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 Set 1.1: A 91 THR OG1 : rot 138:sc= -1.96 USER MOD Set 1.2: A 93 GLN : amide:sc=-0.00351 X(o=-2,f=-2.4) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 94 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-6.3!) USER MOD Single : A 11 SER OG : rot 22:sc= 0.762 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 143:sc= 0.0595 USER MOD Single : A 21 SER OG : rot -65:sc= 1 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0573 K(o=-0.057,f=-0.75!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.014) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.262) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 117:sc= 1.07 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (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+ -176:sc= 0 (180deg=-0.00207) USER MOD Single : A 95 SER OG : rot -41:sc= 1.26 USER MOD Single : A 96 SER OG : rot -64:sc= -0.325 USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= -0.16 (180deg=-0.642) USER MOD Single : A 104 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -12.501 7.193 -9.017 1.00 0.00 N ATOM 183 CA SER A 11 -12.179 6.066 -8.143 1.00 0.00 C ATOM 184 C SER A 11 -13.199 5.963 -7.011 1.00 0.00 C ATOM 185 O SER A 11 -12.864 5.595 -5.885 1.00 0.00 O ATOM 186 CB SER A 11 -10.780 6.233 -7.545 1.00 0.00 C ATOM 187 OG SER A 11 -9.974 6.988 -8.441 1.00 0.00 O ATOM 0 HA SER A 11 -12.208 5.156 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.842 6.737 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.329 5.257 -7.366 1.00 0.00 H new ATOM 0 HG SER A 11 -10.550 7.509 -9.039 1.00 0.00 H new ATOM 193 N ASP A 12 -14.448 6.299 -7.327 1.00 0.00 N ATOM 194 CA ASP A 12 -15.524 6.248 -6.337 1.00 0.00 C ATOM 195 C ASP A 12 -15.750 4.816 -5.855 1.00 0.00 C ATOM 196 O ASP A 12 -16.650 4.121 -6.324 1.00 0.00 O ATOM 197 CB ASP A 12 -16.825 6.788 -6.933 1.00 0.00 C ATOM 198 CG ASP A 12 -17.137 6.050 -8.230 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.459 6.307 -9.212 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.048 5.239 -8.223 1.00 0.00 O ATOM 0 H ASP A 12 -14.740 6.608 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.227 6.867 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.643 6.660 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.733 7.857 -7.124 1.00 0.00 H new ATOM 205 N ALA A 13 -14.916 4.385 -4.907 1.00 0.00 N ATOM 206 CA ALA A 13 -15.013 3.033 -4.345 1.00 0.00 C ATOM 207 C ALA A 13 -13.754 2.717 -3.545 1.00 0.00 C ATOM 208 O ALA A 13 -13.802 2.038 -2.520 1.00 0.00 O ATOM 209 CB ALA A 13 -15.168 1.974 -5.446 1.00 0.00 C ATOM 0 H ALA A 13 -14.165 4.951 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.894 3.006 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.237 0.985 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.074 2.174 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.304 2.010 -6.109 1.00 0.00 H new ATOM 215 N CYS A 14 -12.626 3.222 -4.035 1.00 0.00 N ATOM 216 CA CYS A 14 -11.343 2.998 -3.374 1.00 0.00 C ATOM 217 C CYS A 14 -11.195 3.892 -2.141 1.00 0.00 C ATOM 218 O CYS A 14 -10.416 3.592 -1.235 1.00 0.00 O ATOM 219 CB CYS A 14 -10.193 3.288 -4.343 1.00 0.00 C ATOM 220 SG CYS A 14 -8.772 2.245 -3.929 1.00 0.00 S ATOM 0 H CYS A 14 -12.573 3.786 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.308 1.955 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.511 3.097 -5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.913 4.340 -4.287 1.00 0.00 H new ATOM 225 N LYS A 15 -11.943 4.996 -2.112 1.00 0.00 N ATOM 226 CA LYS A 15 -11.874 5.921 -0.982 1.00 0.00 C ATOM 227 C LYS A 15 -12.567 5.338 0.249 1.00 0.00 C ATOM 228 O LYS A 15 -12.221 5.667 1.383 1.00 0.00 O ATOM 229 CB LYS A 15 -12.539 7.252 -1.340 1.00 0.00 C ATOM 230 CG LYS A 15 -11.856 8.389 -0.576 1.00 0.00 C ATOM 231 CD LYS A 15 -10.778 9.024 -1.459 1.00 0.00 C ATOM 232 CE LYS A 15 -10.711 10.528 -1.183 1.00 0.00 C ATOM 233 NZ LYS A 15 -10.281 11.283 -2.394 1.00 0.00 N ATOM 0 H LYS A 15 -12.595 5.268 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.820 6.084 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.469 7.428 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.600 7.219 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.591 9.139 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.410 8.008 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.811 8.563 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.003 8.846 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.689 10.884 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.015 10.719 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.245 12.299 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.338 10.959 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.960 11.119 -3.165 1.00 0.00 H new ATOM 247 N ALA A 16 -13.554 4.475 0.016 1.00 0.00 N ATOM 248 CA ALA A 16 -14.294 3.859 1.119 1.00 0.00 C ATOM 249 C ALA A 16 -13.353 3.086 2.042 1.00 0.00 C ATOM 250 O ALA A 16 -13.075 3.510 3.164 1.00 0.00 O ATOM 251 CB ALA A 16 -15.361 2.903 0.581 1.00 0.00 C ATOM 0 H ALA A 16 -13.858 4.188 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.772 4.659 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.901 2.454 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.059 3.454 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.884 2.119 -0.006 1.00 0.00 H new ATOM 257 N GLU A 17 -12.867 1.946 1.557 1.00 0.00 N ATOM 258 CA GLU A 17 -11.960 1.119 2.350 1.00 0.00 C ATOM 259 C GLU A 17 -10.528 1.633 2.236 1.00 0.00 C ATOM 260 O GLU A 17 -9.888 1.957 3.236 1.00 0.00 O ATOM 261 CB GLU A 17 -12.005 -0.335 1.877 1.00 0.00 C ATOM 262 CG GLU A 17 -11.216 -1.217 2.848 1.00 0.00 C ATOM 263 CD GLU A 17 -12.056 -1.476 4.095 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.798 -2.444 4.095 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.943 -0.702 5.032 1.00 0.00 O ATOM 0 H GLU A 17 -13.082 1.577 0.631 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.284 1.173 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.038 -0.677 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.585 -0.415 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.955 -2.161 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.280 -0.729 3.121 1.00 0.00 H new ATOM 272 N SER A 18 -10.031 1.695 1.005 1.00 0.00 N ATOM 273 CA SER A 18 -8.668 2.164 0.768 1.00 0.00 C ATOM 274 C SER A 18 -8.583 3.679 0.949 1.00 0.00 C ATOM 275 O SER A 18 -8.323 4.427 0.004 1.00 0.00 O ATOM 276 CB SER A 18 -8.211 1.793 -0.646 1.00 0.00 C ATOM 277 OG SER A 18 -8.941 0.660 -1.097 1.00 0.00 O ATOM 0 H SER A 18 -10.544 1.430 0.164 1.00 0.00 H new ATOM 0 HA SER A 18 -8.014 1.680 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.368 2.633 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.143 1.576 -0.649 1.00 0.00 H new ATOM 0 HG SER A 18 -9.129 0.752 -2.055 1.00 0.00 H new ATOM 283 N GLY A 19 -8.799 4.125 2.184 1.00 0.00 N ATOM 284 CA GLY A 19 -8.741 5.549 2.491 1.00 0.00 C ATOM 285 C GLY A 19 -7.395 5.906 3.110 1.00 0.00 C ATOM 286 O GLY A 19 -7.313 6.723 4.027 1.00 0.00 O ATOM 0 H GLY A 19 -9.014 3.526 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.895 6.130 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.545 5.812 3.178 1.00 0.00 H new ATOM 290 N VAL A 20 -6.338 5.276 2.598 1.00 0.00 N ATOM 291 CA VAL A 20 -4.989 5.522 3.104 1.00 0.00 C ATOM 292 C VAL A 20 -4.630 7.008 2.995 1.00 0.00 C ATOM 293 O VAL A 20 -3.889 7.543 3.818 1.00 0.00 O ATOM 294 CB VAL A 20 -3.969 4.676 2.321 1.00 0.00 C ATOM 295 CG1 VAL A 20 -3.976 5.080 0.843 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.564 4.883 2.900 1.00 0.00 C ATOM 0 H VAL A 20 -6.389 4.597 1.839 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.959 5.236 4.155 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.245 3.625 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.251 4.476 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.970 4.918 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.712 6.134 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.848 4.281 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.291 5.935 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.554 4.580 3.947 1.00 0.00 H new ATOM 306 N SER A 21 -5.168 7.661 1.964 1.00 0.00 N ATOM 307 CA SER A 21 -4.908 9.086 1.744 1.00 0.00 C ATOM 308 C SER A 21 -3.405 9.357 1.656 1.00 0.00 C ATOM 309 O SER A 21 -2.598 8.431 1.569 1.00 0.00 O ATOM 310 CB SER A 21 -5.516 9.925 2.874 1.00 0.00 C ATOM 311 OG SER A 21 -4.663 9.887 4.012 1.00 0.00 O ATOM 0 H SER A 21 -5.782 7.231 1.272 1.00 0.00 H new ATOM 0 HA SER A 21 -5.373 9.369 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.651 10.955 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.503 9.542 3.134 1.00 0.00 H new ATOM 0 HG SER A 21 -4.630 8.974 4.365 1.00 0.00 H new ATOM 317 N GLU A 22 -3.041 10.637 1.678 1.00 0.00 N ATOM 318 CA GLU A 22 -1.633 11.018 1.601 1.00 0.00 C ATOM 319 C GLU A 22 -0.989 10.970 2.987 1.00 0.00 C ATOM 320 O GLU A 22 -0.480 11.971 3.495 1.00 0.00 O ATOM 321 CB GLU A 22 -1.496 12.430 1.022 1.00 0.00 C ATOM 322 CG GLU A 22 -1.655 12.377 -0.498 1.00 0.00 C ATOM 323 CD GLU A 22 -3.108 12.653 -0.868 1.00 0.00 C ATOM 324 OE1 GLU A 22 -3.590 13.724 -0.540 1.00 0.00 O ATOM 325 OE2 GLU A 22 -3.720 11.787 -1.474 1.00 0.00 O ATOM 0 H GLU A 22 -3.692 11.419 1.748 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.123 10.310 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.251 13.086 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.524 12.848 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.003 13.113 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.353 11.399 -0.872 1.00 0.00 H new ATOM 332 N GLU A 23 -1.015 9.786 3.594 1.00 0.00 N ATOM 333 CA GLU A 23 -0.430 9.605 4.919 1.00 0.00 C ATOM 334 C GLU A 23 0.644 8.524 4.875 1.00 0.00 C ATOM 335 O GLU A 23 1.829 8.796 5.067 1.00 0.00 O ATOM 336 CB GLU A 23 -1.504 9.202 5.931 1.00 0.00 C ATOM 337 CG GLU A 23 -1.142 9.760 7.309 1.00 0.00 C ATOM 338 CD GLU A 23 -1.983 9.066 8.375 1.00 0.00 C ATOM 339 OE1 GLU A 23 -3.173 8.913 8.157 1.00 0.00 O ATOM 340 OE2 GLU A 23 -1.423 8.699 9.396 1.00 0.00 O ATOM 0 H GLU A 23 -1.431 8.945 3.194 1.00 0.00 H new ATOM 0 HA GLU A 23 0.014 10.552 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.476 9.582 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.586 8.116 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.082 9.605 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.317 10.835 7.335 1.00 0.00 H new ATOM 347 N SER A 24 0.216 7.292 4.610 1.00 0.00 N ATOM 348 CA SER A 24 1.150 6.174 4.532 1.00 0.00 C ATOM 349 C SER A 24 2.013 6.300 3.282 1.00 0.00 C ATOM 350 O SER A 24 3.187 5.929 3.279 1.00 0.00 O ATOM 351 CB SER A 24 0.396 4.846 4.487 1.00 0.00 C ATOM 352 OG SER A 24 -0.520 4.788 5.572 1.00 0.00 O ATOM 0 H SER A 24 -0.760 7.045 4.447 1.00 0.00 H new ATOM 0 HA SER A 24 1.783 6.197 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.137 4.749 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.098 4.014 4.544 1.00 0.00 H new ATOM 0 HG SER A 24 -1.006 3.938 5.544 1.00 0.00 H new ATOM 358 N LEU A 25 1.416 6.837 2.220 1.00 0.00 N ATOM 359 CA LEU A 25 2.132 7.018 0.960 1.00 0.00 C ATOM 360 C LEU A 25 3.318 7.959 1.156 1.00 0.00 C ATOM 361 O LEU A 25 4.356 7.816 0.510 1.00 0.00 O ATOM 362 CB LEU A 25 1.198 7.601 -0.103 1.00 0.00 C ATOM 363 CG LEU A 25 0.398 6.574 -0.908 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.773 7.270 -1.603 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.305 5.932 -1.960 1.00 0.00 C ATOM 0 H LEU A 25 0.446 7.152 2.206 1.00 0.00 H new ATOM 0 HA LEU A 25 2.493 6.044 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.499 8.280 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.791 8.198 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 25 0.017 5.804 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.343 6.539 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.420 7.728 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.392 8.040 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.736 5.200 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.686 6.702 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.140 5.435 -1.466 1.00 0.00 H new ATOM 377 N ASN A 26 3.151 8.921 2.059 1.00 0.00 N ATOM 378 CA ASN A 26 4.214 9.883 2.339 1.00 0.00 C ATOM 379 C ASN A 26 5.447 9.169 2.882 1.00 0.00 C ATOM 380 O ASN A 26 6.576 9.461 2.489 1.00 0.00 O ATOM 381 CB ASN A 26 3.744 10.917 3.364 1.00 0.00 C ATOM 382 CG ASN A 26 4.554 12.199 3.203 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.721 12.159 2.815 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.997 13.346 3.480 1.00 0.00 N ATOM 0 H ASN A 26 2.300 9.055 2.605 1.00 0.00 H new ATOM 0 HA ASN A 26 4.467 10.387 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.683 11.125 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.863 10.524 4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.529 14.210 3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.030 13.379 3.802 1.00 0.00 H new ATOM 391 N LYS A 27 5.215 8.225 3.790 1.00 0.00 N ATOM 392 CA LYS A 27 6.313 7.466 4.384 1.00 0.00 C ATOM 393 C LYS A 27 7.055 6.675 3.309 1.00 0.00 C ATOM 394 O LYS A 27 8.265 6.467 3.395 1.00 0.00 O ATOM 395 CB LYS A 27 5.783 6.495 5.442 1.00 0.00 C ATOM 396 CG LYS A 27 5.331 7.281 6.675 1.00 0.00 C ATOM 397 CD LYS A 27 5.099 6.316 7.839 1.00 0.00 C ATOM 398 CE LYS A 27 3.629 5.895 7.869 1.00 0.00 C ATOM 399 NZ LYS A 27 3.289 5.194 9.140 1.00 0.00 N ATOM 0 H LYS A 27 4.287 7.969 4.128 1.00 0.00 H new ATOM 0 HA LYS A 27 6.997 8.173 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.950 5.920 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.559 5.781 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.086 8.019 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.415 7.828 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.737 5.439 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.371 6.793 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.995 6.774 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.419 5.240 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.285 4.922 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.878 4.342 9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.466 5.829 9.945 1.00 0.00 H new ATOM 413 N VAL A 28 6.312 6.240 2.295 1.00 0.00 N ATOM 414 CA VAL A 28 6.907 5.473 1.201 1.00 0.00 C ATOM 415 C VAL A 28 7.961 6.304 0.474 1.00 0.00 C ATOM 416 O VAL A 28 8.924 5.766 -0.072 1.00 0.00 O ATOM 417 CB VAL A 28 5.831 5.042 0.200 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.440 4.083 -0.826 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.695 4.334 0.942 1.00 0.00 C ATOM 0 H VAL A 28 5.309 6.402 2.206 1.00 0.00 H new ATOM 0 HA VAL A 28 7.378 4.588 1.630 1.00 0.00 H new ATOM 0 HB VAL A 28 5.441 5.922 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.673 3.777 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.249 4.584 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.832 3.204 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.930 4.028 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.087 3.455 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.258 5.014 1.673 1.00 0.00 H new ATOM 429 N ARG A 29 7.770 7.624 0.473 1.00 0.00 N ATOM 430 CA ARG A 29 8.712 8.525 -0.193 1.00 0.00 C ATOM 431 C ARG A 29 10.123 8.338 0.361 1.00 0.00 C ATOM 432 O ARG A 29 11.113 8.502 -0.353 1.00 0.00 O ATOM 433 CB ARG A 29 8.290 9.982 0.007 1.00 0.00 C ATOM 434 CG ARG A 29 6.896 10.197 -0.586 1.00 0.00 C ATOM 435 CD ARG A 29 7.018 10.517 -2.076 1.00 0.00 C ATOM 436 NE ARG A 29 7.358 11.923 -2.276 1.00 0.00 N ATOM 437 CZ ARG A 29 6.768 12.642 -3.226 1.00 0.00 C ATOM 438 NH1 ARG A 29 5.518 12.994 -3.097 1.00 0.00 N ATOM 439 NH2 ARG A 29 7.438 12.995 -4.289 1.00 0.00 N ATOM 0 H ARG A 29 6.980 8.089 0.921 1.00 0.00 H new ATOM 0 HA ARG A 29 8.707 8.285 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.287 10.228 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.007 10.648 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.287 9.304 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.391 11.013 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.783 9.885 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.079 10.290 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 29 8.059 12.360 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.993 12.718 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.066 13.546 -3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.415 12.719 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.985 13.547 -5.018 1.00 0.00 H new ATOM 453 N ASN A 30 10.201 7.988 1.642 1.00 0.00 N ATOM 454 CA ASN A 30 11.493 7.775 2.285 1.00 0.00 C ATOM 455 C ASN A 30 11.912 6.313 2.158 1.00 0.00 C ATOM 456 O ASN A 30 11.092 5.441 1.872 1.00 0.00 O ATOM 457 CB ASN A 30 11.424 8.146 3.767 1.00 0.00 C ATOM 458 CG ASN A 30 12.812 8.541 4.259 1.00 0.00 C ATOM 459 OD1 ASN A 30 13.604 9.114 3.510 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.159 8.265 5.487 1.00 0.00 N ATOM 0 H ASN A 30 9.394 7.847 2.249 1.00 0.00 H new ATOM 0 HA ASN A 30 12.226 8.411 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.726 8.971 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.048 7.303 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.086 8.524 5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.503 7.790 6.108 1.00 0.00 H new ATOM 467 N ARG A 31 13.198 6.056 2.371 1.00 0.00 N ATOM 468 CA ARG A 31 13.718 4.694 2.276 1.00 0.00 C ATOM 469 C ARG A 31 13.321 3.886 3.509 1.00 0.00 C ATOM 470 O ARG A 31 14.105 3.726 4.445 1.00 0.00 O ATOM 471 CB ARG A 31 15.244 4.709 2.155 1.00 0.00 C ATOM 472 CG ARG A 31 15.658 5.634 1.008 1.00 0.00 C ATOM 473 CD ARG A 31 16.949 5.114 0.372 1.00 0.00 C ATOM 474 NE ARG A 31 17.728 6.217 -0.184 1.00 0.00 N ATOM 475 CZ ARG A 31 18.809 5.987 -0.925 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.685 5.099 -0.542 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.993 6.649 -2.034 1.00 0.00 N ATOM 0 H ARG A 31 13.894 6.763 2.608 1.00 0.00 H new ATOM 0 HA ARG A 31 13.291 4.231 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.690 5.050 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.615 3.700 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.866 5.681 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.806 6.648 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.541 4.584 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.711 4.397 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 31 17.439 7.178 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.541 4.581 0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.514 4.922 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.308 7.343 -2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.822 6.472 -2.602 1.00 0.00 H new ATOM 491 N GLU A 32 12.092 3.377 3.495 1.00 0.00 N ATOM 492 CA GLU A 32 11.593 2.583 4.615 1.00 0.00 C ATOM 493 C GLU A 32 10.488 1.641 4.149 1.00 0.00 C ATOM 494 O GLU A 32 10.526 0.439 4.410 1.00 0.00 O ATOM 495 CB GLU A 32 11.039 3.495 5.713 1.00 0.00 C ATOM 496 CG GLU A 32 12.183 3.961 6.616 1.00 0.00 C ATOM 497 CD GLU A 32 11.626 4.364 7.977 1.00 0.00 C ATOM 498 OE1 GLU A 32 10.789 5.251 8.013 1.00 0.00 O ATOM 499 OE2 GLU A 32 12.045 3.782 8.963 1.00 0.00 O ATOM 0 H GLU A 32 11.429 3.498 2.729 1.00 0.00 H new ATOM 0 HA GLU A 32 12.425 2.001 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.539 4.355 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.292 2.962 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.916 3.163 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.701 4.804 6.159 1.00 0.00 H new ATOM 506 N GLU A 33 9.504 2.202 3.449 1.00 0.00 N ATOM 507 CA GLU A 33 8.387 1.408 2.940 1.00 0.00 C ATOM 508 C GLU A 33 7.614 0.767 4.090 1.00 0.00 C ATOM 509 O GLU A 33 8.156 0.537 5.170 1.00 0.00 O ATOM 510 CB GLU A 33 8.891 0.307 2.004 1.00 0.00 C ATOM 511 CG GLU A 33 9.728 0.931 0.886 1.00 0.00 C ATOM 512 CD GLU A 33 10.681 -0.116 0.319 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.593 -0.505 1.029 1.00 0.00 O ATOM 514 OE2 GLU A 33 10.485 -0.512 -0.819 1.00 0.00 O ATOM 0 H GLU A 33 9.457 3.195 3.222 1.00 0.00 H new ATOM 0 HA GLU A 33 7.727 2.078 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.489 -0.413 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.048 -0.239 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.077 1.310 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.292 1.781 1.270 1.00 0.00 H new ATOM 521 N VAL A 34 6.339 0.483 3.839 1.00 0.00 N ATOM 522 CA VAL A 34 5.489 -0.134 4.856 1.00 0.00 C ATOM 523 C VAL A 34 4.696 -1.292 4.246 1.00 0.00 C ATOM 524 O VAL A 34 4.934 -1.690 3.106 1.00 0.00 O ATOM 525 CB VAL A 34 4.522 0.904 5.443 1.00 0.00 C ATOM 526 CG1 VAL A 34 5.323 2.052 6.059 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.615 1.460 4.339 1.00 0.00 C ATOM 0 H VAL A 34 5.874 0.667 2.950 1.00 0.00 H new ATOM 0 HA VAL A 34 6.125 -0.517 5.654 1.00 0.00 H new ATOM 0 HB VAL A 34 3.908 0.427 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.638 2.790 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.965 1.664 6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.937 2.521 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.932 2.195 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.226 1.934 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.041 0.646 3.896 1.00 0.00 H new ATOM 537 N ASP A 35 3.753 -1.828 5.016 1.00 0.00 N ATOM 538 CA ASP A 35 2.934 -2.938 4.535 1.00 0.00 C ATOM 539 C ASP A 35 1.505 -2.815 5.067 1.00 0.00 C ATOM 540 O ASP A 35 1.020 -3.674 5.806 1.00 0.00 O ATOM 541 CB ASP A 35 3.535 -4.274 4.979 1.00 0.00 C ATOM 542 CG ASP A 35 4.814 -4.541 4.194 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.724 -4.698 2.987 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.867 -4.584 4.811 1.00 0.00 O ATOM 0 H ASP A 35 3.538 -1.517 5.963 1.00 0.00 H new ATOM 0 HA ASP A 35 2.912 -2.901 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.749 -4.251 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.819 -5.080 4.814 1.00 0.00 H new ATOM 549 N ASP A 36 0.835 -1.733 4.680 1.00 0.00 N ATOM 550 CA ASP A 36 -0.540 -1.502 5.118 1.00 0.00 C ATOM 551 C ASP A 36 -1.530 -2.022 4.072 1.00 0.00 C ATOM 552 O ASP A 36 -1.187 -2.149 2.897 1.00 0.00 O ATOM 553 CB ASP A 36 -0.787 -0.009 5.341 1.00 0.00 C ATOM 554 CG ASP A 36 -0.246 0.400 6.707 1.00 0.00 C ATOM 555 OD1 ASP A 36 -0.376 -0.384 7.632 1.00 0.00 O ATOM 556 OD2 ASP A 36 0.291 1.491 6.808 1.00 0.00 O ATOM 0 H ASP A 36 1.216 -1.009 4.071 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.689 -2.038 6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.301 0.572 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.854 0.206 5.282 1.00 0.00 H new ATOM 561 N PRO A 37 -2.767 -2.330 4.486 1.00 0.00 N ATOM 562 CA PRO A 37 -3.797 -2.839 3.567 1.00 0.00 C ATOM 563 C PRO A 37 -4.321 -1.764 2.617 1.00 0.00 C ATOM 564 O PRO A 37 -4.326 -1.943 1.398 1.00 0.00 O ATOM 565 CB PRO A 37 -4.908 -3.328 4.492 1.00 0.00 C ATOM 566 CG PRO A 37 -4.741 -2.550 5.751 1.00 0.00 C ATOM 567 CD PRO A 37 -3.280 -2.217 5.864 1.00 0.00 C ATOM 0 HA PRO A 37 -3.401 -3.619 2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.890 -3.157 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.823 -4.399 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.344 -1.642 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.073 -3.131 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.132 -1.213 6.262 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.767 -2.905 6.536 1.00 0.00 H new ATOM 575 N LYS A 38 -4.762 -0.644 3.186 1.00 0.00 N ATOM 576 CA LYS A 38 -5.288 0.459 2.382 1.00 0.00 C ATOM 577 C LYS A 38 -4.245 0.943 1.377 1.00 0.00 C ATOM 578 O LYS A 38 -4.579 1.383 0.277 1.00 0.00 O ATOM 579 CB LYS A 38 -5.694 1.629 3.281 1.00 0.00 C ATOM 580 CG LYS A 38 -6.970 1.269 4.045 1.00 0.00 C ATOM 581 CD LYS A 38 -7.415 2.464 4.893 1.00 0.00 C ATOM 582 CE LYS A 38 -6.894 2.302 6.323 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.220 3.494 7.158 1.00 0.00 N ATOM 0 H LYS A 38 -4.766 -0.476 4.192 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.161 0.091 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.891 1.859 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.858 2.523 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.759 0.993 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.792 0.403 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.037 3.390 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.503 2.535 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.331 1.410 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.814 2.153 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.854 3.354 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.782 4.340 6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.252 3.620 7.195 1.00 0.00 H new ATOM 597 N LEU A 39 -2.976 0.855 1.768 1.00 0.00 N ATOM 598 CA LEU A 39 -1.889 1.285 0.894 1.00 0.00 C ATOM 599 C LEU A 39 -1.822 0.398 -0.346 1.00 0.00 C ATOM 600 O LEU A 39 -1.917 0.878 -1.476 1.00 0.00 O ATOM 601 CB LEU A 39 -0.551 1.226 1.636 1.00 0.00 C ATOM 602 CG LEU A 39 0.385 2.410 1.389 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.679 2.214 2.179 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.709 2.499 -0.105 1.00 0.00 C ATOM 0 H LEU A 39 -2.678 0.494 2.674 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.084 2.313 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.750 1.158 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.035 0.310 1.349 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.101 3.330 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.345 3.059 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.450 2.150 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.166 1.294 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.376 3.342 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.195 1.578 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.213 2.640 -0.669 1.00 0.00 H new ATOM 616 N LYS A 40 -1.654 -0.901 -0.122 1.00 0.00 N ATOM 617 CA LYS A 40 -1.572 -1.852 -1.226 1.00 0.00 C ATOM 618 C LYS A 40 -2.872 -1.853 -2.026 1.00 0.00 C ATOM 619 O LYS A 40 -2.865 -1.978 -3.250 1.00 0.00 O ATOM 620 CB LYS A 40 -1.310 -3.266 -0.701 1.00 0.00 C ATOM 621 CG LYS A 40 0.094 -3.333 -0.095 1.00 0.00 C ATOM 622 CD LYS A 40 0.673 -4.735 -0.300 1.00 0.00 C ATOM 623 CE LYS A 40 1.874 -4.931 0.627 1.00 0.00 C ATOM 624 NZ LYS A 40 1.460 -5.498 1.942 1.00 0.00 N ATOM 0 H LYS A 40 -1.572 -1.317 0.806 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.747 -1.547 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.055 -3.531 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.403 -3.989 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.739 -2.590 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.054 -3.096 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.087 -5.488 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.976 -4.867 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.596 -5.596 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.375 -3.976 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.297 -5.619 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.790 -4.851 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.004 -6.421 1.794 1.00 0.00 H new ATOM 638 N GLU A 41 -3.988 -1.708 -1.316 1.00 0.00 N ATOM 639 CA GLU A 41 -5.296 -1.691 -1.965 1.00 0.00 C ATOM 640 C GLU A 41 -5.417 -0.489 -2.894 1.00 0.00 C ATOM 641 O GLU A 41 -5.822 -0.616 -4.050 1.00 0.00 O ATOM 642 CB GLU A 41 -6.410 -1.619 -0.919 1.00 0.00 C ATOM 643 CG GLU A 41 -7.742 -2.003 -1.566 1.00 0.00 C ATOM 644 CD GLU A 41 -7.791 -3.515 -1.770 1.00 0.00 C ATOM 645 OE1 GLU A 41 -7.288 -4.224 -0.915 1.00 0.00 O ATOM 646 OE2 GLU A 41 -8.332 -3.939 -2.777 1.00 0.00 O ATOM 0 H GLU A 41 -4.014 -1.602 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.394 -2.610 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.189 -2.291 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.471 -0.612 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.571 -1.683 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.855 -1.492 -2.522 1.00 0.00 H new ATOM 653 N HIS A 42 -5.065 0.685 -2.372 1.00 0.00 N ATOM 654 CA HIS A 42 -5.138 1.921 -3.153 1.00 0.00 C ATOM 655 C HIS A 42 -4.341 1.798 -4.450 1.00 0.00 C ATOM 656 O HIS A 42 -4.743 2.304 -5.496 1.00 0.00 O ATOM 657 CB HIS A 42 -4.589 3.095 -2.342 1.00 0.00 C ATOM 658 CG HIS A 42 -5.128 4.386 -2.893 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.299 5.426 -3.283 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.409 4.822 -3.124 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.083 6.426 -3.724 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.379 6.110 -3.649 1.00 0.00 N ATOM 0 H HIS A 42 -4.728 0.807 -1.417 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.186 2.098 -3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.871 2.989 -1.294 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.500 3.098 -2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.305 4.251 -2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.710 7.370 -4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.175 6.688 -3.919 1.00 0.00 H new ATOM 670 N ALA A 43 -3.203 1.123 -4.368 1.00 0.00 N ATOM 671 CA ALA A 43 -2.352 0.938 -5.541 1.00 0.00 C ATOM 672 C ALA A 43 -3.107 0.220 -6.661 1.00 0.00 C ATOM 673 O ALA A 43 -3.050 0.623 -7.821 1.00 0.00 O ATOM 674 CB ALA A 43 -1.111 0.121 -5.176 1.00 0.00 C ATOM 0 H ALA A 43 -2.848 0.697 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.053 1.927 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.487 -0.008 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.544 0.644 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.416 -0.856 -4.801 1.00 0.00 H new ATOM 680 N PHE A 44 -3.793 -0.861 -6.300 1.00 0.00 N ATOM 681 CA PHE A 44 -4.533 -1.650 -7.286 1.00 0.00 C ATOM 682 C PHE A 44 -5.625 -0.831 -7.978 1.00 0.00 C ATOM 683 O PHE A 44 -5.667 -0.762 -9.207 1.00 0.00 O ATOM 684 CB PHE A 44 -5.160 -2.888 -6.627 1.00 0.00 C ATOM 685 CG PHE A 44 -5.796 -3.775 -7.681 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.095 -4.096 -8.855 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.086 -4.279 -7.479 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.688 -4.919 -9.821 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.677 -5.103 -8.445 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.978 -5.422 -9.616 1.00 0.00 C ATOM 0 H PHE A 44 -3.853 -1.210 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.815 -1.963 -8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.397 -3.446 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.910 -2.581 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.099 -3.709 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.626 -4.032 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.150 -5.166 -10.724 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.672 -5.492 -8.287 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.435 -6.056 -10.361 1.00 0.00 H new ATOM 700 N CYS A 45 -6.523 -0.226 -7.197 1.00 0.00 N ATOM 701 CA CYS A 45 -7.612 0.555 -7.793 1.00 0.00 C ATOM 702 C CYS A 45 -7.070 1.682 -8.683 1.00 0.00 C ATOM 703 O CYS A 45 -7.770 2.175 -9.566 1.00 0.00 O ATOM 704 CB CYS A 45 -8.547 1.127 -6.720 1.00 0.00 C ATOM 705 SG CYS A 45 -7.648 2.229 -5.609 1.00 0.00 S ATOM 0 H CYS A 45 -6.521 -0.258 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.189 -0.127 -8.417 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.364 1.670 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.994 0.313 -6.149 1.00 0.00 H new ATOM 710 N ILE A 46 -5.807 2.062 -8.470 1.00 0.00 N ATOM 711 CA ILE A 46 -5.187 3.100 -9.294 1.00 0.00 C ATOM 712 C ILE A 46 -4.419 2.429 -10.447 1.00 0.00 C ATOM 713 O ILE A 46 -4.300 2.985 -11.539 1.00 0.00 O ATOM 714 CB ILE A 46 -4.258 3.998 -8.424 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.067 5.182 -7.884 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.070 4.563 -9.226 1.00 0.00 C ATOM 717 CD1 ILE A 46 -6.170 4.680 -6.953 1.00 0.00 C ATOM 0 H ILE A 46 -5.203 1.673 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.953 3.749 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.867 3.375 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.411 5.867 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.504 5.742 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.453 5.182 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.472 3.741 -9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.444 5.167 -10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.740 5.528 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.834 4.013 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.724 4.140 -6.118 1.00 0.00 H new ATOM 729 N LEU A 47 -3.904 1.225 -10.186 1.00 0.00 N ATOM 730 CA LEU A 47 -3.154 0.481 -11.198 1.00 0.00 C ATOM 731 C LEU A 47 -4.023 0.237 -12.433 1.00 0.00 C ATOM 732 O LEU A 47 -3.584 0.427 -13.568 1.00 0.00 O ATOM 733 CB LEU A 47 -2.684 -0.867 -10.625 1.00 0.00 C ATOM 734 CG LEU A 47 -1.180 -0.990 -10.352 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.421 -0.986 -11.678 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.711 0.185 -9.491 1.00 0.00 C ATOM 0 H LEU A 47 -3.992 0.748 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.285 1.072 -11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.219 -1.050 -9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.973 -1.656 -11.319 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.985 -1.923 -9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.648 -1.073 -11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.750 -1.827 -12.288 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.619 -0.054 -12.208 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.358 0.092 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.906 1.121 -10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.250 0.180 -8.544 1.00 0.00 H new ATOM 748 N LYS A 48 -5.261 -0.189 -12.195 1.00 0.00 N ATOM 749 CA LYS A 48 -6.188 -0.460 -13.291 1.00 0.00 C ATOM 750 C LYS A 48 -6.517 0.825 -14.045 1.00 0.00 C ATOM 751 O LYS A 48 -6.455 0.873 -15.274 1.00 0.00 O ATOM 752 CB LYS A 48 -7.486 -1.070 -12.754 1.00 0.00 C ATOM 753 CG LYS A 48 -8.042 -2.072 -13.769 1.00 0.00 C ATOM 754 CD LYS A 48 -9.565 -2.141 -13.638 1.00 0.00 C ATOM 755 CE LYS A 48 -9.934 -2.853 -12.336 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.393 -3.153 -12.274 1.00 0.00 N ATOM 0 H LYS A 48 -5.643 -0.353 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.708 -1.165 -13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.299 -1.567 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.218 -0.285 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.767 -1.772 -14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.607 -3.057 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.987 -1.136 -13.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.990 -2.673 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.367 -3.780 -12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.653 -2.230 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.683 -3.264 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.927 -2.371 -12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.589 -4.033 -12.792 1.00 0.00 H new ATOM 770 N ARG A 49 -6.870 1.865 -13.296 1.00 0.00 N ATOM 771 CA ARG A 49 -7.209 3.149 -13.903 1.00 0.00 C ATOM 772 C ARG A 49 -5.995 3.744 -14.609 1.00 0.00 C ATOM 773 O ARG A 49 -6.120 4.396 -15.647 1.00 0.00 O ATOM 774 CB ARG A 49 -7.696 4.133 -12.836 1.00 0.00 C ATOM 775 CG ARG A 49 -9.018 3.638 -12.250 1.00 0.00 C ATOM 776 CD ARG A 49 -9.902 4.835 -11.896 1.00 0.00 C ATOM 777 NE ARG A 49 -10.805 5.153 -12.999 1.00 0.00 N ATOM 778 CZ ARG A 49 -11.725 4.283 -13.404 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.911 4.286 -12.857 1.00 0.00 N ATOM 780 NH2 ARG A 49 -11.443 3.425 -14.346 1.00 0.00 N ATOM 0 H ARG A 49 -6.929 1.846 -12.278 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.003 2.977 -14.630 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.950 4.229 -12.047 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.828 5.123 -13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.528 2.996 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.831 3.036 -11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.480 4.614 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.278 5.700 -11.669 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.729 6.057 -13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.131 4.956 -12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.617 3.619 -13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.516 3.422 -14.772 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.149 2.758 -14.656 1.00 0.00 H new ATOM 794 N ALA A 50 -4.819 3.514 -14.033 1.00 0.00 N ATOM 795 CA ALA A 50 -3.581 4.031 -14.612 1.00 0.00 C ATOM 796 C ALA A 50 -3.365 3.470 -16.016 1.00 0.00 C ATOM 797 O ALA A 50 -2.765 4.121 -16.873 1.00 0.00 O ATOM 798 CB ALA A 50 -2.384 3.653 -13.738 1.00 0.00 C ATOM 0 H ALA A 50 -4.696 2.978 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.667 5.116 -14.666 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.470 4.046 -14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.513 4.076 -12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.315 2.568 -13.665 1.00 0.00 H new ATOM 804 N GLY A 51 -3.857 2.256 -16.242 1.00 0.00 N ATOM 805 CA GLY A 51 -3.711 1.615 -17.544 1.00 0.00 C ATOM 806 C GLY A 51 -2.491 0.702 -17.559 1.00 0.00 C ATOM 807 O GLY A 51 -1.821 0.550 -18.581 1.00 0.00 O ATOM 0 H GLY A 51 -4.356 1.700 -15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.607 1.038 -17.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.613 2.374 -18.320 1.00 0.00 H new ATOM 811 N PHE A 52 -2.211 0.098 -16.407 1.00 0.00 N ATOM 812 CA PHE A 52 -1.067 -0.803 -16.286 1.00 0.00 C ATOM 813 C PHE A 52 -1.536 -2.251 -16.191 1.00 0.00 C ATOM 814 O PHE A 52 -0.849 -3.168 -16.634 1.00 0.00 O ATOM 815 CB PHE A 52 -0.252 -0.460 -15.038 1.00 0.00 C ATOM 816 CG PHE A 52 0.666 0.701 -15.337 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.590 0.611 -16.385 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.591 1.867 -14.566 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.441 1.689 -16.661 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.442 2.944 -14.843 1.00 0.00 C ATOM 821 CZ PHE A 52 2.366 2.855 -15.890 1.00 0.00 C ATOM 0 H PHE A 52 -2.754 0.214 -15.551 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.445 -0.682 -17.173 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.919 -0.207 -14.214 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.330 -1.326 -14.722 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.647 -0.289 -16.980 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.123 1.936 -13.758 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.155 1.621 -17.469 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.385 3.844 -14.248 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.022 3.686 -16.103 1.00 0.00 H new ATOM 831 N ILE A 53 -2.714 -2.445 -15.607 1.00 0.00 N ATOM 832 CA ILE A 53 -3.266 -3.789 -15.459 1.00 0.00 C ATOM 833 C ILE A 53 -4.763 -3.781 -15.779 1.00 0.00 C ATOM 834 O ILE A 53 -5.482 -2.850 -15.417 1.00 0.00 O ATOM 835 CB ILE A 53 -3.024 -4.307 -14.030 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.456 -5.774 -13.930 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.814 -3.471 -13.014 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.682 -6.454 -12.799 1.00 0.00 C ATOM 0 H ILE A 53 -3.300 -1.699 -15.232 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.764 -4.457 -16.160 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.961 -4.222 -13.806 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.528 -5.837 -13.742 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.267 -6.286 -14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.631 -3.851 -12.009 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.494 -2.431 -13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.879 -3.536 -13.238 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.987 -7.498 -12.725 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.613 -6.402 -13.007 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.893 -5.947 -11.857 1.00 0.00 H new ATOM 850 N ASP A 54 -5.221 -4.821 -16.468 1.00 0.00 N ATOM 851 CA ASP A 54 -6.633 -4.912 -16.836 1.00 0.00 C ATOM 852 C ASP A 54 -7.423 -5.619 -15.741 1.00 0.00 C ATOM 853 O ASP A 54 -6.851 -6.325 -14.915 1.00 0.00 O ATOM 854 CB ASP A 54 -6.798 -5.683 -18.147 1.00 0.00 C ATOM 855 CG ASP A 54 -6.114 -7.042 -18.031 1.00 0.00 C ATOM 856 OD1 ASP A 54 -6.616 -7.873 -17.293 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.100 -7.231 -18.682 1.00 0.00 O ATOM 0 H ASP A 54 -4.646 -5.604 -16.780 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.013 -3.898 -16.963 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.856 -5.815 -18.372 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.365 -5.116 -18.971 1.00 0.00 H new ATOM 862 N ALA A 55 -8.743 -5.400 -15.749 1.00 0.00 N ATOM 863 CA ALA A 55 -9.643 -6.007 -14.759 1.00 0.00 C ATOM 864 C ALA A 55 -9.625 -7.541 -14.844 1.00 0.00 C ATOM 865 O ALA A 55 -10.615 -8.171 -15.219 1.00 0.00 O ATOM 866 CB ALA A 55 -11.076 -5.507 -14.973 1.00 0.00 C ATOM 0 H ALA A 55 -9.213 -4.806 -16.431 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.290 -5.712 -13.771 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.735 -5.963 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.103 -4.423 -14.863 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.411 -5.779 -15.974 1.00 0.00 H new ATOM 872 N SER A 56 -8.493 -8.133 -14.488 1.00 0.00 N ATOM 873 CA SER A 56 -8.349 -9.585 -14.521 1.00 0.00 C ATOM 874 C SER A 56 -7.336 -10.032 -13.475 1.00 0.00 C ATOM 875 O SER A 56 -7.577 -10.967 -12.710 1.00 0.00 O ATOM 876 CB SER A 56 -7.882 -10.048 -15.901 1.00 0.00 C ATOM 877 OG SER A 56 -8.402 -11.344 -16.162 1.00 0.00 O ATOM 0 H SER A 56 -7.662 -7.633 -14.173 1.00 0.00 H new ATOM 0 HA SER A 56 -9.321 -10.029 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.219 -9.348 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.793 -10.065 -15.942 1.00 0.00 H new ATOM 0 HG SER A 56 -8.106 -11.643 -17.047 1.00 0.00 H new ATOM 883 N GLY A 57 -6.195 -9.346 -13.452 1.00 0.00 N ATOM 884 CA GLY A 57 -5.139 -9.660 -12.504 1.00 0.00 C ATOM 885 C GLY A 57 -3.823 -10.008 -13.209 1.00 0.00 C ATOM 886 O GLY A 57 -2.804 -10.229 -12.554 1.00 0.00 O ATOM 0 H GLY A 57 -5.982 -8.571 -14.080 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.982 -8.809 -11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.449 -10.498 -11.880 1.00 0.00 H new ATOM 890 N GLU A 58 -3.841 -10.051 -14.544 1.00 0.00 N ATOM 891 CA GLU A 58 -2.631 -10.367 -15.297 1.00 0.00 C ATOM 892 C GLU A 58 -1.738 -9.136 -15.393 1.00 0.00 C ATOM 893 O GLU A 58 -2.128 -8.112 -15.956 1.00 0.00 O ATOM 894 CB GLU A 58 -2.985 -10.840 -16.708 1.00 0.00 C ATOM 895 CG GLU A 58 -3.362 -12.322 -16.670 1.00 0.00 C ATOM 896 CD GLU A 58 -2.105 -13.171 -16.820 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.397 -12.979 -17.794 1.00 0.00 O ATOM 898 OE2 GLU A 58 -1.870 -14.001 -15.958 1.00 0.00 O ATOM 0 H GLU A 58 -4.667 -9.874 -15.115 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.102 -11.164 -14.774 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.814 -10.253 -17.102 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.139 -10.686 -17.378 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.862 -12.557 -15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.065 -12.550 -17.471 1.00 0.00 H new ATOM 905 N PHE A 59 -0.538 -9.241 -14.832 1.00 0.00 N ATOM 906 CA PHE A 59 0.401 -8.118 -14.854 1.00 0.00 C ATOM 907 C PHE A 59 0.846 -7.808 -16.281 1.00 0.00 C ATOM 908 O PHE A 59 0.871 -8.680 -17.149 1.00 0.00 O ATOM 909 CB PHE A 59 1.644 -8.402 -13.992 1.00 0.00 C ATOM 910 CG PHE A 59 2.165 -9.800 -14.248 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.728 -10.125 -15.488 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.086 -10.771 -13.240 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.210 -11.419 -15.722 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.565 -12.064 -13.475 1.00 0.00 C ATOM 915 CZ PHE A 59 3.127 -12.389 -14.715 1.00 0.00 C ATOM 0 H PHE A 59 -0.193 -10.078 -14.362 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.125 -7.258 -14.441 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.422 -7.672 -14.215 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.395 -8.289 -12.937 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.791 -9.377 -16.265 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.655 -10.521 -12.282 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.645 -11.669 -16.678 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.501 -12.812 -12.699 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.497 -13.388 -14.895 1.00 0.00 H new ATOM 925 N GLN A 60 1.202 -6.546 -16.501 1.00 0.00 N ATOM 926 CA GLN A 60 1.661 -6.096 -17.814 1.00 0.00 C ATOM 927 C GLN A 60 2.853 -5.160 -17.643 1.00 0.00 C ATOM 928 O GLN A 60 2.711 -3.938 -17.653 1.00 0.00 O ATOM 929 CB GLN A 60 0.541 -5.358 -18.553 1.00 0.00 C ATOM 930 CG GLN A 60 -0.258 -6.354 -19.394 1.00 0.00 C ATOM 931 CD GLN A 60 -1.592 -5.730 -19.789 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.788 -5.343 -20.942 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.532 -5.607 -18.893 1.00 0.00 N ATOM 0 H GLN A 60 1.182 -5.816 -15.789 1.00 0.00 H new ATOM 0 HA GLN A 60 1.953 -6.968 -18.398 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.115 -4.861 -17.838 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.962 -4.582 -19.192 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.306 -6.628 -20.286 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.426 -7.271 -18.829 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.371 -5.927 -17.938 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.428 -5.191 -19.147 1.00 0.00 H new ATOM 942 N LEU A 61 4.026 -5.756 -17.467 1.00 0.00 N ATOM 943 CA LEU A 61 5.248 -4.982 -17.268 1.00 0.00 C ATOM 944 C LEU A 61 5.712 -4.334 -18.566 1.00 0.00 C ATOM 945 O LEU A 61 6.328 -3.268 -18.552 1.00 0.00 O ATOM 946 CB LEU A 61 6.360 -5.883 -16.729 1.00 0.00 C ATOM 947 CG LEU A 61 5.919 -6.926 -15.697 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.150 -7.618 -15.113 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.141 -6.235 -14.572 1.00 0.00 C ATOM 0 H LEU A 61 4.158 -6.767 -17.458 1.00 0.00 H new ATOM 0 HA LEU A 61 5.027 -4.195 -16.547 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.824 -6.401 -17.569 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.128 -5.254 -16.279 1.00 0.00 H new ATOM 0 HG LEU A 61 5.281 -7.666 -16.180 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.836 -8.360 -14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.704 -8.110 -15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.789 -6.878 -14.631 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.827 -6.977 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.779 -5.495 -14.090 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.262 -5.741 -14.987 1.00 0.00 H new ATOM 961 N ASP A 62 5.412 -4.981 -19.692 1.00 0.00 N ATOM 962 CA ASP A 62 5.809 -4.447 -20.999 1.00 0.00 C ATOM 963 C ASP A 62 5.340 -2.999 -21.161 1.00 0.00 C ATOM 964 O ASP A 62 5.973 -2.199 -21.848 1.00 0.00 O ATOM 965 CB ASP A 62 5.216 -5.291 -22.128 1.00 0.00 C ATOM 966 CG ASP A 62 6.160 -5.273 -23.326 1.00 0.00 C ATOM 967 OD1 ASP A 62 6.408 -4.198 -23.843 1.00 0.00 O ATOM 968 OD2 ASP A 62 6.621 -6.337 -23.707 1.00 0.00 O ATOM 0 H ASP A 62 4.902 -5.864 -19.729 1.00 0.00 H new ATOM 0 HA ASP A 62 6.897 -4.481 -21.052 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.062 -6.315 -21.788 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.240 -4.900 -22.415 1.00 0.00 H new ATOM 973 N HIS A 63 4.229 -2.674 -20.504 1.00 0.00 N ATOM 974 CA HIS A 63 3.688 -1.320 -20.564 1.00 0.00 C ATOM 975 C HIS A 63 4.349 -0.444 -19.502 1.00 0.00 C ATOM 976 O HIS A 63 4.516 0.762 -19.686 1.00 0.00 O ATOM 977 CB HIS A 63 2.176 -1.336 -20.328 1.00 0.00 C ATOM 978 CG HIS A 63 1.467 -1.623 -21.623 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.295 -0.657 -22.602 1.00 0.00 N ATOM 980 CD2 HIS A 63 0.879 -2.763 -22.114 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.629 -1.228 -23.622 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.350 -2.511 -23.376 1.00 0.00 N ATOM 0 H HIS A 63 3.691 -3.323 -19.930 1.00 0.00 H new ATOM 0 HA HIS A 63 3.893 -0.914 -21.555 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.921 -2.093 -19.587 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.850 -0.376 -19.928 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.834 -3.711 -21.599 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.353 -0.712 -24.530 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.144 -3.165 -23.983 1.00 0.00 H new ATOM 990 N ILE A 64 4.726 -1.069 -18.386 1.00 0.00 N ATOM 991 CA ILE A 64 5.372 -0.346 -17.293 1.00 0.00 C ATOM 992 C ILE A 64 6.762 0.125 -17.716 1.00 0.00 C ATOM 993 O ILE A 64 7.088 1.309 -17.622 1.00 0.00 O ATOM 994 CB ILE A 64 5.499 -1.252 -16.062 1.00 0.00 C ATOM 995 CG1 ILE A 64 4.117 -1.786 -15.676 1.00 0.00 C ATOM 996 CG2 ILE A 64 6.079 -0.460 -14.886 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.268 -2.856 -14.594 1.00 0.00 C ATOM 0 H ILE A 64 4.596 -2.066 -18.217 1.00 0.00 H new ATOM 0 HA ILE A 64 4.758 0.520 -17.045 1.00 0.00 H new ATOM 0 HB ILE A 64 6.163 -2.083 -16.300 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.489 -0.972 -15.313 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.620 -2.206 -16.551 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.166 -1.111 -14.016 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.065 -0.080 -15.154 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.420 0.375 -14.650 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.284 -3.237 -14.319 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.880 -3.674 -14.974 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.747 -2.421 -13.717 1.00 0.00 H new ATOM 1009 N LYS A 65 7.581 -0.820 -18.173 1.00 0.00 N ATOM 1010 CA LYS A 65 8.945 -0.502 -18.601 1.00 0.00 C ATOM 1011 C LYS A 65 8.949 0.597 -19.665 1.00 0.00 C ATOM 1012 O LYS A 65 9.779 1.506 -19.635 1.00 0.00 O ATOM 1013 CB LYS A 65 9.632 -1.748 -19.168 1.00 0.00 C ATOM 1014 CG LYS A 65 8.806 -2.316 -20.325 1.00 0.00 C ATOM 1015 CD LYS A 65 9.332 -3.707 -20.691 1.00 0.00 C ATOM 1016 CE LYS A 65 9.108 -4.669 -19.522 1.00 0.00 C ATOM 1017 NZ LYS A 65 9.115 -6.088 -19.976 1.00 0.00 N ATOM 0 H LYS A 65 7.329 -1.805 -18.257 1.00 0.00 H new ATOM 0 HA LYS A 65 9.489 -0.148 -17.725 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.634 -1.496 -19.514 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.745 -2.499 -18.387 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.755 -2.376 -20.041 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.866 -1.654 -21.189 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.822 -4.076 -21.581 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.394 -3.653 -20.931 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.886 -4.521 -18.773 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.156 -4.444 -19.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.961 -6.714 -19.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.356 -6.233 -20.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.033 -6.308 -20.413 1.00 0.00 H new ATOM 1031 N THR A 66 8.011 0.503 -20.604 1.00 0.00 N ATOM 1032 CA THR A 66 7.914 1.493 -21.677 1.00 0.00 C ATOM 1033 C THR A 66 7.711 2.896 -21.105 1.00 0.00 C ATOM 1034 O THR A 66 8.233 3.878 -21.634 1.00 0.00 O ATOM 1035 CB THR A 66 6.745 1.159 -22.607 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.852 -0.193 -23.030 1.00 0.00 O ATOM 1037 CG2 THR A 66 6.777 2.081 -23.828 1.00 0.00 C ATOM 0 H THR A 66 7.313 -0.240 -20.646 1.00 0.00 H new ATOM 0 HA THR A 66 8.847 1.467 -22.239 1.00 0.00 H new ATOM 0 HB THR A 66 5.805 1.302 -22.074 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.080 -0.700 -22.702 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.943 1.840 -24.488 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.695 3.118 -23.503 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.716 1.942 -24.364 1.00 0.00 H new ATOM 1045 N LYS A 67 6.946 2.978 -20.021 1.00 0.00 N ATOM 1046 CA LYS A 67 6.679 4.267 -19.386 1.00 0.00 C ATOM 1047 C LYS A 67 7.969 4.876 -18.846 1.00 0.00 C ATOM 1048 O LYS A 67 8.310 6.018 -19.155 1.00 0.00 O ATOM 1049 CB LYS A 67 5.684 4.103 -18.236 1.00 0.00 C ATOM 1050 CG LYS A 67 4.276 3.911 -18.802 1.00 0.00 C ATOM 1051 CD LYS A 67 3.780 5.230 -19.397 1.00 0.00 C ATOM 1052 CE LYS A 67 2.260 5.179 -19.557 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.770 6.261 -20.457 1.00 0.00 N ATOM 0 H LYS A 67 6.504 2.179 -19.567 1.00 0.00 H new ATOM 0 HA LYS A 67 6.255 4.930 -20.140 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.960 3.246 -17.622 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.711 4.980 -17.590 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.283 3.135 -19.567 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.599 3.577 -18.016 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.060 6.061 -18.750 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.252 5.405 -20.364 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.968 4.209 -19.959 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.787 5.275 -18.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.736 6.198 -20.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.028 7.187 -20.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.204 6.154 -21.396 1.00 0.00 H new ATOM 1067 N PHE A 68 8.686 4.102 -18.038 1.00 0.00 N ATOM 1068 CA PHE A 68 9.941 4.573 -17.459 1.00 0.00 C ATOM 1069 C PHE A 68 11.020 4.746 -18.533 1.00 0.00 C ATOM 1070 O PHE A 68 12.030 5.409 -18.307 1.00 0.00 O ATOM 1071 CB PHE A 68 10.444 3.584 -16.406 1.00 0.00 C ATOM 1072 CG PHE A 68 9.657 3.764 -15.129 1.00 0.00 C ATOM 1073 CD1 PHE A 68 8.484 3.029 -14.921 1.00 0.00 C ATOM 1074 CD2 PHE A 68 10.102 4.663 -14.153 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.755 3.195 -13.737 1.00 0.00 C ATOM 1076 CE2 PHE A 68 9.373 4.829 -12.969 1.00 0.00 C ATOM 1077 CZ PHE A 68 8.199 4.095 -12.761 1.00 0.00 C ATOM 0 H PHE A 68 8.423 3.153 -17.770 1.00 0.00 H new ATOM 0 HA PHE A 68 9.745 5.540 -16.997 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.337 2.562 -16.771 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.505 3.746 -16.217 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.141 2.334 -15.673 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.008 5.229 -14.313 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.850 2.628 -13.577 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.716 5.523 -12.216 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.636 4.223 -11.848 1.00 0.00 H new ATOM 1087 N LYS A 69 10.805 4.140 -19.703 1.00 0.00 N ATOM 1088 CA LYS A 69 11.778 4.242 -20.788 1.00 0.00 C ATOM 1089 C LYS A 69 11.746 5.633 -21.416 1.00 0.00 C ATOM 1090 O LYS A 69 12.768 6.312 -21.510 1.00 0.00 O ATOM 1091 CB LYS A 69 11.480 3.204 -21.871 1.00 0.00 C ATOM 1092 CG LYS A 69 12.065 1.852 -21.458 1.00 0.00 C ATOM 1093 CD LYS A 69 13.575 1.854 -21.698 1.00 0.00 C ATOM 1094 CE LYS A 69 14.061 0.417 -21.892 1.00 0.00 C ATOM 1095 NZ LYS A 69 13.814 -0.057 -23.283 1.00 0.00 N ATOM 0 H LYS A 69 9.979 3.582 -19.920 1.00 0.00 H new ATOM 0 HA LYS A 69 12.766 4.060 -20.366 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.404 3.116 -22.019 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.908 3.522 -22.822 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.854 1.658 -20.406 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.596 1.051 -22.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.814 2.452 -22.577 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.088 2.312 -20.852 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.127 0.358 -21.670 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.552 -0.239 -21.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.155 -1.035 -23.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.794 -0.023 -23.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.320 0.556 -23.954 1.00 0.00 H new ATOM 1109 N GLU A 70 10.556 6.046 -21.853 1.00 0.00 N ATOM 1110 CA GLU A 70 10.388 7.360 -22.485 1.00 0.00 C ATOM 1111 C GLU A 70 10.926 8.479 -21.593 1.00 0.00 C ATOM 1112 O GLU A 70 10.220 9.009 -20.736 1.00 0.00 O ATOM 1113 CB GLU A 70 8.909 7.634 -22.800 1.00 0.00 C ATOM 1114 CG GLU A 70 8.031 7.259 -21.600 1.00 0.00 C ATOM 1115 CD GLU A 70 6.646 7.874 -21.772 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.006 7.574 -22.766 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.247 8.636 -20.907 1.00 0.00 O ATOM 0 H GLU A 70 9.699 5.497 -21.783 1.00 0.00 H new ATOM 0 HA GLU A 70 10.958 7.343 -23.414 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.771 8.687 -23.045 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.604 7.061 -23.676 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.952 6.175 -21.518 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.487 7.616 -20.676 1.00 0.00 H new ATOM 1210 N LYS A 77 18.138 0.978 -16.828 1.00 0.00 N ATOM 1211 CA LYS A 77 18.116 -0.066 -15.805 1.00 0.00 C ATOM 1212 C LYS A 77 16.691 -0.366 -15.327 1.00 0.00 C ATOM 1213 O LYS A 77 16.473 -1.314 -14.573 1.00 0.00 O ATOM 1214 CB LYS A 77 18.962 0.355 -14.600 1.00 0.00 C ATOM 1215 CG LYS A 77 20.409 -0.096 -14.810 1.00 0.00 C ATOM 1216 CD LYS A 77 21.356 0.882 -14.110 1.00 0.00 C ATOM 1217 CE LYS A 77 21.676 0.367 -12.706 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.751 1.175 -12.063 1.00 0.00 N ATOM 0 HA LYS A 77 18.528 -0.968 -16.258 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.922 1.437 -14.474 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.561 -0.087 -13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.549 -1.101 -14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.636 -0.140 -15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.274 0.991 -14.687 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.898 1.869 -14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.777 0.400 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.987 -0.676 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.945 0.801 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.616 1.123 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.443 2.166 -11.989 1.00 0.00 H new ATOM 1232 N VAL A 78 15.720 0.443 -15.760 1.00 0.00 N ATOM 1233 CA VAL A 78 14.333 0.228 -15.348 1.00 0.00 C ATOM 1234 C VAL A 78 13.842 -1.146 -15.799 1.00 0.00 C ATOM 1235 O VAL A 78 13.298 -1.915 -15.009 1.00 0.00 O ATOM 1236 CB VAL A 78 13.414 1.307 -15.941 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.987 1.140 -15.391 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.948 2.696 -15.572 1.00 0.00 C ATOM 0 H VAL A 78 15.865 1.237 -16.383 1.00 0.00 H new ATOM 0 HA VAL A 78 14.301 0.285 -14.260 1.00 0.00 H new ATOM 0 HB VAL A 78 13.393 1.202 -17.026 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.341 1.908 -15.816 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.606 0.155 -15.661 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.002 1.238 -14.305 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.295 3.461 -15.993 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.975 2.799 -14.487 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.954 2.817 -15.973 1.00 0.00 H new ATOM 1248 N ASP A 79 14.035 -1.445 -17.086 1.00 0.00 N ATOM 1249 CA ASP A 79 13.600 -2.730 -17.652 1.00 0.00 C ATOM 1250 C ASP A 79 14.033 -3.911 -16.779 1.00 0.00 C ATOM 1251 O ASP A 79 13.242 -4.810 -16.492 1.00 0.00 O ATOM 1252 CB ASP A 79 14.170 -2.921 -19.061 1.00 0.00 C ATOM 1253 CG ASP A 79 15.674 -2.658 -19.050 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.051 -1.498 -19.040 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.423 -3.620 -19.055 1.00 0.00 O ATOM 0 H ASP A 79 14.487 -0.821 -17.755 1.00 0.00 H new ATOM 0 HA ASP A 79 12.511 -2.705 -17.693 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.971 -3.935 -19.409 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.678 -2.242 -19.758 1.00 0.00 H new ATOM 1260 N ASP A 80 15.294 -3.898 -16.357 1.00 0.00 N ATOM 1261 CA ASP A 80 15.813 -4.974 -15.518 1.00 0.00 C ATOM 1262 C ASP A 80 15.182 -4.917 -14.130 1.00 0.00 C ATOM 1263 O ASP A 80 14.841 -5.944 -13.542 1.00 0.00 O ATOM 1264 CB ASP A 80 17.332 -4.859 -15.376 1.00 0.00 C ATOM 1265 CG ASP A 80 18.009 -5.628 -16.505 1.00 0.00 C ATOM 1266 OD1 ASP A 80 18.226 -5.039 -17.550 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.302 -6.796 -16.306 1.00 0.00 O ATOM 0 H ASP A 80 15.968 -3.165 -16.578 1.00 0.00 H new ATOM 0 HA ASP A 80 15.563 -5.922 -15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.632 -3.812 -15.404 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.649 -5.255 -14.411 1.00 0.00 H new ATOM 1272 N LEU A 81 15.036 -3.701 -13.613 1.00 0.00 N ATOM 1273 CA LEU A 81 14.451 -3.507 -12.288 1.00 0.00 C ATOM 1274 C LEU A 81 12.977 -3.915 -12.279 1.00 0.00 C ATOM 1275 O LEU A 81 12.469 -4.424 -11.282 1.00 0.00 O ATOM 1276 CB LEU A 81 14.573 -2.041 -11.867 1.00 0.00 C ATOM 1277 CG LEU A 81 14.836 -1.803 -10.379 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.340 -1.877 -10.107 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.317 -0.419 -9.985 1.00 0.00 C ATOM 0 H LEU A 81 15.312 -2.840 -14.086 1.00 0.00 H new ATOM 0 HA LEU A 81 14.996 -4.136 -11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.380 -1.583 -12.439 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.654 -1.524 -12.143 1.00 0.00 H new ATOM 0 HG LEU A 81 14.322 -2.566 -9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.527 -1.707 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.713 -2.862 -10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.854 -1.114 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.504 -0.249 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.831 0.343 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.246 -0.364 -10.178 1.00 0.00 H new ATOM 1291 N VAL A 82 12.298 -3.681 -13.401 1.00 0.00 N ATOM 1292 CA VAL A 82 10.879 -4.021 -13.516 1.00 0.00 C ATOM 1293 C VAL A 82 10.661 -5.517 -13.271 1.00 0.00 C ATOM 1294 O VAL A 82 9.676 -5.920 -12.652 1.00 0.00 O ATOM 1295 CB VAL A 82 10.356 -3.648 -14.915 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.858 -3.968 -15.025 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.574 -2.146 -15.163 1.00 0.00 C ATOM 0 H VAL A 82 12.703 -3.261 -14.238 1.00 0.00 H new ATOM 0 HA VAL A 82 10.331 -3.456 -12.762 1.00 0.00 H new ATOM 0 HB VAL A 82 10.901 -4.228 -15.660 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.501 -3.699 -16.019 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.700 -5.034 -14.858 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.308 -3.398 -14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.203 -1.883 -16.154 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.035 -1.571 -14.410 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.638 -1.918 -15.101 1.00 0.00 H new ATOM 1307 N ALA A 83 11.584 -6.332 -13.766 1.00 0.00 N ATOM 1308 CA ALA A 83 11.477 -7.780 -13.602 1.00 0.00 C ATOM 1309 C ALA A 83 11.471 -8.166 -12.124 1.00 0.00 C ATOM 1310 O ALA A 83 10.543 -8.814 -11.640 1.00 0.00 O ATOM 1311 CB ALA A 83 12.646 -8.484 -14.291 1.00 0.00 C ATOM 0 H ALA A 83 12.408 -6.021 -14.280 1.00 0.00 H new ATOM 0 HA ALA A 83 10.538 -8.093 -14.058 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.551 -9.562 -14.159 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.638 -8.247 -15.355 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.584 -8.146 -13.851 1.00 0.00 H new ATOM 1317 N LYS A 84 12.526 -7.770 -11.417 1.00 0.00 N ATOM 1318 CA LYS A 84 12.646 -8.092 -9.995 1.00 0.00 C ATOM 1319 C LYS A 84 11.690 -7.255 -9.141 1.00 0.00 C ATOM 1320 O LYS A 84 11.388 -7.617 -8.003 1.00 0.00 O ATOM 1321 CB LYS A 84 14.079 -7.845 -9.518 1.00 0.00 C ATOM 1322 CG LYS A 84 14.425 -8.836 -8.404 1.00 0.00 C ATOM 1323 CD LYS A 84 15.774 -8.460 -7.789 1.00 0.00 C ATOM 1324 CE LYS A 84 16.499 -9.728 -7.333 1.00 0.00 C ATOM 1325 NZ LYS A 84 17.976 -9.528 -7.303 1.00 0.00 N ATOM 0 H LYS A 84 13.303 -7.231 -11.799 1.00 0.00 H new ATOM 0 HA LYS A 84 12.385 -9.144 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.775 -7.959 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.181 -6.823 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.649 -8.825 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.465 -9.849 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.381 -7.924 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.625 -7.789 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.148 -10.013 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.255 -10.550 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.439 -10.405 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.312 -9.280 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.209 -8.759 -6.643 1.00 0.00 H new ATOM 1339 N CYS A 85 11.223 -6.131 -9.683 1.00 0.00 N ATOM 1340 CA CYS A 85 10.312 -5.266 -8.931 1.00 0.00 C ATOM 1341 C CYS A 85 8.863 -5.705 -9.112 1.00 0.00 C ATOM 1342 O CYS A 85 8.074 -5.687 -8.167 1.00 0.00 O ATOM 1343 CB CYS A 85 10.444 -3.814 -9.390 1.00 0.00 C ATOM 1344 SG CYS A 85 11.954 -3.096 -8.695 1.00 0.00 S ATOM 0 H CYS A 85 11.454 -5.802 -10.620 1.00 0.00 H new ATOM 0 HA CYS A 85 10.585 -5.346 -7.879 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.474 -3.767 -10.479 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.575 -3.240 -9.070 1.00 0.00 H new ATOM 1349 N ALA A 86 8.515 -6.088 -10.337 1.00 0.00 N ATOM 1350 CA ALA A 86 7.150 -6.517 -10.635 1.00 0.00 C ATOM 1351 C ALA A 86 6.949 -8.011 -10.345 1.00 0.00 C ATOM 1352 O ALA A 86 6.386 -8.745 -11.161 1.00 0.00 O ATOM 1353 CB ALA A 86 6.821 -6.238 -12.104 1.00 0.00 C ATOM 0 H ALA A 86 9.152 -6.111 -11.134 1.00 0.00 H new ATOM 0 HA ALA A 86 6.480 -5.950 -9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.802 -6.561 -12.316 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.911 -5.170 -12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.515 -6.784 -12.742 1.00 0.00 H new ATOM 1359 N VAL A 87 7.398 -8.457 -9.175 1.00 0.00 N ATOM 1360 CA VAL A 87 7.240 -9.861 -8.803 1.00 0.00 C ATOM 1361 C VAL A 87 5.758 -10.200 -8.654 1.00 0.00 C ATOM 1362 O VAL A 87 5.022 -9.528 -7.933 1.00 0.00 O ATOM 1363 CB VAL A 87 7.969 -10.176 -7.490 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.479 -10.187 -7.738 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.639 -9.115 -6.435 1.00 0.00 C ATOM 0 H VAL A 87 7.867 -7.878 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 87 7.679 -10.467 -9.596 1.00 0.00 H new ATOM 0 HB VAL A 87 7.644 -11.152 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.999 -10.411 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.720 -10.948 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.795 -9.210 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.162 -9.349 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.956 -8.135 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.564 -9.105 -6.253 1.00 0.00 H new ATOM 1375 N LYS A 88 5.329 -11.250 -9.348 1.00 0.00 N ATOM 1376 CA LYS A 88 3.930 -11.670 -9.289 1.00 0.00 C ATOM 1377 C LYS A 88 3.610 -12.288 -7.926 1.00 0.00 C ATOM 1378 O LYS A 88 4.268 -13.232 -7.488 1.00 0.00 O ATOM 1379 CB LYS A 88 3.634 -12.685 -10.397 1.00 0.00 C ATOM 1380 CG LYS A 88 4.525 -13.918 -10.231 1.00 0.00 C ATOM 1381 CD LYS A 88 4.927 -14.452 -11.609 1.00 0.00 C ATOM 1382 CE LYS A 88 5.600 -15.818 -11.451 1.00 0.00 C ATOM 1383 NZ LYS A 88 7.053 -15.675 -11.149 1.00 0.00 N ATOM 0 H LYS A 88 5.921 -11.821 -9.952 1.00 0.00 H new ATOM 0 HA LYS A 88 3.303 -10.790 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.585 -12.978 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.806 -12.231 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.415 -13.661 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.995 -14.689 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.048 -14.540 -12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.607 -13.754 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.113 -16.375 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.472 -16.397 -12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.481 -16.617 -11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.520 -15.164 -11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.173 -15.143 -10.263 1.00 0.00 H new ATOM 1397 N LYS A 89 2.594 -11.742 -7.260 1.00 0.00 N ATOM 1398 CA LYS A 89 2.197 -12.246 -5.945 1.00 0.00 C ATOM 1399 C LYS A 89 0.977 -13.156 -6.054 1.00 0.00 C ATOM 1400 O LYS A 89 0.477 -13.429 -7.145 1.00 0.00 O ATOM 1401 CB LYS A 89 1.869 -11.087 -5.000 1.00 0.00 C ATOM 1402 CG LYS A 89 3.129 -10.676 -4.233 1.00 0.00 C ATOM 1403 CD LYS A 89 4.179 -10.123 -5.206 1.00 0.00 C ATOM 1404 CE LYS A 89 5.309 -11.141 -5.382 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.205 -11.168 -4.191 1.00 0.00 N ATOM 0 H LYS A 89 2.036 -10.960 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 89 3.036 -12.817 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.484 -10.240 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.087 -11.384 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.880 -9.922 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.534 -11.534 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.718 -9.908 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.580 -9.183 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.886 -12.132 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.889 -10.893 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.998 -11.817 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.573 -10.212 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.670 -11.494 -3.361 1.00 0.00 H new ATOM 1419 N ASP A 90 0.509 -13.625 -4.898 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.652 -14.510 -4.849 1.00 0.00 C ATOM 1421 C ASP A 90 -1.920 -13.795 -5.319 1.00 0.00 C ATOM 1422 O ASP A 90 -2.906 -14.438 -5.679 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.870 -15.020 -3.424 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.967 -13.835 -2.469 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.064 -13.420 -1.965 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.071 -13.360 -2.255 1.00 0.00 O ATOM 0 H ASP A 90 0.914 -13.408 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.452 -15.347 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.782 -15.616 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.047 -15.672 -3.130 1.00 0.00 H new ATOM 1431 N THR A 91 -1.896 -12.461 -5.314 1.00 0.00 N ATOM 1432 CA THR A 91 -3.062 -11.693 -5.745 1.00 0.00 C ATOM 1433 C THR A 91 -2.620 -10.487 -6.576 1.00 0.00 C ATOM 1434 O THR A 91 -1.545 -9.931 -6.351 1.00 0.00 O ATOM 1435 CB THR A 91 -3.880 -11.213 -4.534 1.00 0.00 C ATOM 1436 OG1 THR A 91 -4.812 -10.227 -4.954 1.00 0.00 O ATOM 1437 CG2 THR A 91 -2.957 -10.613 -3.467 1.00 0.00 C ATOM 0 H THR A 91 -1.096 -11.899 -5.022 1.00 0.00 H new ATOM 0 HA THR A 91 -3.690 -12.343 -6.355 1.00 0.00 H new ATOM 0 HB THR A 91 -4.407 -12.066 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.674 -10.384 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.552 -10.279 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.244 -11.368 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.417 -9.765 -3.888 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.437 -10.077 -7.557 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.111 -8.938 -8.434 1.00 0.00 C ATOM 1447 C PRO A 92 -3.073 -7.604 -7.694 1.00 0.00 C ATOM 1448 O PRO A 92 -2.219 -6.759 -7.963 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.228 -8.947 -9.474 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.364 -9.637 -8.806 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.745 -10.666 -7.909 1.00 0.00 C ATOM 0 HA PRO A 92 -2.114 -9.041 -8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.500 -7.934 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.922 -9.473 -10.378 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.968 -8.932 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.024 -10.102 -9.538 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.355 -10.846 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.630 -11.624 -8.417 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.005 -7.417 -6.764 1.00 0.00 N ATOM 1460 CA GLN A 93 -4.055 -6.171 -6.002 1.00 0.00 C ATOM 1461 C GLN A 93 -2.750 -5.949 -5.232 1.00 0.00 C ATOM 1462 O GLN A 93 -2.389 -4.816 -4.917 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.238 -6.172 -5.027 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.091 -7.318 -4.023 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.459 -7.925 -3.729 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.106 -8.475 -4.620 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -6.942 -7.858 -2.519 1.00 0.00 N ATOM 0 H GLN A 93 -4.724 -8.098 -6.522 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.187 -5.355 -6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.285 -5.220 -4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.173 -6.278 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.423 -8.081 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.640 -6.951 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.406 -7.402 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.856 -8.261 -2.311 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.040 -7.039 -4.942 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.775 -6.934 -4.223 1.00 0.00 C ATOM 1478 C HIS A 94 0.313 -6.425 -5.161 1.00 0.00 C ATOM 1479 O HIS A 94 1.001 -5.447 -4.867 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.351 -8.293 -3.663 1.00 0.00 C ATOM 1481 CG HIS A 94 0.566 -8.078 -2.490 1.00 0.00 C ATOM 1482 ND1 HIS A 94 1.937 -7.947 -2.638 1.00 0.00 N ATOM 1483 CD2 HIS A 94 0.321 -7.965 -1.144 1.00 0.00 C ATOM 1484 CE1 HIS A 94 2.461 -7.765 -1.412 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.519 -7.768 -0.464 1.00 0.00 N ATOM 0 H HIS A 94 -2.315 -7.989 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.913 -6.237 -3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.228 -8.863 -3.355 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.154 -8.876 -4.433 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.455 -7.982 -3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.654 -8.021 -0.683 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.515 -7.633 -1.218 1.00 0.00 H new ATOM 1493 N SER A 95 0.452 -7.100 -6.303 1.00 0.00 N ATOM 1494 CA SER A 95 1.454 -6.722 -7.309 1.00 0.00 C ATOM 1495 C SER A 95 1.414 -5.218 -7.597 1.00 0.00 C ATOM 1496 O SER A 95 2.424 -4.614 -7.958 1.00 0.00 O ATOM 1497 CB SER A 95 1.212 -7.488 -8.610 1.00 0.00 C ATOM 1498 OG SER A 95 0.113 -6.910 -9.304 1.00 0.00 O ATOM 0 H SER A 95 -0.114 -7.910 -6.557 1.00 0.00 H new ATOM 0 HA SER A 95 2.435 -6.975 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.106 -7.458 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.008 -8.537 -8.394 1.00 0.00 H new ATOM 0 HG SER A 95 -0.590 -6.674 -8.664 1.00 0.00 H new ATOM 1504 N SER A 96 0.232 -4.625 -7.429 1.00 0.00 N ATOM 1505 CA SER A 96 0.067 -3.193 -7.672 1.00 0.00 C ATOM 1506 C SER A 96 0.956 -2.389 -6.728 1.00 0.00 C ATOM 1507 O SER A 96 1.729 -1.534 -7.158 1.00 0.00 O ATOM 1508 CB SER A 96 -1.392 -2.780 -7.462 1.00 0.00 C ATOM 1509 OG SER A 96 -1.676 -2.736 -6.070 1.00 0.00 O ATOM 0 H SER A 96 -0.615 -5.107 -7.129 1.00 0.00 H new ATOM 0 HA SER A 96 0.355 -2.989 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.573 -1.804 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.056 -3.488 -7.957 1.00 0.00 H new ATOM 0 HG SER A 96 -1.598 -3.637 -5.692 1.00 0.00 H new ATOM 1515 N ALA A 97 0.837 -2.677 -5.434 1.00 0.00 N ATOM 1516 CA ALA A 97 1.635 -1.979 -4.429 1.00 0.00 C ATOM 1517 C ALA A 97 3.121 -2.230 -4.666 1.00 0.00 C ATOM 1518 O ALA A 97 3.961 -1.363 -4.422 1.00 0.00 O ATOM 1519 CB ALA A 97 1.267 -2.461 -3.024 1.00 0.00 C ATOM 0 H ALA A 97 0.202 -3.382 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 97 1.426 -0.912 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.871 -1.931 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.211 -2.265 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.456 -3.532 -2.945 1.00 0.00 H new ATOM 1525 N ASP A 98 3.434 -3.431 -5.144 1.00 0.00 N ATOM 1526 CA ASP A 98 4.821 -3.798 -5.412 1.00 0.00 C ATOM 1527 C ASP A 98 5.424 -2.884 -6.474 1.00 0.00 C ATOM 1528 O ASP A 98 6.561 -2.432 -6.349 1.00 0.00 O ATOM 1529 CB ASP A 98 4.905 -5.246 -5.898 1.00 0.00 C ATOM 1530 CG ASP A 98 4.965 -6.183 -4.695 1.00 0.00 C ATOM 1531 OD1 ASP A 98 6.027 -6.287 -4.102 1.00 0.00 O ATOM 1532 OD2 ASP A 98 3.949 -6.783 -4.385 1.00 0.00 O ATOM 0 H ASP A 98 2.753 -4.161 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 98 5.381 -3.691 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.039 -5.485 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.788 -5.381 -6.522 1.00 0.00 H new ATOM 1537 N PHE A 99 4.651 -2.620 -7.525 1.00 0.00 N ATOM 1538 CA PHE A 99 5.127 -1.760 -8.607 1.00 0.00 C ATOM 1539 C PHE A 99 5.420 -0.356 -8.083 1.00 0.00 C ATOM 1540 O PHE A 99 6.563 0.101 -8.098 1.00 0.00 O ATOM 1541 CB PHE A 99 4.089 -1.662 -9.734 1.00 0.00 C ATOM 1542 CG PHE A 99 3.561 -3.036 -10.105 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.430 -4.132 -10.215 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.192 -3.206 -10.344 1.00 0.00 C ATOM 1545 CE1 PHE A 99 3.928 -5.392 -10.563 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.691 -4.466 -10.692 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.558 -5.558 -10.800 1.00 0.00 C ATOM 0 H PHE A 99 3.706 -2.983 -7.651 1.00 0.00 H new ATOM 0 HA PHE A 99 6.040 -2.206 -9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.264 -1.024 -9.419 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.539 -1.193 -10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.486 -4.004 -10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.521 -2.364 -10.260 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.597 -6.235 -10.649 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.635 -4.595 -10.877 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.170 -6.530 -11.066 1.00 0.00 H new ATOM 1557 N PHE A 100 4.373 0.321 -7.620 1.00 0.00 N ATOM 1558 CA PHE A 100 4.527 1.675 -7.093 1.00 0.00 C ATOM 1559 C PHE A 100 5.226 1.641 -5.733 1.00 0.00 C ATOM 1560 O PHE A 100 4.628 1.939 -4.698 1.00 0.00 O ATOM 1561 CB PHE A 100 3.158 2.348 -6.946 1.00 0.00 C ATOM 1562 CG PHE A 100 3.346 3.805 -6.593 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.996 4.665 -7.487 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.869 4.296 -5.372 1.00 0.00 C ATOM 1565 CE1 PHE A 100 4.170 6.015 -7.158 1.00 0.00 C ATOM 1566 CE2 PHE A 100 3.043 5.646 -5.043 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.693 6.506 -5.938 1.00 0.00 C ATOM 0 H PHE A 100 3.419 -0.040 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 100 5.135 2.247 -7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.595 2.258 -7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.577 1.848 -6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.363 4.287 -8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.366 3.633 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.673 6.678 -7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.676 6.024 -4.100 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.826 7.548 -5.686 1.00 0.00 H new ATOM 1577 N LYS A 101 6.506 1.273 -5.749 1.00 0.00 N ATOM 1578 CA LYS A 101 7.286 1.200 -4.515 1.00 0.00 C ATOM 1579 C LYS A 101 8.718 0.769 -4.811 1.00 0.00 C ATOM 1580 O LYS A 101 9.674 1.487 -4.517 1.00 0.00 O ATOM 1581 CB LYS A 101 6.663 0.199 -3.541 1.00 0.00 C ATOM 1582 CG LYS A 101 7.026 0.587 -2.107 1.00 0.00 C ATOM 1583 CD LYS A 101 6.043 -0.067 -1.137 1.00 0.00 C ATOM 1584 CE LYS A 101 4.779 0.788 -1.037 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.671 0.045 -0.372 1.00 0.00 N ATOM 0 H LYS A 101 7.021 1.023 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 101 7.288 2.193 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.580 0.184 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.022 -0.807 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.043 0.269 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.998 1.671 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.790 -1.070 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.502 -0.173 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.997 1.698 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.466 1.095 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.018 0.721 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.158 -0.519 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.064 -0.586 0.355 1.00 0.00 H new ATOM 1599 N CYS A 102 8.854 -0.420 -5.399 1.00 0.00 N ATOM 1600 CA CYS A 102 10.172 -0.963 -5.739 1.00 0.00 C ATOM 1601 C CYS A 102 10.982 0.035 -6.567 1.00 0.00 C ATOM 1602 O CYS A 102 12.134 0.333 -6.254 1.00 0.00 O ATOM 1603 CB CYS A 102 10.016 -2.258 -6.538 1.00 0.00 C ATOM 1604 SG CYS A 102 11.623 -3.072 -6.703 1.00 0.00 S ATOM 0 H CYS A 102 8.072 -1.025 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 102 10.701 -1.161 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.311 -2.922 -6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.605 -2.041 -7.524 1.00 0.00 H new ATOM 1609 N VAL A 103 10.361 0.545 -7.626 1.00 0.00 N ATOM 1610 CA VAL A 103 11.028 1.510 -8.498 1.00 0.00 C ATOM 1611 C VAL A 103 11.414 2.765 -7.718 1.00 0.00 C ATOM 1612 O VAL A 103 12.403 3.427 -8.031 1.00 0.00 O ATOM 1613 CB VAL A 103 10.116 1.902 -9.660 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.874 0.683 -10.552 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.778 2.406 -9.115 1.00 0.00 C ATOM 0 H VAL A 103 9.407 0.310 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 103 11.930 1.039 -8.889 1.00 0.00 H new ATOM 0 HB VAL A 103 10.591 2.692 -10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.224 0.962 -11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.826 0.323 -10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.400 -0.106 -9.969 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.129 2.685 -9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.302 1.617 -8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.948 3.275 -8.479 1.00 0.00 H new ATOM 1625 N HIS A 104 10.620 3.087 -6.699 1.00 0.00 N ATOM 1626 CA HIS A 104 10.887 4.267 -5.883 1.00 0.00 C ATOM 1627 C HIS A 104 11.875 3.930 -4.764 1.00 0.00 C ATOM 1628 O HIS A 104 11.578 4.080 -3.578 1.00 0.00 O ATOM 1629 CB HIS A 104 9.586 4.800 -5.272 1.00 0.00 C ATOM 1630 CG HIS A 104 8.950 5.780 -6.220 1.00 0.00 C ATOM 1631 ND1 HIS A 104 9.109 5.688 -7.595 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.152 6.876 -6.007 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.422 6.702 -8.151 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.819 7.457 -7.227 1.00 0.00 N ATOM 0 H HIS A 104 9.796 2.554 -6.422 1.00 0.00 H new ATOM 0 HA HIS A 104 11.321 5.033 -6.525 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.902 3.976 -5.071 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.792 5.283 -4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.831 7.233 -5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.365 6.884 -9.214 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.239 8.282 -7.383 1.00 0.00 H new ATOM 1642 N ASP A 105 13.059 3.472 -5.161 1.00 0.00 N ATOM 1643 CA ASP A 105 14.092 3.114 -4.192 1.00 0.00 C ATOM 1644 C ASP A 105 15.442 2.960 -4.886 1.00 0.00 C ATOM 1645 O ASP A 105 16.271 2.142 -4.490 1.00 0.00 O ATOM 1646 CB ASP A 105 13.737 1.799 -3.492 1.00 0.00 C ATOM 1647 CG ASP A 105 12.920 2.096 -2.238 1.00 0.00 C ATOM 1648 OD1 ASP A 105 13.499 2.581 -1.281 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.730 1.831 -2.255 1.00 0.00 O ATOM 0 H ASP A 105 13.326 3.341 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 105 14.152 3.913 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.169 1.158 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.646 1.258 -3.228 1.00 0.00 H new