.733 1.00 0.00 N ATOM 1318 CA LYS A 84 12.033 -8.057 -11.403 1.00 0.00 C ATOM 1319 C LYS A 84 11.132 -7.468 -10.320 1.00 0.00 C ATOM 1320 O LYS A 84 10.934 -8.072 -9.265 1.00 0.00 O ATOM 1321 CB LYS A 84 13.480 -7.649 -11.114 1.00 0.00 C ATOM 1322 CG LYS A 84 14.046 -8.507 -9.974 1.00 0.00 C ATOM 1323 CD LYS A 84 15.029 -9.536 -10.541 1.00 0.00 C ATOM 1324 CE LYS A 84 16.449 -8.971 -10.481 1.00 0.00 C ATOM 1325 NZ LYS A 84 17.420 -9.862 -11.178 1.00 0.00 N ATOM 0 H LYS A 84 12.235 -6.879 -13.133 1.00 0.00 H new ATOM 0 HA LYS A 84 11.940 -9.143 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.088 -7.772 -12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.523 -6.594 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.549 -7.873 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.235 -9.014 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.971 -10.463 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.765 -9.778 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.468 -7.982 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.749 -8.847 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.373 -9.450 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.419 -10.798 -10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.146 -9.960 -12.177 1.00 0.00 H new ATOM 1339 N CYS A 85 10.601 -6.277 -10.580 1.00 0.00 N ATOM 1340 CA CYS A 85 9.738 -5.613 -9.607 1.00 0.00 C ATOM 1341 C CYS A 85 8.279 -6.011 -9.802 1.00 0.00 C ATOM 1342 O CYS A 85 7.510 -6.092 -8.843 1.00 0.00 O ATOM 1343 CB CYS A 85 9.860 -4.094 -9.736 1.00 0.00 C ATOM 1344 SG CYS A 85 11.467 -3.566 -9.095 1.00 0.00 S ATOM 0 H CYS A 85 10.750 -5.757 -11.445 1.00 0.00 H new ATOM 0 HA CYS A 85 10.061 -5.927 -8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.757 -3.797 -10.780 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.057 -3.605 -9.184 1.00 0.00 H new ATOM 1349 N ALA A 86 7.898 -6.253 -11.054 1.00 0.00 N ATOM 1350 CA ALA A 86 6.519 -6.636 -11.365 1.00 0.00 C ATOM 1351 C ALA A 86 6.305 -8.154 -11.262 1.00 0.00 C ATOM 1352 O ALA A 86 5.556 -8.737 -12.047 1.00 0.00 O ATOM 1353 CB ALA A 86 6.151 -6.175 -12.776 1.00 0.00 C ATOM 0 H ALA A 86 8.516 -6.192 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 86 5.877 -6.150 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.124 -6.465 -12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.244 -5.091 -12.840 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.823 -6.640 -13.498 1.00 0.00 H new ATOM 1359 N VAL A 87 6.957 -8.792 -10.290 1.00 0.00 N ATOM 1360 CA VAL A 87 6.805 -10.233 -10.111 1.00 0.00 C ATOM 1361 C VAL A 87 5.369 -10.568 -9.717 1.00 0.00 C ATOM 1362 O VAL A 87 4.776 -9.906 -8.866 1.00 0.00 O ATOM 1363 CB VAL A 87 7.758 -10.751 -9.029 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.196 -10.683 -9.546 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.629 -9.889 -7.767 1.00 0.00 C ATOM 0 H VAL A 87 7.585 -8.341 -9.625 1.00 0.00 H new ATOM 0 HA VAL A 87 7.047 -10.716 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 87 7.502 -11.783 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.876 -11.051 -8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.291 -11.299 -10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.447 -9.650 -9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.309 -10.262 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.882 -8.856 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.605 -9.936 -7.397 1.00 0.00 H new ATOM 1375 N LYS A 88 4.817 -11.600 -10.346 1.00 0.00 N ATOM 1376 CA LYS A 88 3.446 -12.011 -10.050 1.00 0.00 C ATOM 1377 C LYS A 88 3.335 -12.495 -8.608 1.00 0.00 C ATOM 1378 O LYS A 88 3.989 -13.457 -8.205 1.00 0.00 O ATOM 1379 CB LYS A 88 2.990 -13.132 -10.993 1.00 0.00 C ATOM 1380 CG LYS A 88 4.058 -14.230 -11.064 1.00 0.00 C ATOM 1381 CD LYS A 88 3.385 -15.604 -11.094 1.00 0.00 C ATOM 1382 CE LYS A 88 4.401 -16.681 -10.707 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.728 -17.973 -10.388 1.00 0.00 N ATOM 0 H LYS A 88 5.289 -12.162 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 88 2.803 -11.143 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.048 -13.553 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.806 -12.728 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.672 -14.096 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.724 -14.159 -10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.541 -15.622 -10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.989 -15.804 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.107 -16.829 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.978 -16.347 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.443 -18.682 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.073 -17.836 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.198 -18.303 -11.220 1.00 0.00 H new ATOM 1397 N LYS A 89 2.496 -11.812 -7.832 1.00 0.00 N ATOM 1398 CA LYS A 89 2.301 -12.173 -6.431 1.00 0.00 C ATOM 1399 C LYS A 89 1.031 -13.001 -6.268 1.00 0.00 C ATOM 1400 O LYS A 89 0.394 -13.386 -7.249 1.00 0.00 O ATOM 1401 CB LYS A 89 2.190 -10.918 -5.562 1.00 0.00 C ATOM 1402 CG LYS A 89 3.386 -10.002 -5.827 1.00 0.00 C ATOM 1403 CD LYS A 89 4.642 -10.604 -5.195 1.00 0.00 C ATOM 1404 CE LYS A 89 5.762 -9.561 -5.193 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.714 -8.714 -3.967 1.00 0.00 N ATOM 0 H LYS A 89 1.945 -11.013 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 89 3.163 -12.759 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.261 -10.392 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.158 -11.195 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.531 -9.877 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.197 -9.011 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.430 -10.928 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.954 -11.488 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.728 -10.062 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.675 -8.929 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.486 -8.017 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.801 -8.218 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.822 -9.315 -3.125 1.00 0.00 H new ATOM 1419 N ASP A 90 0.670 -13.270 -5.017 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.530 -14.054 -4.734 1.00 0.00 C ATOM 1421 C ASP A 90 -1.774 -13.339 -5.257 1.00 0.00 C ATOM 1422 O ASP A 90 -2.763 -13.975 -5.622 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.679 -14.281 -3.229 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.632 -12.941 -2.502 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.462 -12.465 -2.249 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -1.692 -12.411 -2.208 1.00 0.00 O ATOM 0 H ASP A 90 1.183 -12.962 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.428 -15.016 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.621 -14.787 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.119 -14.930 -2.868 1.00 0.00 H new ATOM 1431 N THR A 91 -1.716 -12.009 -5.290 1.00 0.00 N ATOM 1432 CA THR A 91 -2.847 -11.220 -5.772 1.00 0.00 C ATOM 1433 C THR A 91 -2.357 -10.006 -6.564 1.00 0.00 C ATOM 1434 O THR A 91 -1.229 -9.550 -6.380 1.00 0.00 O ATOM 1435 CB THR A 91 -3.703 -10.738 -4.598 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.875 -10.546 -3.459 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.772 -11.784 -4.282 1.00 0.00 C ATOM 0 H THR A 91 -0.909 -11.461 -4.993 1.00 0.00 H new ATOM 0 HA THR A 91 -3.447 -11.857 -6.422 1.00 0.00 H new ATOM 0 HB THR A 91 -4.185 -9.796 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.729 -11.406 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.381 -11.440 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.406 -11.932 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.292 -12.726 -4.018 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.199 -9.467 -7.459 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.835 -8.301 -8.280 1.00 0.00 C ATOM 1447 C PRO A 92 -2.780 -7.006 -7.470 1.00 0.00 C ATOM 1448 O PRO A 92 -1.832 -6.228 -7.584 1.00 0.00 O ATOM 1449 CB PRO A 92 -3.945 -8.225 -9.324 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.117 -8.897 -8.697 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.567 -9.934 -7.759 1.00 0.00 C ATOM 0 HA PRO A 92 -1.839 -8.412 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.175 -7.191 -9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.652 -8.725 -10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.734 -8.177 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.751 -9.357 -9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.169 -10.010 -6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.558 -10.922 -8.220 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.806 -6.782 -6.654 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.863 -5.574 -5.833 1.00 0.00 C ATOM 1461 C GLN A 93 -2.657 -5.494 -4.895 1.00 0.00 C ATOM 1462 O GLN A 93 -2.242 -4.408 -4.493 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.150 -5.541 -5.004 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.242 -6.799 -4.139 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.698 -7.240 -4.028 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.368 -7.452 -5.039 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.233 -7.392 -2.848 1.00 0.00 N ATOM 0 H GLN A 93 -4.601 -7.412 -6.543 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.848 -4.718 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.164 -4.653 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.016 -5.477 -5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.642 -7.597 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.835 -6.601 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.678 -7.217 -2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.206 -7.686 -2.763 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.094 -6.653 -4.559 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.931 -6.687 -3.678 1.00 0.00 C ATOM 1478 C HIS A 94 0.301 -6.179 -4.421 1.00 0.00 C ATOM 1479 O HIS A 94 0.972 -5.247 -3.979 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.667 -8.115 -3.192 1.00 0.00 C ATOM 1481 CG HIS A 94 -0.066 -8.075 -1.815 1.00 0.00 C ATOM 1482 ND1 HIS A 94 1.166 -8.641 -1.528 1.00 0.00 N ATOM 1483 CD2 HIS A 94 -0.515 -7.538 -0.633 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.414 -8.435 -0.222 1.00 0.00 C ATOM 1485 NE2 HIS A 94 0.420 -7.767 0.372 1.00 0.00 N ATOM 0 H HIS A 94 -2.418 -7.566 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.134 -6.047 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.597 -8.683 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.007 -8.625 -3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.452 -7.017 -0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.307 -8.769 0.285 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.360 -7.486 1.351 1.00 0.00 H new ATOM 1493 N SER A 95 0.585 -6.808 -5.562 1.00 0.00 N ATOM 1494 CA SER A 95 1.737 -6.430 -6.390 1.00 0.00 C ATOM 1495 C SER A 95 1.802 -4.916 -6.614 1.00 0.00 C ATOM 1496 O SER A 95 2.875 -4.355 -6.826 1.00 0.00 O ATOM 1497 CB SER A 95 1.658 -7.123 -7.751 1.00 0.00 C ATOM 1498 OG SER A 95 0.480 -6.702 -8.426 1.00 0.00 O ATOM 0 H SER A 95 0.035 -7.581 -5.936 1.00 0.00 H new ATOM 0 HA SER A 95 2.634 -6.744 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.538 -6.881 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.649 -8.205 -7.621 1.00 0.00 H new ATOM 0 HG SER A 95 -0.286 -6.768 -7.819 1.00 0.00 H new ATOM 1504 N SER A 96 0.639 -4.266 -6.578 1.00 0.00 N ATOM 1505 CA SER A 96 0.565 -2.817 -6.793 1.00 0.00 C ATOM 1506 C SER A 96 1.516 -2.060 -5.865 1.00 0.00 C ATOM 1507 O SER A 96 2.204 -1.131 -6.287 1.00 0.00 O ATOM 1508 CB SER A 96 -0.860 -2.316 -6.553 1.00 0.00 C ATOM 1509 OG SER A 96 -1.121 -2.289 -5.155 1.00 0.00 O ATOM 0 H SER A 96 -0.260 -4.714 -6.403 1.00 0.00 H new ATOM 0 HA SER A 96 0.859 -2.629 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.983 -1.319 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.576 -2.967 -7.055 1.00 0.00 H new ATOM 0 HG SER A 96 -1.924 -2.816 -4.962 1.00 0.00 H new ATOM 1515 N ALA A 97 1.543 -2.462 -4.595 1.00 0.00 N ATOM 1516 CA ALA A 97 2.411 -1.805 -3.617 1.00 0.00 C ATOM 1517 C ALA A 97 3.874 -1.890 -4.046 1.00 0.00 C ATOM 1518 O ALA A 97 4.520 -0.874 -4.301 1.00 0.00 O ATOM 1519 CB ALA A 97 2.250 -2.452 -2.239 1.00 0.00 C ATOM 0 H ALA A 97 0.983 -3.228 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 97 2.117 -0.757 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.903 -1.951 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.214 -2.359 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.518 -3.507 -2.299 1.00 0.00 H new ATOM 1525 N ASP A 98 4.389 -3.115 -4.128 1.00 0.00 N ATOM 1526 CA ASP A 98 5.780 -3.320 -4.535 1.00 0.00 C ATOM 1527 C ASP A 98 6.009 -2.768 -5.940 1.00 0.00 C ATOM 1528 O ASP A 98 7.091 -2.284 -6.265 1.00 0.00 O ATOM 1529 CB ASP A 98 6.128 -4.811 -4.522 1.00 0.00 C ATOM 1530 CG ASP A 98 6.378 -5.262 -3.087 1.00 0.00 C ATOM 1531 OD1 ASP A 98 5.452 -5.196 -2.296 1.00 0.00 O ATOM 1532 OD2 ASP A 98 7.493 -5.667 -2.800 1.00 0.00 O ATOM 0 H ASP A 98 3.874 -3.971 -3.922 1.00 0.00 H new ATOM 0 HA ASP A 98 6.420 -2.793 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.314 -5.389 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.013 -4.994 -5.132 1.00 0.00 H new ATOM 1537 N PHE A 99 4.971 -2.843 -6.765 1.00 0.00 N ATOM 1538 CA PHE A 99 5.051 -2.347 -8.135 1.00 0.00 C ATOM 1539 C PHE A 99 5.383 -0.850 -8.153 1.00 0.00 C ATOM 1540 O PHE A 99 5.897 -0.329 -9.143 1.00 0.00 O ATOM 1541 CB PHE A 99 3.713 -2.592 -8.855 1.00 0.00 C ATOM 1542 CG PHE A 99 3.765 -2.099 -10.288 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.884 -2.358 -11.093 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.681 -1.385 -10.810 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.915 -1.899 -12.416 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.712 -0.927 -12.131 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.828 -1.184 -12.934 1.00 0.00 C ATOM 0 H PHE A 99 4.067 -3.241 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 99 5.847 -2.884 -8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.479 -3.657 -8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.911 -2.083 -8.321 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.721 -2.911 -10.693 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.818 -1.187 -10.191 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.777 -2.096 -13.036 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.874 -0.375 -12.531 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.851 -0.831 -13.954 1.00 0.00 H new ATOM 1557 N PHE A 100 5.081 -0.161 -7.052 1.00 0.00 N ATOM 1558 CA PHE A 100 5.351 1.274 -6.966 1.00 0.00 C ATOM 1559 C PHE A 100 6.517 1.555 -6.013 1.00 0.00 C ATOM 1560 O PHE A 100 7.207 2.566 -6.143 1.00 0.00 O ATOM 1561 CB PHE A 100 4.101 2.018 -6.467 1.00 0.00 C ATOM 1562 CG PHE A 100 3.409 2.696 -7.629 1.00 0.00 C ATOM 1563 CD1 PHE A 100 2.564 1.960 -8.468 1.00 0.00 C ATOM 1564 CD2 PHE A 100 3.611 4.062 -7.863 1.00 0.00 C ATOM 1565 CE1 PHE A 100 1.922 2.590 -9.542 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.970 4.692 -8.936 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.125 3.955 -9.776 1.00 0.00 C ATOM 0 H PHE A 100 4.655 -0.566 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 100 5.616 1.626 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.419 1.318 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.382 2.758 -5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.407 0.907 -8.287 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.262 4.630 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.270 2.022 -10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.127 5.745 -9.116 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.630 4.440 -10.604 1.00 0.00 H new ATOM 1577 N LYS A 101 6.722 0.660 -5.048 1.00 0.00 N ATOM 1578 CA LYS A 101 7.799 0.836 -4.071 1.00 0.00 C ATOM 1579 C LYS A 101 9.116 0.256 -4.585 1.00 0.00 C ATOM 1580 O LYS A 101 10.190 0.798 -4.324 1.00 0.00 O ATOM 1581 CB LYS A 101 7.443 0.138 -2.758 1.00 0.00 C ATOM 1582 CG LYS A 101 6.393 0.958 -2.005 1.00 0.00 C ATOM 1583 CD LYS A 101 5.408 0.012 -1.312 1.00 0.00 C ATOM 1584 CE LYS A 101 4.165 0.793 -0.883 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.436 0.094 0.214 1.00 0.00 N ATOM 0 H LYS A 101 6.165 -0.185 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 101 7.918 1.907 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.061 -0.863 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.336 0.021 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.877 1.600 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.861 1.611 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.127 -0.796 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.879 -0.448 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.456 1.790 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.502 0.923 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.411 0.198 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.686 -0.916 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.702 0.512 1.129 1.00 0.00 H new ATOM 1599 N CYS A 102 9.022 -0.861 -5.301 1.00 0.00 N ATOM 1600 CA CYS A 102 10.214 -1.529 -5.833 1.00 0.00 C ATOM 1601 C CYS A 102 11.087 -0.569 -6.642 1.00 0.00 C ATOM 1602 O CYS A 102 12.220 -0.271 -6.260 1.00 0.00 O ATOM 1603 CB CYS A 102 9.810 -2.705 -6.724 1.00 0.00 C ATOM 1604 SG CYS A 102 11.270 -3.710 -7.091 1.00 0.00 S ATOM 0 H CYS A 102 8.141 -1.323 -5.527 1.00 0.00 H new ATOM 0 HA CYS A 102 10.790 -1.887 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.054 -3.311 -6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.365 -2.339 -7.649 1.00 0.00 H new ATOM 1609 N VAL A 103 10.557 -0.097 -7.768 1.00 0.00 N ATOM 1610 CA VAL A 103 11.308 0.820 -8.629 1.00 0.00 C ATOM 1611 C VAL A 103 11.763 2.064 -7.858 1.00 0.00 C ATOM 1612 O VAL A 103 12.728 2.725 -8.241 1.00 0.00 O ATOM 1613 CB VAL A 103 10.455 1.250 -9.828 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.086 0.017 -10.654 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.174 1.930 -9.334 1.00 0.00 C ATOM 0 H VAL A 103 9.623 -0.329 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 103 12.191 0.287 -8.982 1.00 0.00 H new ATOM 0 HB VAL A 103 11.022 1.950 -10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.479 0.319 -11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.995 -0.469 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.520 -0.680 -10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.570 2.234 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.606 1.232 -8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.433 2.808 -8.742 1.00 0.00 H new ATOM 1625 N HIS A 104 11.063 2.376 -6.767 1.00 0.00 N ATOM 1626 CA HIS A 104 11.416 3.541 -5.959 1.00 0.00 C ATOM 1627 C HIS A 104 12.535 3.193 -4.980 1.00 0.00 C ATOM 1628 O HIS A 104 13.677 3.621 -5.144 1.00 0.00 O ATOM 1629 CB HIS A 104 10.200 4.038 -5.172 1.00 0.00 C ATOM 1630 CG HIS A 104 9.451 5.053 -5.991 1.00 0.00 C ATOM 1631 ND1 HIS A 104 9.430 5.015 -7.377 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.691 6.140 -5.636 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.681 6.049 -7.800 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.206 6.768 -6.779 1.00 0.00 N ATOM 0 H HIS A 104 10.260 1.847 -6.427 1.00 0.00 H new ATOM 0 HA HIS A 104 11.756 4.327 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.547 3.201 -4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.520 4.481 -4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.499 6.459 -4.622 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.487 6.271 -8.839 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.615 7.598 -6.827 1.00 0.00 H new ATOM 1642 N ASP A 105 12.192 2.412 -3.958 1.00 0.00 N ATOM 1643 CA ASP A 105 13.176 2.010 -2.953 1.00 0.00 C ATOM 1644 C ASP A 105 14.013 0.842 -3.464 1.00 0.00 C ATOM 1645 O ASP A 105 13.562 -0.303 -3.484 1.00 0.00 O ATOM 1646 CB ASP A 105 12.478 1.594 -1.658 1.00 0.00 C ATOM 1647 CG ASP A 105 11.564 2.720 -1.187 1.00 0.00 C ATOM 1648 OD1 ASP A 105 10.422 2.749 -1.614 1.00 0.00 O ATOM 1649 OD2 ASP A 105 12.020 3.539 -0.405 1.00 0.00 O ATOM 0 H ASP A 105 11.252 2.048 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 105 13.825 2.863 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.899 0.685 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.218 1.367 -0.890 1.00 0.00 H new