USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 15 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.83) USER MOD Single : A 26 GLN : amide:sc=-0.00725 X(o=-0.0073,f=0) USER MOD Single : A 29 SER OG : rot 95:sc= 0.0175 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -28:sc= 0.528 USER MOD Single : A 38 SER OG : rot 180:sc= -0.551 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0895 USER MOD Single : A 55 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.042) USER MOD Single : A 57 ASN : amide:sc= 0.322 K(o=0.32,f=-2.7!) USER MOD Single : A 60 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.87) USER MOD Single : A 65 GLN : amide:sc= -2.26! C(o=-2.3!,f=-10!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-1.7) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2! C(o=-2!,f=-4.2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 84 THR OG1 : rot -19:sc= 0.888 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.384 K(o=-0.38,f=-4.4!) USER MOD Single : A 95 SER OG : rot 43:sc= 0.112 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.121 -7.211 10.253 1.00 0.00 N ATOM 174 CA VAL A 14 -15.398 -5.996 9.496 1.00 0.00 C ATOM 175 C VAL A 14 -16.403 -6.261 8.380 1.00 0.00 C ATOM 176 O VAL A 14 -16.348 -7.294 7.713 1.00 0.00 O ATOM 177 CB VAL A 14 -14.112 -5.410 8.884 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.439 -4.234 7.976 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.143 -4.994 9.980 1.00 0.00 C ATOM 0 HA VAL A 14 -15.819 -5.276 10.197 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.634 -6.181 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.518 -3.834 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.093 -4.567 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.941 -3.457 8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.240 -4.582 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.611 -4.239 10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.883 -5.863 10.585 1.00 0.00 H new ATOM 189 N HIS A 15 -17.322 -5.321 8.183 1.00 0.00 N ATOM 190 CA HIS A 15 -18.340 -5.452 7.147 1.00 0.00 C ATOM 191 C HIS A 15 -18.430 -4.180 6.309 1.00 0.00 C ATOM 192 O HIS A 15 -18.904 -3.146 6.782 1.00 0.00 O ATOM 193 CB HIS A 15 -19.700 -5.760 7.774 1.00 0.00 C ATOM 194 CG HIS A 15 -19.839 -7.179 8.234 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.091 -8.215 7.716 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.646 -7.731 9.170 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.432 -9.343 8.313 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.374 -9.077 9.200 1.00 0.00 N ATOM 0 H HIS A 15 -17.383 -4.460 8.727 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.054 -6.277 6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.859 -5.094 8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.483 -5.544 7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.369 -7.210 9.780 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.012 -10.317 8.110 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.826 -9.760 9.808 1.00 0.00 H new ATOM 206 N ILE A 16 -17.971 -4.263 5.065 1.00 0.00 N ATOM 207 CA ILE A 16 -18.001 -3.119 4.162 1.00 0.00 C ATOM 208 C ILE A 16 -19.421 -2.592 3.989 1.00 0.00 C ATOM 209 O ILE A 16 -20.202 -3.130 3.202 1.00 0.00 O ATOM 210 CB ILE A 16 -17.426 -3.477 2.779 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.983 -3.970 2.915 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.495 -2.276 1.849 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.033 -2.919 3.445 1.00 0.00 C ATOM 0 H ILE A 16 -17.574 -5.110 4.659 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.381 -2.345 4.614 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.026 -4.279 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.964 -4.834 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.630 -4.309 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.085 -2.545 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.533 -1.966 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.916 -1.455 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.029 -3.338 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.023 -2.064 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.362 -2.597 4.433 1.00 0.00 H new ATOM 225 N ILE A 17 -19.749 -1.536 4.726 1.00 0.00 N ATOM 226 CA ILE A 17 -21.075 -0.935 4.651 1.00 0.00 C ATOM 227 C ILE A 17 -21.267 -0.191 3.334 1.00 0.00 C ATOM 228 O ILE A 17 -22.133 -0.541 2.533 1.00 0.00 O ATOM 229 CB ILE A 17 -21.318 0.040 5.818 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.905 -0.604 7.143 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.779 0.461 5.861 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.116 0.292 8.343 1.00 0.00 C ATOM 0 H ILE A 17 -19.115 -1.079 5.382 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.795 -1.751 4.714 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.708 0.930 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.473 -1.524 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.853 -0.884 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.935 1.150 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.043 0.954 4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.407 -0.419 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.802 -0.230 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.527 1.202 8.226 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.172 0.551 8.422 1.00 0.00 H new ATOM 244 N GLU A 18 -20.452 0.837 3.116 1.00 0.00 N ATOM 245 CA GLU A 18 -20.532 1.630 1.895 1.00 0.00 C ATOM 246 C GLU A 18 -19.172 1.709 1.208 1.00 0.00 C ATOM 247 O GLU A 18 -18.439 2.685 1.370 1.00 0.00 O ATOM 248 CB GLU A 18 -21.042 3.038 2.208 1.00 0.00 C ATOM 249 CG GLU A 18 -22.271 3.057 3.101 1.00 0.00 C ATOM 250 CD GLU A 18 -22.697 4.463 3.478 1.00 0.00 C ATOM 251 OE1 GLU A 18 -21.890 5.398 3.291 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.837 4.627 3.959 1.00 0.00 O ATOM 0 H GLU A 18 -19.729 1.140 3.769 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.233 1.140 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.245 3.605 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.275 3.547 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.094 2.557 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.065 2.488 4.008 1.00 0.00 H new ATOM 259 N ASP A 19 -18.843 0.677 0.440 1.00 0.00 N ATOM 260 CA ASP A 19 -17.571 0.629 -0.273 1.00 0.00 C ATOM 261 C ASP A 19 -17.360 1.898 -1.093 1.00 0.00 C ATOM 262 O ASP A 19 -18.317 2.588 -1.446 1.00 0.00 O ATOM 263 CB ASP A 19 -17.520 -0.597 -1.185 1.00 0.00 C ATOM 264 CG ASP A 19 -16.101 -1.048 -1.470 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.478 -0.495 -2.400 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.612 -1.954 -0.763 1.00 0.00 O ATOM 0 H ASP A 19 -19.439 -0.138 0.295 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.771 0.557 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.072 -1.415 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.021 -0.368 -2.125 1.00 0.00 H new ATOM 271 N LEU A 20 -16.102 2.201 -1.391 1.00 0.00 N ATOM 272 CA LEU A 20 -15.764 3.388 -2.169 1.00 0.00 C ATOM 273 C LEU A 20 -16.549 3.424 -3.476 1.00 0.00 C ATOM 274 O LEU A 20 -17.236 2.464 -3.825 1.00 0.00 O ATOM 275 CB LEU A 20 -14.263 3.420 -2.462 1.00 0.00 C ATOM 276 CG LEU A 20 -13.341 3.200 -1.262 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.237 2.213 -1.611 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.748 4.521 -0.795 1.00 0.00 C ATOM 0 H LEU A 20 -15.298 1.641 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.032 4.266 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.042 2.658 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.021 4.384 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.932 2.781 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.591 2.069 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.679 1.259 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.649 2.604 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.095 4.345 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.173 4.968 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.551 5.198 -0.504 1.00 0.00 H new ATOM 290 N GLU A 21 -16.441 4.536 -4.195 1.00 0.00 N ATOM 291 CA GLU A 21 -17.140 4.696 -5.465 1.00 0.00 C ATOM 292 C GLU A 21 -16.151 4.892 -6.610 1.00 0.00 C ATOM 293 O GLU A 21 -15.919 3.983 -7.407 1.00 0.00 O ATOM 294 CB GLU A 21 -18.101 5.884 -5.397 1.00 0.00 C ATOM 295 CG GLU A 21 -19.201 5.720 -4.361 1.00 0.00 C ATOM 296 CD GLU A 21 -20.464 6.474 -4.727 1.00 0.00 C ATOM 297 OE1 GLU A 21 -21.293 5.916 -5.475 1.00 0.00 O ATOM 298 OE2 GLU A 21 -20.624 7.623 -4.263 1.00 0.00 O ATOM 0 H GLU A 21 -15.876 5.340 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.711 3.787 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.533 6.787 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.555 6.029 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.434 4.661 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.840 6.071 -3.394 1.00 0.00 H new ATOM 305 N ASP A 22 -15.571 6.085 -6.685 1.00 0.00 N ATOM 306 CA ASP A 22 -14.607 6.402 -7.732 1.00 0.00 C ATOM 307 C ASP A 22 -14.092 7.830 -7.582 1.00 0.00 C ATOM 308 O ASP A 22 -14.687 8.645 -6.878 1.00 0.00 O ATOM 309 CB ASP A 22 -15.240 6.217 -9.112 1.00 0.00 C ATOM 310 CG ASP A 22 -16.637 6.800 -9.190 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.777 8.030 -9.026 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.590 6.026 -9.417 1.00 0.00 O ATOM 0 H ASP A 22 -15.752 6.848 -6.033 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.764 5.718 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.609 6.690 -9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.279 5.154 -9.351 1.00 0.00 H new ATOM 317 N VAL A 23 -12.980 8.126 -8.248 1.00 0.00 N ATOM 318 CA VAL A 23 -12.385 9.456 -8.190 1.00 0.00 C ATOM 319 C VAL A 23 -11.671 9.796 -9.493 1.00 0.00 C ATOM 320 O VAL A 23 -11.099 8.923 -10.146 1.00 0.00 O ATOM 321 CB VAL A 23 -11.385 9.572 -7.024 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.771 10.963 -6.983 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.065 9.241 -5.704 1.00 0.00 C ATOM 0 H VAL A 23 -12.473 7.463 -8.834 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.201 10.162 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.583 8.852 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.067 11.026 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.247 11.157 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.558 11.704 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.344 9.328 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.888 9.935 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.451 8.222 -5.739 1.00 0.00 H new ATOM 333 N ASP A 24 -11.709 11.071 -9.866 1.00 0.00 N ATOM 334 CA ASP A 24 -11.064 11.528 -11.092 1.00 0.00 C ATOM 335 C ASP A 24 -10.787 13.027 -11.033 1.00 0.00 C ATOM 336 O ASP A 24 -11.703 13.843 -11.140 1.00 0.00 O ATOM 337 CB ASP A 24 -11.939 11.205 -12.304 1.00 0.00 C ATOM 338 CG ASP A 24 -13.329 11.799 -12.190 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.101 11.340 -11.323 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.644 12.724 -12.968 1.00 0.00 O ATOM 0 H ASP A 24 -12.179 11.806 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.113 11.005 -11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.458 11.583 -13.206 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.017 10.123 -12.414 1.00 0.00 H new ATOM 345 N VAL A 25 -9.518 13.383 -10.862 1.00 0.00 N ATOM 346 CA VAL A 25 -9.120 14.784 -10.789 1.00 0.00 C ATOM 347 C VAL A 25 -7.706 14.982 -11.321 1.00 0.00 C ATOM 348 O VAL A 25 -6.965 14.018 -11.514 1.00 0.00 O ATOM 349 CB VAL A 25 -9.192 15.313 -9.344 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.594 15.138 -8.780 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.164 14.612 -8.469 1.00 0.00 C ATOM 0 H VAL A 25 -8.748 12.721 -10.771 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.820 15.345 -11.409 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.961 16.378 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.625 15.517 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.305 15.691 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.858 14.080 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.229 14.998 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.361 13.540 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.165 14.795 -8.864 1.00 0.00 H new ATOM 361 N GLN A 26 -7.338 16.237 -11.556 1.00 0.00 N ATOM 362 CA GLN A 26 -6.011 16.561 -12.067 1.00 0.00 C ATOM 363 C GLN A 26 -4.927 16.097 -11.099 1.00 0.00 C ATOM 364 O GLN A 26 -5.082 16.201 -9.883 1.00 0.00 O ATOM 365 CB GLN A 26 -5.887 18.067 -12.306 1.00 0.00 C ATOM 366 CG GLN A 26 -6.277 18.494 -13.712 1.00 0.00 C ATOM 367 CD GLN A 26 -7.193 19.701 -13.722 1.00 0.00 C ATOM 368 OE1 GLN A 26 -8.288 19.660 -14.284 1.00 0.00 O ATOM 369 NE2 GLN A 26 -6.750 20.787 -13.099 1.00 0.00 N ATOM 0 H GLN A 26 -7.940 17.046 -11.401 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.876 16.038 -13.014 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.516 18.593 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.859 18.373 -12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.376 18.722 -14.282 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.771 17.663 -14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.836 20.778 -12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.324 21.630 -13.074 1.00 0.00 H new ATOM 378 N GLU A 27 -3.830 15.585 -11.648 1.00 0.00 N ATOM 379 CA GLU A 27 -2.721 15.104 -10.833 1.00 0.00 C ATOM 380 C GLU A 27 -2.163 16.224 -9.960 1.00 0.00 C ATOM 381 O GLU A 27 -2.131 17.385 -10.365 1.00 0.00 O ATOM 382 CB GLU A 27 -1.614 14.535 -11.722 1.00 0.00 C ATOM 383 CG GLU A 27 -0.692 15.596 -12.299 1.00 0.00 C ATOM 384 CD GLU A 27 0.613 15.713 -11.536 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.598 16.263 -10.415 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.650 15.254 -12.060 1.00 0.00 O ATOM 0 H GLU A 27 -3.686 15.493 -12.654 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.097 14.313 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.022 13.827 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.068 13.976 -12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.479 15.359 -13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.202 16.559 -12.289 1.00 0.00 H new ATOM 393 N GLY A 28 -1.723 15.865 -8.757 1.00 0.00 N ATOM 394 CA GLY A 28 -1.172 16.850 -7.844 1.00 0.00 C ATOM 395 C GLY A 28 -2.214 17.405 -6.893 1.00 0.00 C ATOM 396 O GLY A 28 -1.875 18.008 -5.874 1.00 0.00 O ATOM 0 H GLY A 28 -1.738 14.910 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.365 16.397 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.735 17.668 -8.417 1.00 0.00 H new ATOM 400 N SER A 29 -3.485 17.203 -7.225 1.00 0.00 N ATOM 401 CA SER A 29 -4.579 17.693 -6.396 1.00 0.00 C ATOM 402 C SER A 29 -4.894 16.707 -5.275 1.00 0.00 C ATOM 403 O SER A 29 -4.173 15.730 -5.071 1.00 0.00 O ATOM 404 CB SER A 29 -5.827 17.929 -7.248 1.00 0.00 C ATOM 405 OG SER A 29 -5.569 18.861 -8.283 1.00 0.00 O ATOM 0 H SER A 29 -3.782 16.703 -8.063 1.00 0.00 H new ATOM 0 HA SER A 29 -4.269 18.638 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.161 16.985 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.637 18.296 -6.618 1.00 0.00 H new ATOM 0 HG SER A 29 -5.336 18.381 -9.105 1.00 0.00 H new ATOM 411 N SER A 30 -5.976 16.971 -4.549 1.00 0.00 N ATOM 412 CA SER A 30 -6.386 16.110 -3.446 1.00 0.00 C ATOM 413 C SER A 30 -7.604 15.277 -3.831 1.00 0.00 C ATOM 414 O SER A 30 -8.702 15.805 -4.002 1.00 0.00 O ATOM 415 CB SER A 30 -6.699 16.950 -2.206 1.00 0.00 C ATOM 416 OG SER A 30 -7.093 18.263 -2.565 1.00 0.00 O ATOM 0 H SER A 30 -6.584 17.775 -4.705 1.00 0.00 H new ATOM 0 HA SER A 30 -5.562 15.433 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.493 16.473 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.821 16.994 -1.562 1.00 0.00 H new ATOM 0 HG SER A 30 -7.289 18.779 -1.755 1.00 0.00 H new ATOM 422 N ALA A 31 -7.400 13.970 -3.965 1.00 0.00 N ATOM 423 CA ALA A 31 -8.481 13.062 -4.328 1.00 0.00 C ATOM 424 C ALA A 31 -9.109 12.433 -3.088 1.00 0.00 C ATOM 425 O ALA A 31 -8.486 11.615 -2.411 1.00 0.00 O ATOM 426 CB ALA A 31 -7.970 11.981 -5.269 1.00 0.00 C ATOM 0 H ALA A 31 -6.497 13.517 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.250 13.640 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.788 11.310 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.575 12.443 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.180 11.414 -4.777 1.00 0.00 H new ATOM 432 N THR A 32 -10.346 12.820 -2.796 1.00 0.00 N ATOM 433 CA THR A 32 -11.057 12.296 -1.637 1.00 0.00 C ATOM 434 C THR A 32 -11.568 10.883 -1.898 1.00 0.00 C ATOM 435 O THR A 32 -12.071 10.584 -2.981 1.00 0.00 O ATOM 436 CB THR A 32 -12.246 13.196 -1.252 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.840 14.569 -1.251 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.788 12.821 0.119 1.00 0.00 C ATOM 0 H THR A 32 -10.877 13.495 -3.347 1.00 0.00 H new ATOM 0 HA THR A 32 -10.344 12.276 -0.812 1.00 0.00 H new ATOM 0 HB THR A 32 -13.036 13.051 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.602 15.135 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.627 13.471 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.123 11.784 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.003 12.940 0.866 1.00 0.00 H new ATOM 446 N PHE A 33 -11.436 10.017 -0.898 1.00 0.00 N ATOM 447 CA PHE A 33 -11.885 8.635 -1.020 1.00 0.00 C ATOM 448 C PHE A 33 -12.662 8.204 0.220 1.00 0.00 C ATOM 449 O PHE A 33 -12.086 7.687 1.178 1.00 0.00 O ATOM 450 CB PHE A 33 -10.688 7.706 -1.235 1.00 0.00 C ATOM 451 CG PHE A 33 -10.225 7.645 -2.662 1.00 0.00 C ATOM 452 CD1 PHE A 33 -10.778 6.733 -3.546 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.236 8.501 -3.120 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.354 6.675 -4.861 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.808 8.448 -4.433 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.367 7.533 -5.304 1.00 0.00 C ATOM 0 H PHE A 33 -11.022 10.248 0.005 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.548 8.569 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.862 8.040 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.954 6.702 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.550 6.059 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.795 9.218 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.794 5.960 -5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.037 9.121 -4.778 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.033 7.489 -6.330 1.00 0.00 H new ATOM 466 N ARG A 34 -13.973 8.421 0.195 1.00 0.00 N ATOM 467 CA ARG A 34 -14.829 8.057 1.317 1.00 0.00 C ATOM 468 C ARG A 34 -15.176 6.571 1.277 1.00 0.00 C ATOM 469 O ARG A 34 -15.176 5.952 0.212 1.00 0.00 O ATOM 470 CB ARG A 34 -16.111 8.891 1.300 1.00 0.00 C ATOM 471 CG ARG A 34 -16.115 10.022 2.315 1.00 0.00 C ATOM 472 CD ARG A 34 -17.096 11.117 1.925 1.00 0.00 C ATOM 473 NE ARG A 34 -16.605 12.445 2.286 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.259 13.569 2.013 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.423 13.526 1.380 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.748 14.739 2.373 1.00 0.00 N ATOM 0 H ARG A 34 -14.465 8.847 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.283 8.261 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.250 9.309 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.962 8.238 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.378 9.630 3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.113 10.442 2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.276 11.077 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.053 10.938 2.416 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.712 12.513 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.819 12.628 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.923 14.391 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.852 14.776 2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.251 15.601 2.163 1.00 0.00 H new ATOM 490 N CYS A 35 -15.470 6.006 2.443 1.00 0.00 N ATOM 491 CA CYS A 35 -15.817 4.593 2.541 1.00 0.00 C ATOM 492 C CYS A 35 -16.337 4.256 3.935 1.00 0.00 C ATOM 493 O CYS A 35 -15.677 4.531 4.937 1.00 0.00 O ATOM 494 CB CYS A 35 -14.602 3.724 2.213 1.00 0.00 C ATOM 495 SG CYS A 35 -13.145 4.082 3.222 1.00 0.00 S ATOM 0 H CYS A 35 -15.475 6.504 3.333 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.607 4.388 1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.872 2.676 2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.345 3.859 1.162 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.176 5.325 3.603 1.00 0.00 H new ATOM 501 N ARG A 36 -17.524 3.662 3.990 1.00 0.00 N ATOM 502 CA ARG A 36 -18.134 3.291 5.262 1.00 0.00 C ATOM 503 C ARG A 36 -17.866 1.824 5.586 1.00 0.00 C ATOM 504 O ARG A 36 -18.339 0.927 4.888 1.00 0.00 O ATOM 505 CB ARG A 36 -19.642 3.548 5.222 1.00 0.00 C ATOM 506 CG ARG A 36 -20.234 3.906 6.576 1.00 0.00 C ATOM 507 CD ARG A 36 -21.747 4.046 6.502 1.00 0.00 C ATOM 508 NE ARG A 36 -22.372 3.919 7.816 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.677 3.744 7.994 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.489 3.677 6.949 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.172 3.637 9.221 1.00 0.00 N ATOM 0 H ARG A 36 -18.083 3.427 3.170 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.688 3.905 6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.846 4.357 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.144 2.659 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.974 3.137 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.798 4.840 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.001 5.015 6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.150 3.285 5.834 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.775 3.967 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.113 3.760 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.490 3.543 7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.550 3.689 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.174 3.503 9.357 1.00 0.00 H new ATOM 525 N ILE A 37 -17.103 1.589 6.649 1.00 0.00 N ATOM 526 CA ILE A 37 -16.773 0.232 7.065 1.00 0.00 C ATOM 527 C ILE A 37 -17.031 0.036 8.555 1.00 0.00 C ATOM 528 O ILE A 37 -16.635 0.861 9.378 1.00 0.00 O ATOM 529 CB ILE A 37 -15.301 -0.107 6.762 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.369 0.774 7.596 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.014 0.064 5.278 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.811 0.078 8.817 1.00 0.00 C ATOM 0 H ILE A 37 -16.703 2.320 7.237 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.417 -0.438 6.496 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.120 -1.148 7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.542 1.109 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.911 1.665 7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.970 -0.179 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.658 -0.602 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.208 1.096 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.159 0.762 9.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.631 -0.233 9.465 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.240 -0.798 8.508 1.00 0.00 H new ATOM 544 N SER A 38 -17.696 -1.063 8.895 1.00 0.00 N ATOM 545 CA SER A 38 -18.010 -1.367 10.287 1.00 0.00 C ATOM 546 C SER A 38 -16.924 -2.241 10.909 1.00 0.00 C ATOM 547 O SER A 38 -16.242 -3.007 10.229 1.00 0.00 O ATOM 548 CB SER A 38 -19.365 -2.071 10.385 1.00 0.00 C ATOM 549 OG SER A 38 -19.379 -3.004 11.451 1.00 0.00 O ATOM 0 H SER A 38 -18.028 -1.758 8.226 1.00 0.00 H new ATOM 0 HA SER A 38 -18.057 -0.427 10.837 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.152 -1.332 10.534 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.581 -2.582 9.447 1.00 0.00 H new ATOM 0 HG SER A 38 -20.256 -3.439 11.493 1.00 0.00 H new ATOM 555 N PRO A 39 -16.759 -2.122 12.235 1.00 0.00 N ATOM 556 CA PRO A 39 -17.565 -1.212 13.055 1.00 0.00 C ATOM 557 C PRO A 39 -17.239 0.253 12.785 1.00 0.00 C ATOM 558 O PRO A 39 -16.283 0.566 12.077 1.00 0.00 O ATOM 559 CB PRO A 39 -17.180 -1.591 14.488 1.00 0.00 C ATOM 560 CG PRO A 39 -15.815 -2.176 14.371 1.00 0.00 C ATOM 561 CD PRO A 39 -15.773 -2.867 13.036 1.00 0.00 C ATOM 0 HA PRO A 39 -18.630 -1.309 12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.182 -0.719 15.142 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.883 -2.309 14.910 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.052 -1.400 14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.621 -2.880 15.181 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.779 -2.823 12.592 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.038 -3.921 13.121 1.00 0.00 H new ATOM 569 N ALA A 40 -18.041 1.147 13.355 1.00 0.00 N ATOM 570 CA ALA A 40 -17.836 2.579 13.178 1.00 0.00 C ATOM 571 C ALA A 40 -16.656 3.072 14.009 1.00 0.00 C ATOM 572 O ALA A 40 -16.268 4.236 13.924 1.00 0.00 O ATOM 573 CB ALA A 40 -19.099 3.342 13.547 1.00 0.00 C ATOM 0 H ALA A 40 -18.838 0.904 13.943 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.608 2.761 12.128 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.932 4.410 13.410 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.920 3.018 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.352 3.145 14.589 1.00 0.00 H new ATOM 579 N ASN A 41 -16.090 2.178 14.813 1.00 0.00 N ATOM 580 CA ASN A 41 -14.954 2.523 15.660 1.00 0.00 C ATOM 581 C ASN A 41 -13.761 1.618 15.367 1.00 0.00 C ATOM 582 O ASN A 41 -13.004 1.260 16.269 1.00 0.00 O ATOM 583 CB ASN A 41 -15.341 2.413 17.137 1.00 0.00 C ATOM 584 CG ASN A 41 -16.462 3.363 17.513 1.00 0.00 C ATOM 585 OD1 ASN A 41 -17.626 2.970 17.583 1.00 0.00 O ATOM 586 ND2 ASN A 41 -16.114 4.621 17.757 1.00 0.00 N ATOM 0 H ASN A 41 -16.399 1.210 14.896 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.669 3.552 15.441 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.647 1.390 17.354 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.468 2.623 17.755 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.825 5.306 18.015 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.136 4.902 17.687 1.00 0.00 H new ATOM 593 N TYR A 42 -13.600 1.253 14.100 1.00 0.00 N ATOM 594 CA TYR A 42 -12.501 0.389 13.687 1.00 0.00 C ATOM 595 C TYR A 42 -11.267 1.211 13.328 1.00 0.00 C ATOM 596 O TYR A 42 -11.356 2.195 12.596 1.00 0.00 O ATOM 597 CB TYR A 42 -12.920 -0.470 12.493 1.00 0.00 C ATOM 598 CG TYR A 42 -11.885 -1.496 12.091 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.771 -1.133 11.344 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.020 -2.829 12.460 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.823 -2.067 10.975 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.076 -3.770 12.096 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.980 -3.384 11.353 1.00 0.00 C ATOM 604 OH TYR A 42 -9.037 -4.317 10.988 1.00 0.00 O ATOM 0 H TYR A 42 -14.217 1.542 13.341 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.251 -0.262 14.524 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.852 -0.982 12.734 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.124 0.180 11.642 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.644 -0.102 11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.877 -3.135 13.041 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.963 -1.768 10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.196 -4.802 12.392 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.296 -5.197 11.334 1.00 0.00 H new ATOM 614 N GLU A 43 -10.116 0.798 13.851 1.00 0.00 N ATOM 615 CA GLU A 43 -8.864 1.496 13.586 1.00 0.00 C ATOM 616 C GLU A 43 -7.704 0.828 14.319 1.00 0.00 C ATOM 617 O GLU A 43 -7.890 0.091 15.287 1.00 0.00 O ATOM 618 CB GLU A 43 -8.972 2.962 14.009 1.00 0.00 C ATOM 619 CG GLU A 43 -9.842 3.179 15.236 1.00 0.00 C ATOM 620 CD GLU A 43 -9.564 4.503 15.920 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.780 5.304 15.370 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.132 4.739 17.008 1.00 0.00 O ATOM 0 H GLU A 43 -10.025 -0.015 14.460 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.671 1.448 12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.973 3.348 14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.377 3.542 13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.892 3.138 14.945 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.675 2.367 15.943 1.00 0.00 H new ATOM 629 N PRO A 44 -6.476 1.091 13.846 1.00 0.00 N ATOM 630 CA PRO A 44 -6.242 1.966 12.693 1.00 0.00 C ATOM 631 C PRO A 44 -6.719 1.342 11.386 1.00 0.00 C ATOM 632 O PRO A 44 -7.176 0.199 11.362 1.00 0.00 O ATOM 633 CB PRO A 44 -4.721 2.137 12.681 1.00 0.00 C ATOM 634 CG PRO A 44 -4.197 0.920 13.362 1.00 0.00 C ATOM 635 CD PRO A 44 -5.222 0.553 14.400 1.00 0.00 C ATOM 0 HA PRO A 44 -6.789 2.905 12.776 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.340 2.216 11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.421 3.044 13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.053 0.106 12.651 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.229 1.117 13.822 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.277 -0.526 14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.989 0.994 15.369 1.00 0.00 H new ATOM 643 N VAL A 45 -6.609 2.100 10.299 1.00 0.00 N ATOM 644 CA VAL A 45 -7.028 1.621 8.988 1.00 0.00 C ATOM 645 C VAL A 45 -5.867 1.639 8.000 1.00 0.00 C ATOM 646 O VAL A 45 -4.985 2.495 8.077 1.00 0.00 O ATOM 647 CB VAL A 45 -8.182 2.470 8.422 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.479 2.165 9.156 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.846 3.951 8.509 1.00 0.00 C ATOM 0 H VAL A 45 -6.233 3.048 10.301 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.373 0.596 9.121 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.318 2.213 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.283 2.774 8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.725 1.110 9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.360 2.392 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.672 4.536 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.682 4.226 9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.943 4.154 7.934 1.00 0.00 H new ATOM 659 N HIS A 46 -5.873 0.689 7.070 1.00 0.00 N ATOM 660 CA HIS A 46 -4.820 0.596 6.065 1.00 0.00 C ATOM 661 C HIS A 46 -5.331 1.049 4.700 1.00 0.00 C ATOM 662 O HIS A 46 -6.500 0.853 4.368 1.00 0.00 O ATOM 663 CB HIS A 46 -4.295 -0.837 5.976 1.00 0.00 C ATOM 664 CG HIS A 46 -3.888 -1.409 7.299 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.207 -0.684 8.254 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.072 -2.642 7.825 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.987 -1.448 9.310 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.503 -2.641 9.075 1.00 0.00 N ATOM 0 H HIS A 46 -6.595 -0.027 6.992 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.005 1.255 6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.065 -1.471 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.440 -0.861 5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.573 -3.473 7.350 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.473 -1.148 10.211 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.482 -3.433 9.718 1.00 0.00 H new ATOM 676 N TRP A 47 -4.447 1.654 3.915 1.00 0.00 N ATOM 677 CA TRP A 47 -4.810 2.135 2.586 1.00 0.00 C ATOM 678 C TRP A 47 -3.702 1.842 1.580 1.00 0.00 C ATOM 679 O TRP A 47 -2.527 2.102 1.843 1.00 0.00 O ATOM 680 CB TRP A 47 -5.095 3.638 2.626 1.00 0.00 C ATOM 681 CG TRP A 47 -6.350 3.984 3.368 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.559 3.889 4.714 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.570 4.480 2.804 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.836 4.296 5.021 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.475 4.664 3.867 1.00 0.00 C ATOM 686 CE3 TRP A 47 -7.984 4.789 1.506 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.768 5.141 3.669 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.267 5.262 1.311 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.147 5.435 2.387 1.00 0.00 C ATOM 0 H TRP A 47 -3.475 1.823 4.175 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.711 1.609 2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.253 4.148 3.093 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.169 4.014 1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.829 3.545 5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.242 4.320 5.957 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.313 4.660 0.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.448 5.274 4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.597 5.503 0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.144 5.807 2.202 1.00 0.00 H new ATOM 700 N PHE A 48 -4.083 1.300 0.428 1.00 0.00 N ATOM 701 CA PHE A 48 -3.121 0.971 -0.617 1.00 0.00 C ATOM 702 C PHE A 48 -3.583 1.506 -1.969 1.00 0.00 C ATOM 703 O PHE A 48 -4.759 1.819 -2.157 1.00 0.00 O ATOM 704 CB PHE A 48 -2.921 -0.544 -0.697 1.00 0.00 C ATOM 705 CG PHE A 48 -2.411 -1.149 0.580 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.276 -1.421 1.628 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.066 -1.447 0.732 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.808 -1.977 2.803 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.593 -2.004 1.905 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.466 -2.270 2.942 1.00 0.00 C ATOM 0 H PHE A 48 -5.051 1.079 0.195 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.172 1.443 -0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.869 -1.014 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.220 -0.768 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.327 -1.196 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.379 -1.241 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.492 -2.182 3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.458 -2.231 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.100 -2.706 3.860 1.00 0.00 H new ATOM 720 N LEU A 49 -2.648 1.609 -2.908 1.00 0.00 N ATOM 721 CA LEU A 49 -2.958 2.107 -4.244 1.00 0.00 C ATOM 722 C LEU A 49 -2.229 1.295 -5.310 1.00 0.00 C ATOM 723 O LEU A 49 -1.026 1.458 -5.513 1.00 0.00 O ATOM 724 CB LEU A 49 -2.575 3.584 -4.361 1.00 0.00 C ATOM 725 CG LEU A 49 -2.858 4.246 -5.709 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.678 4.064 -6.652 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.128 3.678 -6.326 1.00 0.00 C ATOM 0 H LEU A 49 -1.670 1.355 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.031 2.003 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.106 4.139 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.510 3.681 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.004 5.314 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.898 4.542 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.789 4.519 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.500 3.000 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.314 4.161 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.011 2.605 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.970 3.861 -5.658 1.00 0.00 H new ATOM 739 N ASP A 50 -2.966 0.423 -5.988 1.00 0.00 N ATOM 740 CA ASP A 50 -2.391 -0.412 -7.036 1.00 0.00 C ATOM 741 C ASP A 50 -1.421 -1.432 -6.448 1.00 0.00 C ATOM 742 O ASP A 50 -1.759 -2.606 -6.288 1.00 0.00 O ATOM 743 CB ASP A 50 -1.672 0.454 -8.072 1.00 0.00 C ATOM 744 CG ASP A 50 -2.385 0.469 -9.410 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.625 0.323 -9.422 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.703 0.625 -10.444 1.00 0.00 O ATOM 0 H ASP A 50 -3.963 0.276 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.204 -0.949 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.591 1.474 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.656 0.083 -8.209 1.00 0.00 H new ATOM 751 N LYS A 51 -0.215 -0.977 -6.127 1.00 0.00 N ATOM 752 CA LYS A 51 0.805 -1.849 -5.555 1.00 0.00 C ATOM 753 C LYS A 51 1.752 -1.061 -4.656 1.00 0.00 C ATOM 754 O LYS A 51 2.963 -1.286 -4.663 1.00 0.00 O ATOM 755 CB LYS A 51 1.597 -2.539 -6.668 1.00 0.00 C ATOM 756 CG LYS A 51 0.731 -3.343 -7.622 1.00 0.00 C ATOM 757 CD LYS A 51 1.555 -3.954 -8.743 1.00 0.00 C ATOM 758 CE LYS A 51 0.735 -4.933 -9.568 1.00 0.00 C ATOM 759 NZ LYS A 51 1.593 -5.768 -10.454 1.00 0.00 N ATOM 0 H LYS A 51 0.081 -0.009 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 51 0.304 -2.606 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.144 -1.785 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.338 -3.200 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.220 -4.134 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.040 -2.699 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.936 -3.163 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.420 -4.467 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.164 -5.579 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.015 -4.383 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.996 -6.422 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.119 -5.153 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.264 -6.313 -9.875 1.00 0.00 H new ATOM 773 N THR A 52 1.193 -0.138 -3.879 1.00 0.00 N ATOM 774 CA THR A 52 1.988 0.682 -2.974 1.00 0.00 C ATOM 775 C THR A 52 1.169 1.115 -1.763 1.00 0.00 C ATOM 776 O THR A 52 0.040 1.591 -1.885 1.00 0.00 O ATOM 777 CB THR A 52 2.534 1.935 -3.685 1.00 0.00 C ATOM 778 OG1 THR A 52 3.218 1.558 -4.885 1.00 0.00 O ATOM 779 CG2 THR A 52 3.482 2.702 -2.775 1.00 0.00 C ATOM 0 H THR A 52 0.193 0.060 -3.859 1.00 0.00 H new ATOM 0 HA THR A 52 2.825 0.068 -2.643 1.00 0.00 H new ATOM 0 HB THR A 52 1.692 2.581 -3.935 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.561 2.360 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.855 3.583 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.951 3.012 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.320 2.061 -2.499 1.00 0.00 H new ATOM 787 N PRO A 53 1.749 0.949 -0.565 1.00 0.00 N ATOM 788 CA PRO A 53 1.091 1.318 0.691 1.00 0.00 C ATOM 789 C PRO A 53 0.961 2.828 0.856 1.00 0.00 C ATOM 790 O PRO A 53 1.734 3.595 0.280 1.00 0.00 O ATOM 791 CB PRO A 53 2.022 0.742 1.762 1.00 0.00 C ATOM 792 CG PRO A 53 3.358 0.676 1.106 1.00 0.00 C ATOM 793 CD PRO A 53 3.093 0.387 -0.346 1.00 0.00 C ATOM 0 HA PRO A 53 0.071 0.937 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.047 1.377 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.691 -0.245 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.898 1.616 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.974 -0.104 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.835 0.857 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.120 -0.683 -0.555 1.00 0.00 H new ATOM 801 N LEU A 54 -0.021 3.250 1.645 1.00 0.00 N ATOM 802 CA LEU A 54 -0.253 4.670 1.885 1.00 0.00 C ATOM 803 C LEU A 54 -0.413 4.951 3.376 1.00 0.00 C ATOM 804 O LEU A 54 -1.188 4.285 4.064 1.00 0.00 O ATOM 805 CB LEU A 54 -1.497 5.139 1.130 1.00 0.00 C ATOM 806 CG LEU A 54 -1.484 4.924 -0.384 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.898 4.719 -0.906 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.820 6.100 -1.085 1.00 0.00 C ATOM 0 H LEU A 54 -0.669 2.629 2.129 1.00 0.00 H new ATOM 0 HA LEU A 54 0.614 5.221 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.364 4.623 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.636 6.202 1.325 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.905 4.026 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.869 4.568 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.339 3.844 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.501 5.598 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.820 5.929 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.371 7.014 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.207 6.200 -0.734 1.00 0.00 H new ATOM 820 N HIS A 55 0.322 5.942 3.869 1.00 0.00 N ATOM 821 CA HIS A 55 0.259 6.313 5.278 1.00 0.00 C ATOM 822 C HIS A 55 0.132 7.825 5.437 1.00 0.00 C ATOM 823 O HIS A 55 0.700 8.591 4.659 1.00 0.00 O ATOM 824 CB HIS A 55 1.503 5.815 6.015 1.00 0.00 C ATOM 825 CG HIS A 55 1.844 4.387 5.716 1.00 0.00 C ATOM 826 ND1 HIS A 55 3.053 3.998 5.180 1.00 0.00 N ATOM 827 CD2 HIS A 55 1.126 3.252 5.883 1.00 0.00 C ATOM 828 CE1 HIS A 55 3.064 2.686 5.029 1.00 0.00 C ATOM 829 NE2 HIS A 55 1.906 2.209 5.449 1.00 0.00 N ATOM 0 H HIS A 55 0.968 6.503 3.314 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.624 5.844 5.712 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.351 6.446 5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.348 5.926 7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.125 3.180 6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.881 2.103 4.630 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.635 1.226 5.451 1.00 0.00 H new ATOM 837 N ALA A 56 -0.618 8.248 6.449 1.00 0.00 N ATOM 838 CA ALA A 56 -0.819 9.668 6.710 1.00 0.00 C ATOM 839 C ALA A 56 0.514 10.400 6.819 1.00 0.00 C ATOM 840 O ALA A 56 1.427 9.947 7.507 1.00 0.00 O ATOM 841 CB ALA A 56 -1.635 9.861 7.980 1.00 0.00 C ATOM 0 H ALA A 56 -1.097 7.627 7.102 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.369 10.092 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.777 10.926 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.606 9.380 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.107 9.416 8.823 1.00 0.00 H new ATOM 847 N ASN A 57 0.618 11.535 6.134 1.00 0.00 N ATOM 848 CA ASN A 57 1.841 12.329 6.153 1.00 0.00 C ATOM 849 C ASN A 57 1.551 13.782 5.789 1.00 0.00 C ATOM 850 O ASN A 57 0.394 14.193 5.708 1.00 0.00 O ATOM 851 CB ASN A 57 2.869 11.744 5.183 1.00 0.00 C ATOM 852 CG ASN A 57 4.274 11.756 5.753 1.00 0.00 C ATOM 853 OD1 ASN A 57 5.002 12.740 5.619 1.00 0.00 O ATOM 854 ND2 ASN A 57 4.662 10.660 6.394 1.00 0.00 N ATOM 0 H ASN A 57 -0.129 11.925 5.560 1.00 0.00 H new ATOM 0 HA ASN A 57 2.248 12.300 7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.589 10.720 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.852 12.313 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.597 10.610 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.025 9.868 6.481 1.00 0.00 H new ATOM 861 N GLU A 58 2.611 14.554 5.569 1.00 0.00 N ATOM 862 CA GLU A 58 2.470 15.961 5.214 1.00 0.00 C ATOM 863 C GLU A 58 1.545 16.129 4.012 1.00 0.00 C ATOM 864 O GLU A 58 0.885 17.158 3.860 1.00 0.00 O ATOM 865 CB GLU A 58 3.838 16.573 4.908 1.00 0.00 C ATOM 866 CG GLU A 58 3.763 17.977 4.332 1.00 0.00 C ATOM 867 CD GLU A 58 4.761 18.924 4.970 1.00 0.00 C ATOM 868 OE1 GLU A 58 5.776 18.439 5.513 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.526 20.150 4.926 1.00 0.00 O ATOM 0 H GLU A 58 3.576 14.229 5.630 1.00 0.00 H new ATOM 0 HA GLU A 58 2.030 16.481 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.429 16.596 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.365 15.929 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.943 17.935 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.756 18.369 4.471 1.00 0.00 H new ATOM 876 N LEU A 59 1.503 15.111 3.159 1.00 0.00 N ATOM 877 CA LEU A 59 0.660 15.144 1.969 1.00 0.00 C ATOM 878 C LEU A 59 -0.530 14.201 2.118 1.00 0.00 C ATOM 879 O LEU A 59 -1.657 14.548 1.768 1.00 0.00 O ATOM 880 CB LEU A 59 1.475 14.763 0.732 1.00 0.00 C ATOM 881 CG LEU A 59 2.849 15.423 0.604 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.705 14.680 -0.409 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.703 16.886 0.211 1.00 0.00 C ATOM 0 H LEU A 59 2.043 14.253 3.269 1.00 0.00 H new ATOM 0 HA LEU A 59 0.283 16.160 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.612 13.682 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.891 15.011 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 59 3.346 15.376 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.679 15.164 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.837 13.647 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.213 14.695 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.690 17.340 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.186 16.956 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.128 17.412 0.973 1.00 0.00 H new ATOM 895 N ASN A 60 -0.270 13.007 2.642 1.00 0.00 N ATOM 896 CA ASN A 60 -1.320 12.015 2.839 1.00 0.00 C ATOM 897 C ASN A 60 -2.193 12.377 4.038 1.00 0.00 C ATOM 898 O ASN A 60 -1.687 12.660 5.123 1.00 0.00 O ATOM 899 CB ASN A 60 -0.708 10.627 3.041 1.00 0.00 C ATOM 900 CG ASN A 60 0.242 10.246 1.922 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.374 10.725 1.863 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.217 9.380 1.026 1.00 0.00 N ATOM 0 H ASN A 60 0.658 12.704 2.937 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.946 12.003 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.174 10.603 3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.506 9.887 3.105 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.376 9.087 0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.163 9.008 1.114 1.00 0.00 H new ATOM 909 N GLU A 61 -3.506 12.363 3.832 1.00 0.00 N ATOM 910 CA GLU A 61 -4.449 12.691 4.895 1.00 0.00 C ATOM 911 C GLU A 61 -5.484 11.582 5.065 1.00 0.00 C ATOM 912 O GLU A 61 -6.091 11.132 4.093 1.00 0.00 O ATOM 913 CB GLU A 61 -5.150 14.017 4.595 1.00 0.00 C ATOM 914 CG GLU A 61 -5.285 14.922 5.808 1.00 0.00 C ATOM 915 CD GLU A 61 -6.019 14.256 6.955 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.251 14.077 6.848 1.00 0.00 O ATOM 917 OE2 GLU A 61 -5.362 13.913 7.960 1.00 0.00 O ATOM 0 H GLU A 61 -3.941 12.128 2.940 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.889 12.788 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.595 14.544 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.142 13.811 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.293 15.224 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.815 15.830 5.521 1.00 0.00 H new ATOM 924 N ILE A 62 -5.678 11.147 6.305 1.00 0.00 N ATOM 925 CA ILE A 62 -6.639 10.092 6.603 1.00 0.00 C ATOM 926 C ILE A 62 -7.516 10.467 7.793 1.00 0.00 C ATOM 927 O ILE A 62 -7.175 10.185 8.942 1.00 0.00 O ATOM 928 CB ILE A 62 -5.934 8.756 6.900 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.111 8.308 5.690 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.954 7.691 7.277 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.716 7.845 6.046 1.00 0.00 C ATOM 0 H ILE A 62 -5.183 11.509 7.120 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.263 9.975 5.717 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.258 8.899 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.636 7.498 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.041 9.134 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.440 6.752 7.484 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.501 8.009 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.653 7.548 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.191 7.543 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.173 8.660 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.777 6.998 6.730 1.00 0.00 H new ATOM 943 N ASP A 63 -8.647 11.103 7.510 1.00 0.00 N ATOM 944 CA ASP A 63 -9.576 11.514 8.556 1.00 0.00 C ATOM 945 C ASP A 63 -10.371 10.321 9.077 1.00 0.00 C ATOM 946 O ASP A 63 -10.271 9.216 8.545 1.00 0.00 O ATOM 947 CB ASP A 63 -10.530 12.587 8.029 1.00 0.00 C ATOM 948 CG ASP A 63 -10.186 13.971 8.543 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.742 14.079 9.705 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.361 14.947 7.784 1.00 0.00 O ATOM 0 H ASP A 63 -8.943 11.345 6.564 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.995 11.929 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.502 12.590 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.550 12.337 8.321 1.00 0.00 H new ATOM 955 N ALA A 64 -11.158 10.552 10.122 1.00 0.00 N ATOM 956 CA ALA A 64 -11.971 9.497 10.715 1.00 0.00 C ATOM 957 C ALA A 64 -13.317 10.038 11.183 1.00 0.00 C ATOM 958 O ALA A 64 -13.633 9.995 12.372 1.00 0.00 O ATOM 959 CB ALA A 64 -11.229 8.847 11.873 1.00 0.00 C ATOM 0 H ALA A 64 -11.250 11.461 10.576 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.159 8.744 9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.848 8.061 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.296 8.416 11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.011 9.598 12.633 1.00 0.00 H new ATOM 965 N GLN A 65 -14.105 10.547 10.242 1.00 0.00 N ATOM 966 CA GLN A 65 -15.417 11.098 10.560 1.00 0.00 C ATOM 967 C GLN A 65 -16.241 10.106 11.375 1.00 0.00 C ATOM 968 O GLN A 65 -15.993 8.900 11.364 1.00 0.00 O ATOM 969 CB GLN A 65 -16.164 11.468 9.277 1.00 0.00 C ATOM 970 CG GLN A 65 -15.717 12.789 8.673 1.00 0.00 C ATOM 971 CD GLN A 65 -14.607 12.619 7.654 1.00 0.00 C ATOM 972 OE1 GLN A 65 -13.712 11.793 7.827 1.00 0.00 O ATOM 973 NE2 GLN A 65 -14.661 13.404 6.584 1.00 0.00 N ATOM 0 H GLN A 65 -13.858 10.589 9.253 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.270 11.998 11.158 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.022 10.675 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.232 11.518 9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.570 13.274 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.376 13.451 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.422 14.075 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.941 13.336 5.864 1.00 0.00 H new ATOM 982 N PRO A 66 -17.245 10.624 12.098 1.00 0.00 N ATOM 983 CA PRO A 66 -18.126 9.800 12.932 1.00 0.00 C ATOM 984 C PRO A 66 -19.050 8.916 12.102 1.00 0.00 C ATOM 985 O PRO A 66 -19.394 9.252 10.969 1.00 0.00 O ATOM 986 CB PRO A 66 -18.938 10.833 13.718 1.00 0.00 C ATOM 987 CG PRO A 66 -18.925 12.054 12.864 1.00 0.00 C ATOM 988 CD PRO A 66 -17.597 12.052 12.158 1.00 0.00 C ATOM 0 HA PRO A 66 -17.564 9.111 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.956 10.485 13.896 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.493 11.027 14.694 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.747 12.039 12.149 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.045 12.954 13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.670 12.490 11.163 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.850 12.627 12.705 1.00 0.00 H new ATOM 996 N GLY A 67 -19.449 7.784 12.673 1.00 0.00 N ATOM 997 CA GLY A 67 -20.330 6.869 11.970 1.00 0.00 C ATOM 998 C GLY A 67 -19.573 5.896 11.089 1.00 0.00 C ATOM 999 O GLY A 67 -20.155 5.261 10.211 1.00 0.00 O ATOM 0 H GLY A 67 -19.178 7.484 13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.923 6.312 12.695 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.028 7.440 11.358 1.00 0.00 H new ATOM 1003 N GLY A 68 -18.269 5.781 11.322 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.452 4.878 10.532 1.00 0.00 C ATOM 1005 C GLY A 68 -17.177 5.412 9.140 1.00 0.00 C ATOM 1006 O GLY A 68 -17.298 4.685 8.154 1.00 0.00 O ATOM 0 H GLY A 68 -17.764 6.296 12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.506 4.706 11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.953 3.913 10.455 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.807 6.685 9.059 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.519 7.317 7.777 1.00 0.00 C ATOM 1012 C TYR A 69 -15.025 7.587 7.627 1.00 0.00 C ATOM 1013 O TYR A 69 -14.512 8.594 8.116 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.301 8.624 7.642 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.692 8.441 7.077 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.523 7.429 7.539 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.174 9.280 6.080 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.794 7.258 7.026 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.444 9.118 5.561 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.250 8.105 6.037 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.515 7.938 5.523 1.00 0.00 O ATOM 0 H TYR A 69 -16.699 7.300 9.866 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.828 6.634 6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.375 9.096 8.622 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.744 9.306 7.000 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.169 6.764 8.313 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.545 10.073 5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.427 6.466 7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.803 9.780 4.787 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.681 8.617 4.836 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.331 6.680 6.947 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.895 6.820 6.730 1.00 0.00 C ATOM 1033 C HIS A 70 -12.612 7.541 5.416 1.00 0.00 C ATOM 1034 O HIS A 70 -12.872 7.010 4.336 1.00 0.00 O ATOM 1035 CB HIS A 70 -12.222 5.448 6.727 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.127 4.825 8.086 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.255 5.270 9.058 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.800 3.787 8.634 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.396 4.531 10.144 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.328 3.624 9.913 1.00 0.00 N ATOM 0 H HIS A 70 -14.739 5.840 6.537 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.486 7.415 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.778 4.781 6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.220 5.545 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.566 3.196 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.843 4.649 11.064 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.645 2.918 10.577 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.079 8.755 5.515 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.760 9.549 4.334 1.00 0.00 C ATOM 1050 C VAL A 71 -10.254 9.618 4.109 1.00 0.00 C ATOM 1051 O VAL A 71 -9.476 9.703 5.060 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.317 10.980 4.453 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.068 11.758 3.170 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.800 10.948 4.788 1.00 0.00 C ATOM 0 H VAL A 71 -11.859 9.210 6.401 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.229 9.054 3.483 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.796 11.488 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.468 12.767 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.996 11.811 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.561 11.255 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.177 11.968 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.340 10.423 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.948 10.431 5.736 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.848 9.583 2.844 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.434 9.642 2.492 1.00 0.00 C ATOM 1066 C LEU A 72 -8.175 10.734 1.459 1.00 0.00 C ATOM 1067 O LEU A 72 -8.505 10.583 0.283 1.00 0.00 O ATOM 1068 CB LEU A 72 -7.965 8.290 1.950 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.524 8.233 1.444 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.594 7.730 2.537 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.427 7.349 0.210 1.00 0.00 C ATOM 0 H LEU A 72 -10.479 9.514 2.045 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.871 9.880 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.082 7.545 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.627 7.999 1.135 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.215 9.242 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.572 7.696 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.642 8.403 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.901 6.730 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.394 7.320 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.755 6.340 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.063 7.753 -0.578 1.00 0.00 H new ATOM 1083 N THR A 73 -7.580 11.836 1.907 1.00 0.00 N ATOM 1084 CA THR A 73 -7.276 12.953 1.022 1.00 0.00 C ATOM 1085 C THR A 73 -5.830 12.895 0.540 1.00 0.00 C ATOM 1086 O THR A 73 -4.942 13.509 1.132 1.00 0.00 O ATOM 1087 CB THR A 73 -7.518 14.305 1.720 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.659 14.214 2.580 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.734 15.410 0.698 1.00 0.00 C ATOM 0 H THR A 73 -7.299 11.978 2.877 1.00 0.00 H new ATOM 0 HA THR A 73 -7.946 12.869 0.166 1.00 0.00 H new ATOM 0 HB THR A 73 -6.635 14.547 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.806 15.077 3.021 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.903 16.355 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.852 15.496 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.602 15.172 0.083 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.601 12.153 -0.538 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.262 12.016 -1.101 1.00 0.00 C ATOM 1099 C LEU A 74 -3.834 13.297 -1.809 1.00 0.00 C ATOM 1100 O LEU A 74 -4.063 13.461 -3.008 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.217 10.840 -2.078 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.926 9.469 -1.466 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.277 8.361 -2.446 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.466 9.371 -1.047 1.00 0.00 C ATOM 0 H LEU A 74 -6.324 11.637 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.568 11.827 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.174 10.788 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.457 11.048 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.547 9.350 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.063 7.393 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.336 8.418 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.683 8.476 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.277 8.389 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.827 9.512 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.247 10.142 -0.308 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.211 14.201 -1.061 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.750 15.467 -1.618 1.00 0.00 C ATOM 1118 C ARG A 75 -1.452 15.278 -2.398 1.00 0.00 C ATOM 1119 O ARG A 75 -0.678 14.363 -2.119 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.542 16.494 -0.503 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.686 16.546 0.498 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.415 17.556 1.601 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.649 18.111 2.150 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.701 18.818 3.273 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.594 19.055 3.963 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.863 19.290 3.709 1.00 0.00 N ATOM 0 H ARG A 75 -3.014 14.080 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.515 15.833 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.618 16.261 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.415 17.481 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.610 16.808 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.833 15.559 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.846 17.078 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.797 18.364 1.209 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.519 17.947 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.699 18.694 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.637 19.598 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.717 19.110 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.902 19.833 4.572 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.223 16.149 -3.375 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.020 16.077 -4.195 1.00 0.00 C ATOM 1142 C GLN A 76 0.080 14.726 -4.897 1.00 0.00 C ATOM 1143 O GLN A 76 0.975 13.930 -4.609 1.00 0.00 O ATOM 1144 CB GLN A 76 1.224 16.312 -3.336 1.00 0.00 C ATOM 1145 CG GLN A 76 1.393 17.756 -2.892 1.00 0.00 C ATOM 1146 CD GLN A 76 2.846 18.140 -2.693 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.752 17.363 -2.998 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.076 19.342 -2.180 1.00 0.00 N ATOM 0 H GLN A 76 -1.854 16.912 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.081 16.857 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.172 15.673 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.107 16.008 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.946 18.415 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.849 17.911 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.295 19.953 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.034 19.655 -2.024 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.843 14.474 -5.818 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.859 13.219 -6.562 1.00 0.00 C ATOM 1159 C LEU A 77 -0.047 13.337 -7.848 1.00 0.00 C ATOM 1160 O LEU A 77 0.523 14.388 -8.139 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.298 12.816 -6.888 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.072 12.123 -5.767 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.560 12.099 -6.080 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.548 10.711 -5.551 1.00 0.00 C ATOM 0 H LEU A 77 -1.590 15.122 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.405 12.449 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.847 13.711 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.281 12.154 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.925 12.689 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.094 11.602 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.927 13.120 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.727 11.558 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.111 10.233 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.664 10.135 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.493 10.752 -5.279 1.00 0.00 H new ATOM 1176 N ALA A 78 -0.002 12.253 -8.614 1.00 0.00 N ATOM 1177 CA ALA A 78 0.736 12.236 -9.871 1.00 0.00 C ATOM 1178 C ALA A 78 0.082 11.297 -10.879 1.00 0.00 C ATOM 1179 O ALA A 78 -0.699 10.420 -10.510 1.00 0.00 O ATOM 1180 CB ALA A 78 2.182 11.830 -9.629 1.00 0.00 C ATOM 0 H ALA A 78 -0.468 11.375 -8.386 1.00 0.00 H new ATOM 0 HA ALA A 78 0.718 13.243 -10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.721 11.822 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.651 12.543 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.211 10.834 -9.186 1.00 0.00 H new ATOM 1186 N LEU A 79 0.406 11.487 -12.153 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.150 10.656 -13.216 1.00 0.00 C ATOM 1188 C LEU A 79 0.258 9.197 -13.037 1.00 0.00 C ATOM 1189 O LEU A 79 -0.345 8.296 -13.621 1.00 0.00 O ATOM 1190 CB LEU A 79 0.313 11.164 -14.583 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.458 12.355 -15.153 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.171 12.823 -16.456 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.920 11.992 -15.365 1.00 0.00 C ATOM 0 H LEU A 79 1.051 12.209 -12.475 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.237 10.719 -13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.365 11.440 -14.509 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.249 10.341 -15.295 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.408 13.173 -14.434 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.391 13.671 -16.847 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.203 13.124 -16.274 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.153 12.010 -17.182 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.453 12.852 -15.771 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.990 11.158 -16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.366 11.706 -14.412 1.00 0.00 H new ATOM 1205 N LYS A 80 1.285 8.971 -12.226 1.00 0.00 N ATOM 1206 CA LYS A 80 1.773 7.622 -11.966 1.00 0.00 C ATOM 1207 C LYS A 80 1.089 7.022 -10.742 1.00 0.00 C ATOM 1208 O LYS A 80 1.536 6.009 -10.203 1.00 0.00 O ATOM 1209 CB LYS A 80 3.289 7.636 -11.760 1.00 0.00 C ATOM 1210 CG LYS A 80 3.733 8.469 -10.570 1.00 0.00 C ATOM 1211 CD LYS A 80 5.072 9.140 -10.827 1.00 0.00 C ATOM 1212 CE LYS A 80 5.702 9.639 -9.536 1.00 0.00 C ATOM 1213 NZ LYS A 80 7.092 10.129 -9.751 1.00 0.00 N ATOM 0 H LYS A 80 1.796 9.705 -11.737 1.00 0.00 H new ATOM 0 HA LYS A 80 1.536 7.004 -12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.639 6.612 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.766 8.021 -12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.980 9.227 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.807 7.834 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.746 8.435 -11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.936 9.976 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.093 10.443 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.710 8.834 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.487 10.461 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.679 9.355 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.082 10.914 -10.433 1.00 0.00 H new ATOM 1227 N ASP A 81 0.002 7.652 -10.309 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.746 7.178 -9.150 1.00 0.00 C ATOM 1229 C ASP A 81 -2.089 6.592 -9.572 1.00 0.00 C ATOM 1230 O ASP A 81 -2.665 5.763 -8.867 1.00 0.00 O ATOM 1231 CB ASP A 81 -0.963 8.320 -8.156 1.00 0.00 C ATOM 1232 CG ASP A 81 -0.923 7.849 -6.715 1.00 0.00 C ATOM 1233 OD1 ASP A 81 0.187 7.765 -6.149 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.002 7.565 -6.154 1.00 0.00 O ATOM 0 H ASP A 81 -0.381 8.492 -10.743 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.163 6.393 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.197 9.081 -8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.925 8.792 -8.354 1.00 0.00 H new ATOM 1239 N SER A 82 -2.583 7.029 -10.726 1.00 0.00 N ATOM 1240 CA SER A 82 -3.861 6.551 -11.240 1.00 0.00 C ATOM 1241 C SER A 82 -3.904 5.026 -11.259 1.00 0.00 C ATOM 1242 O SER A 82 -3.183 4.383 -12.021 1.00 0.00 O ATOM 1243 CB SER A 82 -4.105 7.096 -12.649 1.00 0.00 C ATOM 1244 OG SER A 82 -2.889 7.211 -13.368 1.00 0.00 O ATOM 0 H SER A 82 -2.118 7.713 -11.323 1.00 0.00 H new ATOM 0 HA SER A 82 -4.648 6.911 -10.577 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.787 6.436 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.588 8.071 -12.587 1.00 0.00 H new ATOM 0 HG SER A 82 -3.071 7.560 -14.265 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.754 4.453 -10.412 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.875 3.009 -10.346 1.00 0.00 C ATOM 1252 C GLY A 83 -6.161 2.565 -9.676 1.00 0.00 C ATOM 1253 O GLY A 83 -7.243 2.679 -10.253 1.00 0.00 O ATOM 0 H GLY A 83 -5.361 4.964 -9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.833 2.597 -11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.025 2.601 -9.800 1.00 0.00 H new ATOM 1257 N THR A 84 -6.044 2.055 -8.453 1.00 0.00 N ATOM 1258 CA THR A 84 -7.205 1.590 -7.705 1.00 0.00 C ATOM 1259 C THR A 84 -6.898 1.498 -6.215 1.00 0.00 C ATOM 1260 O THR A 84 -6.044 0.717 -5.795 1.00 0.00 O ATOM 1261 CB THR A 84 -7.680 0.213 -8.205 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.955 0.270 -9.610 1.00 0.00 O ATOM 1263 CG2 THR A 84 -8.927 -0.234 -7.457 1.00 0.00 C ATOM 0 H THR A 84 -5.157 1.954 -7.960 1.00 0.00 H new ATOM 0 HA THR A 84 -7.998 2.320 -7.866 1.00 0.00 H new ATOM 0 HB THR A 84 -6.886 -0.510 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.075 1.204 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.244 -1.209 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.707 -0.305 -6.392 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.726 0.491 -7.615 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.599 2.300 -5.421 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.402 2.307 -3.977 1.00 0.00 C ATOM 1273 C ILE A 85 -7.885 1.003 -3.350 1.00 0.00 C ATOM 1274 O ILE A 85 -9.063 0.659 -3.437 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.139 3.485 -3.314 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.652 4.813 -3.898 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.936 3.457 -1.806 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.208 5.122 -3.573 1.00 0.00 C ATOM 0 H ILE A 85 -8.308 2.953 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.331 2.416 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.205 3.388 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.776 4.792 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.281 5.619 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.463 4.296 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.327 2.522 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.872 3.532 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.931 6.077 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.082 5.176 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.568 4.336 -3.974 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.966 0.283 -2.716 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.297 -0.984 -2.074 1.00 0.00 C ATOM 1292 C TYR A 86 -7.338 -0.831 -0.557 1.00 0.00 C ATOM 1293 O TYR A 86 -6.324 -0.987 0.123 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.278 -2.057 -2.462 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.511 -2.645 -3.835 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.547 -3.543 -4.062 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.695 -2.303 -4.906 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.763 -4.083 -5.315 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.904 -2.837 -6.163 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.940 -3.726 -6.362 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.151 -4.261 -7.612 1.00 0.00 O ATOM 0 H TYR A 86 -5.986 0.555 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.285 -1.289 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.277 -1.626 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.307 -2.858 -1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.195 -3.824 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.883 -1.607 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.572 -4.781 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.260 -2.560 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.485 -3.906 -8.237 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.520 -0.526 -0.032 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.697 -0.351 1.405 1.00 0.00 C ATOM 1313 C PHE A 87 -8.608 -1.690 2.131 1.00 0.00 C ATOM 1314 O PHE A 87 -8.963 -2.731 1.578 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.044 0.313 1.698 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.323 0.481 3.165 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.716 1.496 3.887 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.191 -0.376 3.821 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.970 1.654 5.236 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.450 -0.223 5.170 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.838 0.793 5.879 1.00 0.00 C ATOM 0 H PHE A 87 -9.370 -0.395 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.896 0.293 1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.070 1.291 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.839 -0.284 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.036 2.172 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.671 -1.173 3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.491 2.450 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.130 -0.897 5.670 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.038 0.914 6.933 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.132 -1.654 3.372 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.996 -2.866 4.172 1.00 0.00 C ATOM 1333 C GLU A 88 -8.519 -2.643 5.588 1.00 0.00 C ATOM 1334 O GLU A 88 -8.197 -1.644 6.231 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.532 -3.309 4.221 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.185 -4.375 3.195 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.698 -4.669 3.140 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.093 -4.870 4.214 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.141 -4.700 2.023 1.00 0.00 O ATOM 0 H GLU A 88 -7.835 -0.800 3.844 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.590 -3.650 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.893 -2.441 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.309 -3.690 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.724 -5.292 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.524 -4.051 2.211 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.328 -3.582 6.068 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.894 -3.491 7.408 1.00 0.00 C ATOM 1348 C ALA A 89 -10.460 -4.833 7.858 1.00 0.00 C ATOM 1349 O ALA A 89 -11.580 -5.197 7.502 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.974 -2.419 7.452 1.00 0.00 C ATOM 0 H ALA A 89 -9.606 -4.415 5.548 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.094 -3.215 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.389 -2.361 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.542 -1.456 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.766 -2.672 6.747 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.677 -5.567 8.643 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.117 -6.862 9.128 1.00 0.00 C ATOM 1358 C GLY A 90 -9.985 -7.949 8.079 1.00 0.00 C ATOM 1359 O GLY A 90 -8.876 -8.312 7.687 1.00 0.00 O ATOM 0 H GLY A 90 -8.746 -5.288 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.532 -7.136 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.157 -6.793 9.447 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.119 -8.471 7.625 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.126 -9.524 6.616 1.00 0.00 C ATOM 1365 C ASP A 91 -11.793 -9.041 5.332 1.00 0.00 C ATOM 1366 O ASP A 91 -12.160 -9.843 4.473 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.850 -10.763 7.146 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.593 -11.991 6.295 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.445 -12.483 6.294 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -12.540 -12.462 5.632 1.00 0.00 O ATOM 0 H ASP A 91 -12.045 -8.182 7.940 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.092 -9.785 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.528 -10.959 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.922 -10.567 7.182 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.947 -7.727 5.209 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.572 -7.138 4.030 1.00 0.00 C ATOM 1377 C GLN A 92 -11.551 -6.363 3.203 1.00 0.00 C ATOM 1378 O GLN A 92 -10.378 -6.281 3.566 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.719 -6.214 4.442 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.911 -6.950 5.034 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.701 -7.714 3.990 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.423 -7.123 3.186 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.569 -9.035 3.997 1.00 0.00 N ATOM 0 H GLN A 92 -11.648 -7.050 5.911 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.970 -7.948 3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.349 -5.493 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.048 -5.647 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.562 -7.643 5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.567 -6.233 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.960 -9.483 4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.077 -9.602 3.318 1.00 0.00 H new ATOM 1392 N ARG A 93 -12.006 -5.797 2.090 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.132 -5.030 1.211 1.00 0.00 C ATOM 1394 C ARG A 93 -11.941 -4.295 0.146 1.00 0.00 C ATOM 1395 O ARG A 93 -12.649 -4.915 -0.647 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.109 -5.951 0.544 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.813 -5.251 0.168 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.003 -6.074 -0.822 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.726 -6.506 -0.259 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.596 -7.552 0.548 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.658 -8.271 0.885 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.400 -7.883 1.020 1.00 0.00 N ATOM 0 H ARG A 93 -12.975 -5.855 1.776 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.606 -4.292 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.883 -6.778 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.552 -6.383 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.037 -4.276 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.221 -5.073 1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.580 -6.948 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.822 -5.485 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.889 -5.975 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.579 -8.021 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.554 -9.074 1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.580 -7.333 0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.301 -8.687 1.640 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.831 -2.971 0.136 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.551 -2.152 -0.832 1.00 0.00 C ATOM 1418 C ALA A 94 -11.717 -1.927 -2.089 1.00 0.00 C ATOM 1419 O ALA A 94 -10.522 -2.223 -2.114 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.941 -0.820 -0.209 1.00 0.00 C ATOM 0 H ALA A 94 -11.250 -2.442 0.787 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.457 -2.685 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.478 -0.219 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.582 -0.996 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.043 -0.290 0.108 1.00 0.00 H new ATOM 1426 N SER A 95 -12.354 -1.401 -3.130 1.00 0.00 N ATOM 1427 CA SER A 95 -11.672 -1.141 -4.392 1.00 0.00 C ATOM 1428 C SER A 95 -12.372 -0.031 -5.169 1.00 0.00 C ATOM 1429 O SER A 95 -13.484 -0.212 -5.665 1.00 0.00 O ATOM 1430 CB SER A 95 -11.615 -2.414 -5.238 1.00 0.00 C ATOM 1431 OG SER A 95 -12.871 -3.070 -5.257 1.00 0.00 O ATOM 0 H SER A 95 -13.342 -1.146 -3.124 1.00 0.00 H new ATOM 0 HA SER A 95 -10.656 -0.818 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.316 -2.165 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.856 -3.086 -4.838 1.00 0.00 H new ATOM 0 HG SER A 95 -13.584 -2.409 -5.379 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.713 1.119 -5.272 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.271 2.258 -5.990 1.00 0.00 C ATOM 1439 C ALA A 96 -11.416 2.615 -7.201 1.00 0.00 C ATOM 1440 O ALA A 96 -10.208 2.380 -7.211 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.400 3.456 -5.061 1.00 0.00 C ATOM 0 H ALA A 96 -10.792 1.286 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.263 1.981 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.818 4.299 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.058 3.203 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.416 3.726 -4.676 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.051 3.183 -8.221 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.348 3.574 -9.437 1.00 0.00 C ATOM 1449 C ALA A 97 -10.676 4.932 -9.270 1.00 0.00 C ATOM 1450 O ALA A 97 -11.315 5.975 -9.414 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.309 3.600 -10.616 1.00 0.00 C ATOM 0 H ALA A 97 -13.051 3.383 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.571 2.835 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.771 3.893 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.739 2.608 -10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.106 4.317 -10.420 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.383 4.913 -8.965 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.623 6.144 -8.778 1.00 0.00 C ATOM 1459 C LEU A 98 -8.072 6.652 -10.106 1.00 0.00 C ATOM 1460 O LEU A 98 -7.056 6.160 -10.597 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.476 5.914 -7.792 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.354 6.952 -7.814 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.916 8.350 -7.612 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.313 6.635 -6.750 1.00 0.00 C ATOM 0 H LEU A 98 -8.839 4.059 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.297 6.899 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.891 5.878 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.042 4.935 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.870 6.915 -8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.103 9.075 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.623 8.577 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.426 8.402 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.522 7.384 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.783 6.644 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.887 5.650 -6.940 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.749 7.639 -10.683 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.327 8.214 -11.955 1.00 0.00 C ATOM 1478 C ARG A 99 -7.612 9.545 -11.739 1.00 0.00 C ATOM 1479 O ARG A 99 -7.965 10.314 -10.844 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.534 8.415 -12.873 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.272 7.127 -13.199 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.424 7.373 -14.161 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.294 6.206 -14.282 1.00 0.00 N ATOM 1484 CZ ARG A 99 -12.003 5.147 -15.029 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -10.870 5.108 -15.717 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -12.846 4.124 -15.089 1.00 0.00 N ATOM 0 H ARG A 99 -9.592 8.057 -10.290 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.632 7.520 -12.427 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.227 9.111 -12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.200 8.878 -13.802 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.578 6.410 -13.637 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.653 6.682 -12.280 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.008 8.227 -13.817 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.028 7.633 -15.142 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.173 6.204 -13.765 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.220 5.892 -15.673 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.649 4.294 -16.290 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.718 4.150 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.622 3.311 -15.663 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.605 9.810 -12.564 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.840 11.048 -12.465 1.00 0.00 C ATOM 1502 C VAL A 100 -5.301 11.472 -13.826 1.00 0.00 C ATOM 1503 O VAL A 100 -4.443 10.803 -14.403 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.664 10.903 -11.481 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.827 12.173 -11.458 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.173 10.565 -10.088 1.00 0.00 C ATOM 0 H VAL A 100 -6.299 9.184 -13.309 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.522 11.813 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.029 10.084 -11.819 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.001 12.052 -10.757 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.432 12.366 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.448 13.012 -11.145 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.328 10.466 -9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.831 11.360 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.725 9.626 -10.120 1.00 0.00 H new ATOM 1516 N THR A 101 -5.809 12.590 -14.336 1.00 0.00 N ATOM 1517 CA THR A 101 -5.380 13.104 -15.630 1.00 0.00 C ATOM 1518 C THR A 101 -4.312 14.180 -15.468 1.00 0.00 C ATOM 1519 O THR A 101 -4.247 14.850 -14.438 1.00 0.00 O ATOM 1520 CB THR A 101 -6.564 13.687 -16.424 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.142 14.784 -15.707 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.623 12.624 -16.676 1.00 0.00 C ATOM 0 H THR A 101 -6.519 13.157 -13.872 1.00 0.00 H new ATOM 0 HA THR A 101 -4.962 12.262 -16.181 1.00 0.00 H new ATOM 0 HB THR A 101 -6.190 14.039 -17.385 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.893 15.150 -16.219 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.449 13.059 -17.238 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.187 11.805 -17.248 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.993 12.245 -15.723 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.479 14.339 -16.491 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.414 15.335 -16.460 1.00 0.00 C ATOM 1532 C GLU A 102 -2.963 16.706 -16.077 1.00 0.00 C ATOM 1533 O GLU A 102 -4.056 17.089 -16.493 1.00 0.00 O ATOM 1534 CB GLU A 102 -1.719 15.413 -17.821 1.00 0.00 C ATOM 1535 CG GLU A 102 -2.679 15.373 -18.998 1.00 0.00 C ATOM 1536 CD GLU A 102 -2.152 16.123 -20.206 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -0.957 16.487 -20.203 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -2.934 16.346 -21.154 1.00 0.00 O ATOM 0 H GLU A 102 -3.521 13.792 -17.351 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.688 15.030 -15.706 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.136 16.333 -17.870 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.016 14.585 -17.908 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.868 14.335 -19.273 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.635 15.802 -18.697 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.195 17.443 -15.280 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.602 18.772 -14.840 1.00 0.00 C ATOM 1547 C LYS A 103 -1.723 19.847 -15.472 1.00 0.00 C ATOM 1548 O LYS A 103 -0.615 19.581 -15.939 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.529 18.871 -13.315 1.00 0.00 C ATOM 1550 CG LYS A 103 -1.282 19.575 -12.810 1.00 0.00 C ATOM 1551 CD LYS A 103 -0.025 18.788 -13.140 1.00 0.00 C ATOM 1552 CE LYS A 103 1.145 19.710 -13.447 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.452 19.076 -13.118 1.00 0.00 N ATOM 0 H LYS A 103 -1.287 17.142 -14.926 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.631 18.934 -15.160 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.408 19.402 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.566 17.867 -12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.218 20.568 -13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.353 19.713 -11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.231 18.141 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.214 18.141 -13.996 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.128 19.979 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.037 20.635 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.224 19.736 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.479 18.842 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.567 18.207 -13.677 1.00 0.00 H new