USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 664 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 50 TYR OH : rot 88:sc= -0.0775 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 157:sc= -0.0607 (180deg=-0.376) USER MOD Set 2.1: A 22 ASN : amide:sc= 0.0159 X(o=0.023,f=-0.21!) USER MOD Set 2.2: A 100 SER OG : rot -121:sc= 0.00685 USER MOD Single : A 17 THR OG1 : rot 9:sc= 0.453! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0631 K(o=-0.063,f=-1.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 40 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.65) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.535 X(o=-0.53,f=-0.38) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 67 GLN : amide:sc=-0.00792 X(o=-0.0079,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.249 USER MOD Single : A 76 ASN : amide:sc= -5.17! K(o=-5.2!,f=-2.2) USER MOD Single : A 78 GLN : amide:sc= -2.24 X(o=-2.2,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.108) USER MOD Single : A 82 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.4) USER MOD Single : A 85 HIS : no HE2:sc= -0.0434 X(o=-0.043,f=-0.3) USER MOD Single : A 86 GLN : amide:sc= -0.992 K(o=-0.99,f=-0.079) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 TYR OH : rot 180:sc=-0.00867 USER MOD Single : A 104 GLN : amide:sc= 0.191 K(o=0.19,f=-4.6!) USER MOD Single : A 105 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=0.0037) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -7.392 0.628 2.237 1.00 0.00 N ATOM 197 CA VAL A 16 -6.046 0.088 2.094 1.00 0.00 C ATOM 198 C VAL A 16 -5.960 -1.329 2.651 1.00 0.00 C ATOM 199 O VAL A 16 -6.528 -1.632 3.701 1.00 0.00 O ATOM 200 CB VAL A 16 -5.007 0.972 2.810 1.00 0.00 C ATOM 201 CG1 VAL A 16 -5.001 2.374 2.218 1.00 0.00 C ATOM 202 CG2 VAL A 16 -5.285 1.017 4.305 1.00 0.00 C ATOM 0 HA VAL A 16 -5.824 0.071 1.027 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.019 0.536 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.261 2.984 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.750 2.321 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.988 2.823 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.541 1.646 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.279 1.429 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.234 0.008 4.715 1.00 0.00 H new ATOM 212 N THR A 17 -5.244 -2.196 1.941 1.00 0.00 N ATOM 213 CA THR A 17 -5.084 -3.582 2.363 1.00 0.00 C ATOM 214 C THR A 17 -3.678 -4.088 2.065 1.00 0.00 C ATOM 215 O THR A 17 -3.208 -4.007 0.930 1.00 0.00 O ATOM 216 CB THR A 17 -6.107 -4.502 1.670 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.690 -4.775 0.328 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.488 -3.863 1.657 1.00 0.00 C ATOM 0 H THR A 17 -4.766 -1.962 1.071 1.00 0.00 H new ATOM 0 HA THR A 17 -5.255 -3.607 3.439 1.00 0.00 H new ATOM 0 HB THR A 17 -6.161 -5.435 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.780 -4.437 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.193 -4.531 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.815 -3.683 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.446 -2.917 1.118 1.00 0.00 H new ATOM 226 N GLU A 18 -3.012 -4.611 3.090 1.00 0.00 N ATOM 227 CA GLU A 18 -1.659 -5.131 2.935 1.00 0.00 C ATOM 228 C GLU A 18 -1.682 -6.623 2.617 1.00 0.00 C ATOM 229 O GLU A 18 -2.522 -7.363 3.127 1.00 0.00 O ATOM 230 CB GLU A 18 -0.844 -4.881 4.206 1.00 0.00 C ATOM 231 CG GLU A 18 -0.321 -3.460 4.325 1.00 0.00 C ATOM 232 CD GLU A 18 -1.296 -2.535 5.027 1.00 0.00 C ATOM 233 OE1 GLU A 18 -2.297 -2.138 4.395 1.00 0.00 O ATOM 234 OE2 GLU A 18 -1.058 -2.210 6.209 1.00 0.00 O ATOM 0 H GLU A 18 -3.387 -4.686 4.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.189 -4.608 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.464 -5.105 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.001 -5.572 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.622 -3.469 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.109 -3.070 3.329 1.00 0.00 H new ATOM 241 N GLU A 19 -0.753 -7.057 1.771 1.00 0.00 N ATOM 242 CA GLU A 19 -0.668 -8.460 1.384 1.00 0.00 C ATOM 243 C GLU A 19 0.766 -8.840 1.025 1.00 0.00 C ATOM 244 O GLU A 19 1.520 -8.025 0.494 1.00 0.00 O ATOM 245 CB GLU A 19 -1.593 -8.742 0.199 1.00 0.00 C ATOM 246 CG GLU A 19 -1.395 -10.118 -0.414 1.00 0.00 C ATOM 247 CD GLU A 19 -2.094 -11.212 0.369 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.191 -10.951 0.905 1.00 0.00 O ATOM 249 OE2 GLU A 19 -1.544 -12.331 0.445 1.00 0.00 O ATOM 0 H GLU A 19 -0.049 -6.457 1.341 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.984 -9.064 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.628 -8.645 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.428 -7.985 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.770 -10.113 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.329 -10.338 -0.466 1.00 0.00 H new ATOM 256 N GLU A 20 1.135 -10.082 1.322 1.00 0.00 N ATOM 257 CA GLU A 20 2.478 -10.569 1.032 1.00 0.00 C ATOM 258 C GLU A 20 2.517 -11.294 -0.311 1.00 0.00 C ATOM 259 O GLU A 20 1.940 -12.371 -0.462 1.00 0.00 O ATOM 260 CB GLU A 20 2.956 -11.506 2.143 1.00 0.00 C ATOM 261 CG GLU A 20 4.464 -11.504 2.334 1.00 0.00 C ATOM 262 CD GLU A 20 4.914 -12.451 3.429 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.804 -12.080 4.616 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.377 -13.563 3.099 1.00 0.00 O ATOM 0 H GLU A 20 0.523 -10.769 1.763 1.00 0.00 H new ATOM 0 HA GLU A 20 3.145 -9.708 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.479 -11.218 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.628 -12.521 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.946 -11.783 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.795 -10.494 2.574 1.00 0.00 H new ATOM 271 N ILE A 21 3.199 -10.695 -1.281 1.00 0.00 N ATOM 272 CA ILE A 21 3.313 -11.283 -2.610 1.00 0.00 C ATOM 273 C ILE A 21 4.561 -12.152 -2.721 1.00 0.00 C ATOM 274 O ILE A 21 5.675 -11.643 -2.841 1.00 0.00 O ATOM 275 CB ILE A 21 3.355 -10.199 -3.703 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.092 -9.338 -3.648 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.509 -10.838 -5.076 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.864 -10.031 -4.196 1.00 0.00 C ATOM 0 H ILE A 21 3.681 -9.803 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 21 2.428 -11.902 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 21 4.217 -9.556 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.905 -9.048 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.263 -8.420 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.537 -10.060 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.435 -11.412 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.665 -11.501 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.007 -9.362 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.032 -10.297 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.668 -10.934 -3.618 1.00 0.00 H new ATOM 290 N ASN A 22 4.366 -13.466 -2.683 1.00 0.00 N ATOM 291 CA ASN A 22 5.476 -14.406 -2.782 1.00 0.00 C ATOM 292 C ASN A 22 5.770 -14.751 -4.238 1.00 0.00 C ATOM 293 O ASN A 22 5.011 -15.478 -4.881 1.00 0.00 O ATOM 294 CB ASN A 22 5.162 -15.682 -1.997 1.00 0.00 C ATOM 295 CG ASN A 22 4.737 -15.393 -0.570 1.00 0.00 C ATOM 296 OD1 ASN A 22 3.680 -15.840 -0.124 1.00 0.00 O ATOM 297 ND2 ASN A 22 5.560 -14.642 0.152 1.00 0.00 N ATOM 0 H ASN A 22 3.450 -13.904 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 22 6.360 -13.932 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.370 -16.232 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.042 -16.326 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.327 -14.414 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.426 -14.293 -0.260 1.00 0.00 H new ATOM 304 N LEU A 23 6.876 -14.226 -4.754 1.00 0.00 N ATOM 305 CA LEU A 23 7.271 -14.479 -6.135 1.00 0.00 C ATOM 306 C LEU A 23 8.538 -15.327 -6.193 1.00 0.00 C ATOM 307 O LEU A 23 9.381 -15.265 -5.297 1.00 0.00 O ATOM 308 CB LEU A 23 7.495 -13.157 -6.872 1.00 0.00 C ATOM 309 CG LEU A 23 6.237 -12.360 -7.218 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.607 -11.016 -7.826 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.349 -13.151 -8.168 1.00 0.00 C ATOM 0 H LEU A 23 7.515 -13.622 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 23 6.466 -15.028 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.142 -12.528 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.034 -13.366 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 23 5.681 -12.179 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.699 -10.463 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.202 -10.445 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.186 -11.175 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.458 -12.568 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.897 -13.363 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.055 -14.088 -7.696 1.00 0.00 H new ATOM 323 N THR A 24 8.666 -16.118 -7.253 1.00 0.00 N ATOM 324 CA THR A 24 9.829 -16.978 -7.429 1.00 0.00 C ATOM 325 C THR A 24 10.740 -16.453 -8.532 1.00 0.00 C ATOM 326 O THR A 24 10.295 -16.208 -9.654 1.00 0.00 O ATOM 327 CB THR A 24 9.414 -18.423 -7.766 1.00 0.00 C ATOM 328 OG1 THR A 24 8.278 -18.802 -6.982 1.00 0.00 O ATOM 329 CG2 THR A 24 10.560 -19.389 -7.508 1.00 0.00 C ATOM 0 H THR A 24 7.978 -16.181 -8.003 1.00 0.00 H new ATOM 0 HA THR A 24 10.370 -16.974 -6.483 1.00 0.00 H new ATOM 0 HB THR A 24 9.155 -18.466 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.020 -19.721 -7.203 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.243 -20.403 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.413 -19.115 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.846 -19.342 -6.457 1.00 0.00 H new ATOM 337 N ARG A 25 12.017 -16.281 -8.207 1.00 0.00 N ATOM 338 CA ARG A 25 12.991 -15.783 -9.171 1.00 0.00 C ATOM 339 C ARG A 25 13.146 -16.754 -10.338 1.00 0.00 C ATOM 340 O ARG A 25 13.195 -17.968 -10.147 1.00 0.00 O ATOM 341 CB ARG A 25 14.345 -15.564 -8.494 1.00 0.00 C ATOM 342 CG ARG A 25 15.383 -14.921 -9.401 1.00 0.00 C ATOM 343 CD ARG A 25 16.796 -15.283 -8.973 1.00 0.00 C ATOM 344 NE ARG A 25 17.793 -14.828 -9.938 1.00 0.00 N ATOM 345 CZ ARG A 25 18.231 -13.575 -10.008 1.00 0.00 C ATOM 346 NH1 ARG A 25 17.761 -12.658 -9.173 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.140 -13.238 -10.914 1.00 0.00 N ATOM 0 H ARG A 25 12.401 -16.479 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 25 12.627 -14.831 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.204 -14.936 -7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.726 -16.523 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.219 -15.243 -10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.262 -13.838 -9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.005 -14.839 -7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.873 -16.364 -8.854 1.00 0.00 H new ATOM 0 HE ARG A 25 18.174 -15.509 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.062 -12.914 -8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.098 -11.697 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.503 -13.941 -11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.475 -12.276 -10.967 1.00 0.00 H new ATOM 400 N LEU A 30 13.574 -10.981 -11.628 1.00 0.00 N ATOM 401 CA LEU A 30 12.202 -11.299 -11.250 1.00 0.00 C ATOM 402 C LEU A 30 11.264 -11.174 -12.447 1.00 0.00 C ATOM 403 O LEU A 30 10.793 -12.174 -12.986 1.00 0.00 O ATOM 404 CB LEU A 30 11.735 -10.376 -10.123 1.00 0.00 C ATOM 405 CG LEU A 30 12.060 -10.835 -8.701 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.004 -9.661 -7.736 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.103 -11.934 -8.263 1.00 0.00 C ATOM 0 HA LEU A 30 12.178 -12.331 -10.899 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.181 -9.393 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.655 -10.252 -10.206 1.00 0.00 H new ATOM 0 HG LEU A 30 13.073 -11.238 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.238 -10.006 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.730 -8.906 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.004 -9.228 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.349 -12.248 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.080 -11.557 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.193 -12.785 -8.938 1.00 0.00 H new ATOM 419 N GLY A 31 11.000 -9.937 -12.858 1.00 0.00 N ATOM 420 CA GLY A 31 10.122 -9.704 -13.990 1.00 0.00 C ATOM 421 C GLY A 31 9.329 -8.419 -13.853 1.00 0.00 C ATOM 422 O GLY A 31 8.176 -8.345 -14.279 1.00 0.00 O ATOM 0 H GLY A 31 11.378 -9.093 -12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.715 -9.666 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.434 -10.543 -14.091 1.00 0.00 H new ATOM 426 N PHE A 32 9.946 -7.405 -13.256 1.00 0.00 N ATOM 427 CA PHE A 32 9.289 -6.118 -13.061 1.00 0.00 C ATOM 428 C PHE A 32 10.280 -5.072 -12.559 1.00 0.00 C ATOM 429 O PHE A 32 11.209 -5.388 -11.817 1.00 0.00 O ATOM 430 CB PHE A 32 8.131 -6.257 -12.071 1.00 0.00 C ATOM 431 CG PHE A 32 8.567 -6.666 -10.693 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.716 -8.004 -10.367 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.827 -5.711 -9.723 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.117 -8.384 -9.100 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.229 -6.085 -8.454 1.00 0.00 C ATOM 436 CZ PHE A 32 9.373 -7.423 -8.142 1.00 0.00 C ATOM 0 H PHE A 32 10.900 -7.450 -12.899 1.00 0.00 H new ATOM 0 HA PHE A 32 8.897 -5.789 -14.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.601 -5.307 -12.009 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.423 -6.993 -12.453 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.516 -8.760 -11.112 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.714 -4.664 -9.961 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.230 -9.431 -8.860 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.430 -5.331 -7.707 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.685 -7.717 -7.151 1.00 0.00 H new ATOM 446 N ASN A 33 10.075 -3.825 -12.971 1.00 0.00 N ATOM 447 CA ASN A 33 10.950 -2.732 -12.565 1.00 0.00 C ATOM 448 C ASN A 33 10.410 -2.038 -11.318 1.00 0.00 C ATOM 449 O ASN A 33 9.216 -1.756 -11.221 1.00 0.00 O ATOM 450 CB ASN A 33 11.098 -1.720 -13.703 1.00 0.00 C ATOM 451 CG ASN A 33 12.077 -2.182 -14.764 1.00 0.00 C ATOM 452 OD1 ASN A 33 12.999 -2.948 -14.483 1.00 0.00 O ATOM 453 ND2 ASN A 33 11.881 -1.718 -15.993 1.00 0.00 N ATOM 0 H ASN A 33 9.310 -3.547 -13.586 1.00 0.00 H new ATOM 0 HA ASN A 33 11.929 -3.150 -12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.124 -1.548 -14.161 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.432 -0.766 -13.296 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.508 -1.995 -16.749 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.104 -1.085 -16.181 1.00 0.00 H new ATOM 460 N ILE A 34 11.299 -1.764 -10.369 1.00 0.00 N ATOM 461 CA ILE A 34 10.912 -1.101 -9.130 1.00 0.00 C ATOM 462 C ILE A 34 11.511 0.299 -9.044 1.00 0.00 C ATOM 463 O ILE A 34 12.602 0.551 -9.558 1.00 0.00 O ATOM 464 CB ILE A 34 11.352 -1.912 -7.896 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.851 -2.210 -7.963 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.553 -3.203 -7.799 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.452 -2.588 -6.628 1.00 0.00 C ATOM 0 H ILE A 34 12.291 -1.991 -10.434 1.00 0.00 H new ATOM 0 HA ILE A 34 9.824 -1.028 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 34 11.158 -1.320 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.021 -3.021 -8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.370 -1.334 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.875 -3.765 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.492 -2.969 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.719 -3.802 -8.695 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.517 -2.785 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.314 -1.769 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.959 -3.482 -6.247 1.00 0.00 H new ATOM 479 N VAL A 35 10.792 1.206 -8.391 1.00 0.00 N ATOM 480 CA VAL A 35 11.254 2.580 -8.235 1.00 0.00 C ATOM 481 C VAL A 35 11.409 2.944 -6.763 1.00 0.00 C ATOM 482 O VAL A 35 10.448 2.891 -5.996 1.00 0.00 O ATOM 483 CB VAL A 35 10.286 3.576 -8.901 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.277 3.385 -10.410 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.886 3.422 -8.327 1.00 0.00 C ATOM 0 H VAL A 35 9.887 1.014 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 35 12.225 2.646 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 35 10.631 4.588 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.587 4.097 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.280 3.550 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.957 2.370 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.215 4.133 -8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.529 2.408 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.909 3.614 -7.254 1.00 0.00 H new ATOM 495 N GLY A 36 12.625 3.315 -6.375 1.00 0.00 N ATOM 496 CA GLY A 36 12.883 3.684 -4.995 1.00 0.00 C ATOM 497 C GLY A 36 14.264 4.279 -4.803 1.00 0.00 C ATOM 498 O GLY A 36 15.043 4.378 -5.750 1.00 0.00 O ATOM 0 H GLY A 36 13.436 3.367 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.132 4.403 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.779 2.804 -4.361 1.00 0.00 H new ATOM 502 N GLY A 37 14.569 4.678 -3.571 1.00 0.00 N ATOM 503 CA GLY A 37 15.865 5.263 -3.280 1.00 0.00 C ATOM 504 C GLY A 37 15.774 6.741 -2.958 1.00 0.00 C ATOM 505 O GLY A 37 15.365 7.544 -3.798 1.00 0.00 O ATOM 0 H GLY A 37 13.942 4.606 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.317 4.738 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.525 5.121 -4.136 1.00 0.00 H new ATOM 509 N THR A 38 16.155 7.104 -1.737 1.00 0.00 N ATOM 510 CA THR A 38 16.113 8.495 -1.305 1.00 0.00 C ATOM 511 C THR A 38 16.647 9.424 -2.389 1.00 0.00 C ATOM 512 O THR A 38 16.307 10.607 -2.429 1.00 0.00 O ATOM 513 CB THR A 38 16.927 8.707 -0.015 1.00 0.00 C ATOM 514 OG1 THR A 38 18.255 8.199 -0.185 1.00 0.00 O ATOM 515 CG2 THR A 38 16.261 8.016 1.166 1.00 0.00 C ATOM 0 H THR A 38 16.496 6.453 -1.030 1.00 0.00 H new ATOM 0 HA THR A 38 15.068 8.734 -1.109 1.00 0.00 H new ATOM 0 HB THR A 38 16.971 9.777 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.767 8.339 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.854 8.180 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.261 8.426 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.189 6.946 0.969 1.00 0.00 H new ATOM 523 N ASP A 39 17.484 8.882 -3.266 1.00 0.00 N ATOM 524 CA ASP A 39 18.065 9.663 -4.352 1.00 0.00 C ATOM 525 C ASP A 39 17.217 9.550 -5.616 1.00 0.00 C ATOM 526 O ASP A 39 17.082 10.513 -6.370 1.00 0.00 O ATOM 527 CB ASP A 39 19.493 9.195 -4.638 1.00 0.00 C ATOM 528 CG ASP A 39 20.345 10.285 -5.259 1.00 0.00 C ATOM 529 OD1 ASP A 39 20.022 10.723 -6.383 1.00 0.00 O ATOM 530 OD2 ASP A 39 21.334 10.700 -4.620 1.00 0.00 O ATOM 0 H ASP A 39 17.776 7.905 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 39 18.088 10.708 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.956 8.861 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.463 8.335 -5.307 1.00 0.00 H new ATOM 535 N GLN A 40 16.650 8.369 -5.838 1.00 0.00 N ATOM 536 CA GLN A 40 15.817 8.131 -7.011 1.00 0.00 C ATOM 537 C GLN A 40 14.339 8.130 -6.638 1.00 0.00 C ATOM 538 O GLN A 40 13.503 7.612 -7.378 1.00 0.00 O ATOM 539 CB GLN A 40 16.191 6.800 -7.666 1.00 0.00 C ATOM 540 CG GLN A 40 17.681 6.645 -7.923 1.00 0.00 C ATOM 541 CD GLN A 40 18.169 7.512 -9.068 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.428 8.344 -9.591 1.00 0.00 O ATOM 543 NE2 GLN A 40 19.422 7.321 -9.462 1.00 0.00 N ATOM 0 H GLN A 40 16.752 7.563 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 40 15.993 8.939 -7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.854 5.983 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.656 6.707 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.231 6.902 -7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.901 5.601 -8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 40 20.001 6.620 -9.000 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.806 7.875 -10.227 1.00 0.00 H new ATOM 552 N GLN A 41 14.024 8.714 -5.486 1.00 0.00 N ATOM 553 CA GLN A 41 12.646 8.779 -5.015 1.00 0.00 C ATOM 554 C GLN A 41 11.682 8.993 -6.178 1.00 0.00 C ATOM 555 O GLN A 41 11.763 9.997 -6.887 1.00 0.00 O ATOM 556 CB GLN A 41 12.487 9.905 -3.991 1.00 0.00 C ATOM 557 CG GLN A 41 13.143 9.607 -2.653 1.00 0.00 C ATOM 558 CD GLN A 41 12.697 10.559 -1.560 1.00 0.00 C ATOM 559 OE1 GLN A 41 13.521 11.137 -0.851 1.00 0.00 O ATOM 560 NE2 GLN A 41 11.388 10.727 -1.419 1.00 0.00 N ATOM 0 H GLN A 41 14.704 9.149 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 41 12.406 7.828 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.915 10.820 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.425 10.093 -3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.908 8.585 -2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.226 9.667 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.741 10.227 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.029 11.356 -0.701 1.00 0.00 H new ATOM 569 N TYR A 42 10.772 8.045 -6.368 1.00 0.00 N ATOM 570 CA TYR A 42 9.795 8.128 -7.447 1.00 0.00 C ATOM 571 C TYR A 42 9.055 9.462 -7.409 1.00 0.00 C ATOM 572 O TYR A 42 8.729 10.034 -8.449 1.00 0.00 O ATOM 573 CB TYR A 42 8.796 6.975 -7.348 1.00 0.00 C ATOM 574 CG TYR A 42 7.993 6.759 -8.612 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.592 6.264 -9.763 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.635 7.050 -8.653 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.863 6.067 -10.920 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.897 6.855 -9.804 1.00 0.00 C ATOM 579 CZ TYR A 42 6.516 6.363 -10.935 1.00 0.00 C ATOM 580 OH TYR A 42 5.785 6.167 -12.085 1.00 0.00 O ATOM 0 H TYR A 42 10.690 7.210 -5.789 1.00 0.00 H new ATOM 0 HA TYR A 42 10.330 8.056 -8.394 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.335 6.058 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.112 7.168 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.646 6.029 -9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.148 7.435 -7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.345 5.684 -11.807 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.842 7.086 -9.819 1.00 0.00 H new ATOM 0 HH TYR A 42 4.852 6.423 -11.927 1.00 0.00 H new ATOM 590 N VAL A 43 8.792 9.951 -6.201 1.00 0.00 N ATOM 591 CA VAL A 43 8.092 11.218 -6.025 1.00 0.00 C ATOM 592 C VAL A 43 8.659 12.001 -4.846 1.00 0.00 C ATOM 593 O VAL A 43 9.238 11.424 -3.926 1.00 0.00 O ATOM 594 CB VAL A 43 6.583 11.000 -5.805 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.819 12.297 -6.020 1.00 0.00 C ATOM 596 CG2 VAL A 43 6.063 9.905 -6.725 1.00 0.00 C ATOM 0 H VAL A 43 9.053 9.489 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 43 8.239 11.790 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 43 6.426 10.681 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.755 12.123 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.174 13.049 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.980 12.650 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.995 9.764 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.231 10.192 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.589 8.974 -6.516 1.00 0.00 H new ATOM 606 N SER A 44 8.488 13.318 -4.881 1.00 0.00 N ATOM 607 CA SER A 44 8.986 14.182 -3.816 1.00 0.00 C ATOM 608 C SER A 44 8.526 13.680 -2.450 1.00 0.00 C ATOM 609 O SER A 44 9.263 13.758 -1.468 1.00 0.00 O ATOM 610 CB SER A 44 8.509 15.619 -4.031 1.00 0.00 C ATOM 611 OG SER A 44 9.306 16.282 -4.997 1.00 0.00 O ATOM 0 H SER A 44 8.009 13.811 -5.635 1.00 0.00 H new ATOM 0 HA SER A 44 10.075 14.161 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.468 15.615 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.548 16.163 -3.087 1.00 0.00 H new ATOM 0 HG SER A 44 8.980 17.198 -5.117 1.00 0.00 H new ATOM 617 N ASN A 45 7.302 13.165 -2.397 1.00 0.00 N ATOM 618 CA ASN A 45 6.743 12.651 -1.153 1.00 0.00 C ATOM 619 C ASN A 45 6.759 11.125 -1.138 1.00 0.00 C ATOM 620 O ASN A 45 6.274 10.498 -0.197 1.00 0.00 O ATOM 621 CB ASN A 45 5.312 13.158 -0.964 1.00 0.00 C ATOM 622 CG ASN A 45 4.728 12.758 0.377 1.00 0.00 C ATOM 623 OD1 ASN A 45 5.026 13.370 1.403 1.00 0.00 O ATOM 624 ND2 ASN A 45 3.892 11.727 0.374 1.00 0.00 N ATOM 0 H ASN A 45 6.679 13.093 -3.201 1.00 0.00 H new ATOM 0 HA ASN A 45 7.361 13.012 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.300 14.244 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.682 12.766 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.468 11.412 1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.674 11.250 -0.501 1.00 0.00 H new ATOM 631 N ASP A 46 7.322 10.535 -2.187 1.00 0.00 N ATOM 632 CA ASP A 46 7.403 9.083 -2.295 1.00 0.00 C ATOM 633 C ASP A 46 8.856 8.619 -2.290 1.00 0.00 C ATOM 634 O ASP A 46 9.640 8.989 -3.164 1.00 0.00 O ATOM 635 CB ASP A 46 6.707 8.605 -3.570 1.00 0.00 C ATOM 636 CG ASP A 46 6.542 7.098 -3.609 1.00 0.00 C ATOM 637 OD1 ASP A 46 7.553 6.386 -3.431 1.00 0.00 O ATOM 638 OD2 ASP A 46 5.403 6.632 -3.818 1.00 0.00 O ATOM 0 H ASP A 46 7.729 11.040 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 46 6.898 8.650 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.727 9.077 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.283 8.927 -4.438 1.00 0.00 H new ATOM 643 N SER A 47 9.210 7.808 -1.298 1.00 0.00 N ATOM 644 CA SER A 47 10.570 7.297 -1.176 1.00 0.00 C ATOM 645 C SER A 47 10.579 5.771 -1.177 1.00 0.00 C ATOM 646 O SER A 47 11.521 5.145 -1.662 1.00 0.00 O ATOM 647 CB SER A 47 11.221 7.821 0.105 1.00 0.00 C ATOM 648 OG SER A 47 10.483 7.430 1.250 1.00 0.00 O ATOM 0 H SER A 47 8.573 7.491 -0.567 1.00 0.00 H new ATOM 0 HA SER A 47 11.142 7.647 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.241 7.443 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.286 8.908 0.065 1.00 0.00 H new ATOM 0 HG SER A 47 10.921 7.776 2.055 1.00 0.00 H new ATOM 654 N GLY A 48 9.522 5.178 -0.630 1.00 0.00 N ATOM 655 CA GLY A 48 9.428 3.731 -0.577 1.00 0.00 C ATOM 656 C GLY A 48 9.623 3.088 -1.936 1.00 0.00 C ATOM 657 O GLY A 48 9.812 3.780 -2.936 1.00 0.00 O ATOM 0 H GLY A 48 8.729 5.674 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.177 3.346 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.453 3.447 -0.181 1.00 0.00 H new ATOM 661 N ILE A 49 9.579 1.760 -1.971 1.00 0.00 N ATOM 662 CA ILE A 49 9.753 1.024 -3.217 1.00 0.00 C ATOM 663 C ILE A 49 8.407 0.685 -3.848 1.00 0.00 C ATOM 664 O ILE A 49 7.524 0.130 -3.193 1.00 0.00 O ATOM 665 CB ILE A 49 10.546 -0.278 -2.996 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.787 -0.006 -2.143 1.00 0.00 C ATOM 667 CG2 ILE A 49 10.938 -0.893 -4.331 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.615 1.159 -2.636 1.00 0.00 C ATOM 0 H ILE A 49 9.425 1.173 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 49 10.314 1.672 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 49 9.911 -0.987 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.477 0.188 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.409 -0.901 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.498 -1.812 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.040 -1.118 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.558 -0.190 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.478 1.294 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.955 0.959 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.009 2.065 -2.628 1.00 0.00 H new ATOM 680 N TYR A 50 8.257 1.021 -5.125 1.00 0.00 N ATOM 681 CA TYR A 50 7.018 0.753 -5.845 1.00 0.00 C ATOM 682 C TYR A 50 7.296 0.014 -7.151 1.00 0.00 C ATOM 683 O TYR A 50 8.448 -0.247 -7.497 1.00 0.00 O ATOM 684 CB TYR A 50 6.278 2.061 -6.134 1.00 0.00 C ATOM 685 CG TYR A 50 5.929 2.846 -4.890 1.00 0.00 C ATOM 686 CD1 TYR A 50 6.923 3.355 -4.063 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.604 3.079 -4.541 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.608 4.072 -2.926 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.280 3.796 -3.406 1.00 0.00 C ATOM 690 CZ TYR A 50 5.285 4.291 -2.601 1.00 0.00 C ATOM 691 OH TYR A 50 4.967 5.006 -1.469 1.00 0.00 O ATOM 0 H TYR A 50 8.978 1.479 -5.682 1.00 0.00 H new ATOM 0 HA TYR A 50 6.392 0.120 -5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.895 2.682 -6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.362 1.837 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.960 3.187 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.814 2.693 -5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.393 4.460 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.245 3.968 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 50 4.933 5.961 -1.684 1.00 0.00 H new ATOM 701 N VAL A 51 6.231 -0.320 -7.872 1.00 0.00 N ATOM 702 CA VAL A 51 6.358 -1.027 -9.141 1.00 0.00 C ATOM 703 C VAL A 51 5.903 -0.154 -10.305 1.00 0.00 C ATOM 704 O VAL A 51 4.721 0.168 -10.428 1.00 0.00 O ATOM 705 CB VAL A 51 5.538 -2.331 -9.141 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.778 -3.112 -10.424 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.879 -3.174 -7.922 1.00 0.00 C ATOM 0 H VAL A 51 5.270 -0.112 -7.599 1.00 0.00 H new ATOM 0 HA VAL A 51 7.414 -1.270 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 51 4.480 -2.075 -9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.191 -4.030 -10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.479 -2.507 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.836 -3.360 -10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.291 -4.091 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.940 -3.423 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.651 -2.613 -7.016 1.00 0.00 H new ATOM 717 N SER A 52 6.849 0.227 -11.157 1.00 0.00 N ATOM 718 CA SER A 52 6.546 1.066 -12.311 1.00 0.00 C ATOM 719 C SER A 52 6.007 0.228 -13.466 1.00 0.00 C ATOM 720 O SER A 52 4.980 0.557 -14.059 1.00 0.00 O ATOM 721 CB SER A 52 7.797 1.826 -12.757 1.00 0.00 C ATOM 722 OG SER A 52 7.772 2.073 -14.152 1.00 0.00 O ATOM 0 H SER A 52 7.832 -0.032 -11.070 1.00 0.00 H new ATOM 0 HA SER A 52 5.779 1.783 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.864 2.771 -12.218 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.687 1.250 -12.502 1.00 0.00 H new ATOM 0 HG SER A 52 8.581 2.561 -14.412 1.00 0.00 H new ATOM 728 N ARG A 53 6.708 -0.857 -13.779 1.00 0.00 N ATOM 729 CA ARG A 53 6.301 -1.743 -14.864 1.00 0.00 C ATOM 730 C ARG A 53 6.597 -3.199 -14.517 1.00 0.00 C ATOM 731 O ARG A 53 7.531 -3.491 -13.769 1.00 0.00 O ATOM 732 CB ARG A 53 7.019 -1.360 -16.159 1.00 0.00 C ATOM 733 CG ARG A 53 6.291 -1.811 -17.415 1.00 0.00 C ATOM 734 CD ARG A 53 5.111 -0.904 -17.731 1.00 0.00 C ATOM 735 NE ARG A 53 4.448 -1.283 -18.976 1.00 0.00 N ATOM 736 CZ ARG A 53 3.469 -0.578 -19.531 1.00 0.00 C ATOM 737 NH1 ARG A 53 3.042 0.538 -18.955 1.00 0.00 N ATOM 738 NH2 ARG A 53 2.915 -0.987 -20.665 1.00 0.00 N ATOM 0 H ARG A 53 7.560 -1.144 -13.297 1.00 0.00 H new ATOM 0 HA ARG A 53 5.226 -1.633 -15.006 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.142 -0.277 -16.190 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.019 -1.795 -16.153 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.984 -1.815 -18.257 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.940 -2.835 -17.286 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.393 -0.944 -16.911 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.456 0.128 -17.803 1.00 0.00 H new ATOM 0 HE ARG A 53 4.754 -2.136 -19.445 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.466 0.857 -18.084 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.290 1.078 -19.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.241 -1.844 -21.112 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.163 -0.444 -21.090 1.00 0.00 H new ATOM 752 N ILE A 54 5.796 -4.107 -15.064 1.00 0.00 N ATOM 753 CA ILE A 54 5.973 -5.531 -14.813 1.00 0.00 C ATOM 754 C ILE A 54 6.046 -6.315 -16.119 1.00 0.00 C ATOM 755 O ILE A 54 5.074 -6.381 -16.871 1.00 0.00 O ATOM 756 CB ILE A 54 4.829 -6.097 -13.951 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.709 -5.311 -12.644 1.00 0.00 C ATOM 758 CG2 ILE A 54 5.060 -7.574 -13.667 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.506 -5.699 -11.813 1.00 0.00 C ATOM 0 H ILE A 54 5.018 -3.881 -15.684 1.00 0.00 H new ATOM 0 HA ILE A 54 6.913 -5.641 -14.273 1.00 0.00 H new ATOM 0 HB ILE A 54 3.894 -5.995 -14.502 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.613 -5.464 -12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.654 -4.247 -12.873 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.243 -7.959 -13.057 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.101 -8.123 -14.608 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.002 -7.699 -13.133 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.485 -5.101 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.596 -5.520 -12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.569 -6.756 -11.553 1.00 0.00 H new ATOM 771 N LYS A 55 7.205 -6.910 -16.382 1.00 0.00 N ATOM 772 CA LYS A 55 7.406 -7.693 -17.595 1.00 0.00 C ATOM 773 C LYS A 55 6.321 -8.755 -17.743 1.00 0.00 C ATOM 774 O LYS A 55 6.156 -9.610 -16.874 1.00 0.00 O ATOM 775 CB LYS A 55 8.785 -8.355 -17.577 1.00 0.00 C ATOM 776 CG LYS A 55 9.900 -7.452 -18.074 1.00 0.00 C ATOM 777 CD LYS A 55 11.193 -8.224 -18.279 1.00 0.00 C ATOM 778 CE LYS A 55 12.141 -7.485 -19.211 1.00 0.00 C ATOM 779 NZ LYS A 55 11.737 -7.624 -20.638 1.00 0.00 N ATOM 0 H LYS A 55 8.020 -6.864 -15.770 1.00 0.00 H new ATOM 0 HA LYS A 55 7.346 -7.017 -18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.013 -8.673 -16.560 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.755 -9.254 -18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.601 -6.986 -19.013 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.065 -6.648 -17.357 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.679 -8.385 -17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.969 -9.208 -18.691 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.165 -6.429 -18.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.152 -7.870 -19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.445 -7.164 -21.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.673 -8.632 -20.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.811 -7.173 -20.782 1.00 0.00 H new ATOM 793 N GLU A 56 5.587 -8.695 -18.849 1.00 0.00 N ATOM 794 CA GLU A 56 4.519 -9.654 -19.110 1.00 0.00 C ATOM 795 C GLU A 56 5.036 -11.086 -19.006 1.00 0.00 C ATOM 796 O GLU A 56 4.369 -11.959 -18.454 1.00 0.00 O ATOM 797 CB GLU A 56 3.917 -9.416 -20.496 1.00 0.00 C ATOM 798 CG GLU A 56 4.937 -9.473 -21.621 1.00 0.00 C ATOM 799 CD GLU A 56 4.495 -8.703 -22.849 1.00 0.00 C ATOM 800 OE1 GLU A 56 3.282 -8.706 -23.147 1.00 0.00 O ATOM 801 OE2 GLU A 56 5.362 -8.097 -23.513 1.00 0.00 O ATOM 0 H GLU A 56 5.712 -7.993 -19.579 1.00 0.00 H new ATOM 0 HA GLU A 56 3.745 -9.511 -18.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.144 -10.162 -20.680 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.429 -8.441 -20.508 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.886 -9.071 -21.267 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.114 -10.513 -21.893 1.00 0.00 H new ATOM 808 N ASN A 57 6.230 -11.318 -19.542 1.00 0.00 N ATOM 809 CA ASN A 57 6.837 -12.643 -19.511 1.00 0.00 C ATOM 810 C ASN A 57 7.777 -12.784 -18.318 1.00 0.00 C ATOM 811 O ASN A 57 8.827 -13.417 -18.412 1.00 0.00 O ATOM 812 CB ASN A 57 7.602 -12.907 -20.810 1.00 0.00 C ATOM 813 CG ASN A 57 6.686 -12.969 -22.018 1.00 0.00 C ATOM 814 OD1 ASN A 57 5.710 -13.719 -22.033 1.00 0.00 O ATOM 815 ND2 ASN A 57 6.998 -12.178 -23.038 1.00 0.00 N ATOM 0 H ASN A 57 6.796 -10.605 -20.003 1.00 0.00 H new ATOM 0 HA ASN A 57 6.038 -13.378 -19.411 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.342 -12.121 -20.959 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.148 -13.846 -20.723 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.419 -12.176 -23.878 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.817 -11.572 -22.982 1.00 0.00 H new ATOM 822 N GLY A 58 7.390 -12.188 -17.194 1.00 0.00 N ATOM 823 CA GLY A 58 8.209 -12.259 -15.997 1.00 0.00 C ATOM 824 C GLY A 58 7.543 -13.044 -14.885 1.00 0.00 C ATOM 825 O GLY A 58 6.343 -13.313 -14.938 1.00 0.00 O ATOM 0 H GLY A 58 6.525 -11.658 -17.091 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.165 -12.721 -16.242 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.423 -11.249 -15.647 1.00 0.00 H new ATOM 829 N ALA A 59 8.323 -13.413 -13.874 1.00 0.00 N ATOM 830 CA ALA A 59 7.801 -14.172 -12.744 1.00 0.00 C ATOM 831 C ALA A 59 6.584 -13.484 -12.136 1.00 0.00 C ATOM 832 O ALA A 59 5.561 -14.119 -11.885 1.00 0.00 O ATOM 833 CB ALA A 59 8.884 -14.362 -11.692 1.00 0.00 C ATOM 0 H ALA A 59 9.318 -13.199 -13.814 1.00 0.00 H new ATOM 0 HA ALA A 59 7.487 -15.150 -13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.481 -14.930 -10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.723 -14.904 -12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.224 -13.388 -11.340 1.00 0.00 H new ATOM 839 N ALA A 60 6.703 -12.181 -11.901 1.00 0.00 N ATOM 840 CA ALA A 60 5.612 -11.407 -11.323 1.00 0.00 C ATOM 841 C ALA A 60 4.377 -11.446 -12.218 1.00 0.00 C ATOM 842 O ALA A 60 3.270 -11.715 -11.752 1.00 0.00 O ATOM 843 CB ALA A 60 6.051 -9.969 -11.089 1.00 0.00 C ATOM 0 H ALA A 60 7.544 -11.640 -12.102 1.00 0.00 H new ATOM 0 HA ALA A 60 5.349 -11.855 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.226 -9.402 -10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.899 -9.954 -10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.343 -9.519 -12.038 1.00 0.00 H new ATOM 849 N ALA A 61 4.575 -11.174 -13.503 1.00 0.00 N ATOM 850 CA ALA A 61 3.478 -11.179 -14.463 1.00 0.00 C ATOM 851 C ALA A 61 2.757 -12.523 -14.465 1.00 0.00 C ATOM 852 O ALA A 61 1.539 -12.587 -14.295 1.00 0.00 O ATOM 853 CB ALA A 61 3.994 -10.852 -15.856 1.00 0.00 C ATOM 0 H ALA A 61 5.485 -10.947 -13.904 1.00 0.00 H new ATOM 0 HA ALA A 61 2.763 -10.413 -14.164 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.164 -10.859 -16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.457 -9.865 -15.850 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.731 -11.597 -16.155 1.00 0.00 H new ATOM 859 N LEU A 62 3.517 -13.596 -14.660 1.00 0.00 N ATOM 860 CA LEU A 62 2.951 -14.940 -14.686 1.00 0.00 C ATOM 861 C LEU A 62 2.112 -15.201 -13.439 1.00 0.00 C ATOM 862 O LEU A 62 0.939 -15.563 -13.532 1.00 0.00 O ATOM 863 CB LEU A 62 4.065 -15.982 -14.792 1.00 0.00 C ATOM 864 CG LEU A 62 4.863 -15.981 -16.097 1.00 0.00 C ATOM 865 CD1 LEU A 62 6.125 -16.817 -15.951 1.00 0.00 C ATOM 866 CD2 LEU A 62 4.009 -16.497 -17.245 1.00 0.00 C ATOM 0 H LEU A 62 4.526 -13.561 -14.802 1.00 0.00 H new ATOM 0 HA LEU A 62 2.304 -15.019 -15.560 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.759 -15.829 -13.965 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.625 -16.970 -14.659 1.00 0.00 H new ATOM 0 HG LEU A 62 5.155 -14.955 -16.321 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.680 -16.805 -16.889 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.746 -16.403 -15.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.855 -17.843 -15.703 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.593 -16.489 -18.165 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.686 -17.515 -17.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.135 -15.857 -17.365 1.00 0.00 H new ATOM 878 N ASP A 63 2.720 -15.013 -12.273 1.00 0.00 N ATOM 879 CA ASP A 63 2.028 -15.225 -11.007 1.00 0.00 C ATOM 880 C ASP A 63 0.737 -14.414 -10.951 1.00 0.00 C ATOM 881 O ASP A 63 -0.301 -14.911 -10.514 1.00 0.00 O ATOM 882 CB ASP A 63 2.935 -14.844 -9.836 1.00 0.00 C ATOM 883 CG ASP A 63 2.519 -15.512 -8.540 1.00 0.00 C ATOM 884 OD1 ASP A 63 1.300 -15.675 -8.322 1.00 0.00 O ATOM 885 OD2 ASP A 63 3.412 -15.870 -7.743 1.00 0.00 O ATOM 0 H ASP A 63 3.691 -14.714 -12.178 1.00 0.00 H new ATOM 0 HA ASP A 63 1.775 -16.283 -10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.963 -15.122 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.919 -13.762 -9.705 1.00 0.00 H new ATOM 890 N GLY A 64 0.809 -13.163 -11.395 1.00 0.00 N ATOM 891 CA GLY A 64 -0.360 -12.304 -11.385 1.00 0.00 C ATOM 892 C GLY A 64 -0.578 -11.636 -10.042 1.00 0.00 C ATOM 893 O GLY A 64 -1.002 -10.482 -9.977 1.00 0.00 O ATOM 0 H GLY A 64 1.656 -12.729 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.252 -11.539 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.241 -12.892 -11.642 1.00 0.00 H new ATOM 897 N ARG A 65 -0.289 -12.363 -8.968 1.00 0.00 N ATOM 898 CA ARG A 65 -0.458 -11.835 -7.620 1.00 0.00 C ATOM 899 C ARG A 65 -0.026 -10.373 -7.550 1.00 0.00 C ATOM 900 O ARG A 65 -0.723 -9.535 -6.976 1.00 0.00 O ATOM 901 CB ARG A 65 0.348 -12.664 -6.619 1.00 0.00 C ATOM 902 CG ARG A 65 -0.334 -12.823 -5.270 1.00 0.00 C ATOM 903 CD ARG A 65 0.601 -13.441 -4.242 1.00 0.00 C ATOM 904 NE ARG A 65 0.862 -14.851 -4.518 1.00 0.00 N ATOM 905 CZ ARG A 65 1.421 -15.679 -3.643 1.00 0.00 C ATOM 906 NH1 ARG A 65 1.774 -15.242 -2.442 1.00 0.00 N ATOM 907 NH2 ARG A 65 1.627 -16.949 -3.968 1.00 0.00 N ATOM 0 H ARG A 65 0.063 -13.319 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.516 -11.896 -7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.531 -13.652 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.321 -12.195 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.673 -11.850 -4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.220 -13.449 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.543 -12.893 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.164 -13.341 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 65 0.601 -15.220 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.616 -14.267 -2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.203 -15.881 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.356 -17.290 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.056 -17.584 -3.295 1.00 0.00 H new ATOM 921 N LEU A 66 1.128 -10.074 -8.137 1.00 0.00 N ATOM 922 CA LEU A 66 1.654 -8.714 -8.142 1.00 0.00 C ATOM 923 C LEU A 66 1.009 -7.884 -9.247 1.00 0.00 C ATOM 924 O LEU A 66 0.582 -8.420 -10.269 1.00 0.00 O ATOM 925 CB LEU A 66 3.173 -8.734 -8.324 1.00 0.00 C ATOM 926 CG LEU A 66 3.909 -7.441 -7.970 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.894 -7.213 -6.467 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.338 -7.481 -8.492 1.00 0.00 C ATOM 0 H LEU A 66 1.717 -10.756 -8.616 1.00 0.00 H new ATOM 0 HA LEU A 66 1.415 -8.255 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.581 -9.540 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.391 -8.980 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 66 3.392 -6.608 -8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.422 -6.289 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.863 -7.139 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.386 -8.048 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.847 -6.553 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.866 -8.323 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.326 -7.596 -9.576 1.00 0.00 H new ATOM 940 N GLN A 67 0.944 -6.574 -9.035 1.00 0.00 N ATOM 941 CA GLN A 67 0.352 -5.670 -10.014 1.00 0.00 C ATOM 942 C GLN A 67 1.038 -4.308 -9.983 1.00 0.00 C ATOM 943 O GLN A 67 1.456 -3.838 -8.926 1.00 0.00 O ATOM 944 CB GLN A 67 -1.146 -5.506 -9.749 1.00 0.00 C ATOM 945 CG GLN A 67 -1.458 -4.827 -8.425 1.00 0.00 C ATOM 946 CD GLN A 67 -2.938 -4.558 -8.242 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.573 -5.105 -7.339 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.498 -3.712 -9.099 1.00 0.00 N ATOM 0 H GLN A 67 1.294 -6.115 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 67 0.493 -6.105 -11.003 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.589 -4.926 -10.559 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.619 -6.488 -9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.103 -5.454 -7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.911 -3.886 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.935 -3.281 -9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.491 -3.493 -9.024 1.00 0.00 H new ATOM 957 N GLU A 68 1.151 -3.681 -11.150 1.00 0.00 N ATOM 958 CA GLU A 68 1.789 -2.374 -11.255 1.00 0.00 C ATOM 959 C GLU A 68 1.094 -1.356 -10.355 1.00 0.00 C ATOM 960 O GLU A 68 -0.133 -1.285 -10.312 1.00 0.00 O ATOM 961 CB GLU A 68 1.767 -1.887 -12.706 1.00 0.00 C ATOM 962 CG GLU A 68 2.749 -2.616 -13.607 1.00 0.00 C ATOM 963 CD GLU A 68 2.417 -2.460 -15.078 1.00 0.00 C ATOM 964 OE1 GLU A 68 1.686 -1.509 -15.425 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.889 -3.290 -15.884 1.00 0.00 O ATOM 0 H GLU A 68 0.809 -4.057 -12.035 1.00 0.00 H new ATOM 0 HA GLU A 68 2.824 -2.475 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.760 -2.009 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.991 -0.820 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.755 -2.238 -13.423 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.755 -3.675 -13.350 1.00 0.00 H new ATOM 972 N GLY A 69 1.890 -0.570 -9.636 1.00 0.00 N ATOM 973 CA GLY A 69 1.335 0.433 -8.746 1.00 0.00 C ATOM 974 C GLY A 69 1.296 -0.030 -7.303 1.00 0.00 C ATOM 975 O GLY A 69 0.608 0.562 -6.472 1.00 0.00 O ATOM 0 H GLY A 69 2.909 -0.610 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.928 1.345 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.325 0.684 -9.071 1.00 0.00 H new ATOM 979 N ASP A 70 2.036 -1.092 -7.005 1.00 0.00 N ATOM 980 CA ASP A 70 2.084 -1.635 -5.652 1.00 0.00 C ATOM 981 C ASP A 70 3.272 -1.070 -4.881 1.00 0.00 C ATOM 982 O ASP A 70 4.370 -0.935 -5.422 1.00 0.00 O ATOM 983 CB ASP A 70 2.168 -3.162 -5.695 1.00 0.00 C ATOM 984 CG ASP A 70 0.823 -3.809 -5.963 1.00 0.00 C ATOM 985 OD1 ASP A 70 -0.082 -3.109 -6.464 1.00 0.00 O ATOM 986 OD2 ASP A 70 0.675 -5.014 -5.670 1.00 0.00 O ATOM 0 H ASP A 70 2.611 -1.594 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 70 1.168 -1.343 -5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.873 -3.462 -6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.561 -3.528 -4.747 1.00 0.00 H new ATOM 991 N LYS A 71 3.045 -0.738 -3.614 1.00 0.00 N ATOM 992 CA LYS A 71 4.096 -0.187 -2.767 1.00 0.00 C ATOM 993 C LYS A 71 4.612 -1.236 -1.788 1.00 0.00 C ATOM 994 O LYS A 71 3.964 -1.534 -0.784 1.00 0.00 O ATOM 995 CB LYS A 71 3.574 1.030 -1.999 1.00 0.00 C ATOM 996 CG LYS A 71 4.652 1.767 -1.223 1.00 0.00 C ATOM 997 CD LYS A 71 4.993 1.051 0.073 1.00 0.00 C ATOM 998 CE LYS A 71 5.582 2.007 1.099 1.00 0.00 C ATOM 999 NZ LYS A 71 4.575 2.993 1.581 1.00 0.00 N ATOM 0 H LYS A 71 2.142 -0.841 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 71 4.921 0.122 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.108 1.720 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.797 0.706 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.548 1.856 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.315 2.780 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.095 0.586 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.703 0.249 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.968 1.439 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.427 2.537 0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.861 3.354 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.513 3.783 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.647 2.531 1.659 1.00 0.00 H new ATOM 1013 N ILE A 72 5.782 -1.792 -2.086 1.00 0.00 N ATOM 1014 CA ILE A 72 6.385 -2.806 -1.230 1.00 0.00 C ATOM 1015 C ILE A 72 6.809 -2.213 0.109 1.00 0.00 C ATOM 1016 O ILE A 72 7.895 -1.648 0.235 1.00 0.00 O ATOM 1017 CB ILE A 72 7.610 -3.454 -1.903 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.206 -4.109 -3.225 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.247 -4.474 -0.972 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.352 -4.254 -4.202 1.00 0.00 C ATOM 0 H ILE A 72 6.331 -1.557 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 72 5.626 -3.570 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 72 8.344 -2.677 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.787 -5.094 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.417 -3.517 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.111 -4.923 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.566 -3.980 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.521 -5.251 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.993 -4.726 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.757 -3.270 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.133 -4.871 -3.758 1.00 0.00 H new ATOM 1032 N LEU A 73 5.944 -2.348 1.109 1.00 0.00 N ATOM 1033 CA LEU A 73 6.229 -1.828 2.442 1.00 0.00 C ATOM 1034 C LEU A 73 7.490 -2.465 3.017 1.00 0.00 C ATOM 1035 O LEU A 73 8.397 -1.768 3.473 1.00 0.00 O ATOM 1036 CB LEU A 73 5.043 -2.083 3.374 1.00 0.00 C ATOM 1037 CG LEU A 73 3.665 -1.717 2.823 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.597 -2.630 3.406 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.342 -0.260 3.119 1.00 0.00 C ATOM 0 H LEU A 73 5.040 -2.813 1.022 1.00 0.00 H new ATOM 0 HA LEU A 73 6.393 -0.754 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.037 -3.140 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.204 -1.523 4.295 1.00 0.00 H new ATOM 0 HG LEU A 73 3.680 -1.853 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.623 -2.354 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.819 -3.664 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.583 -2.527 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.357 -0.017 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.346 -0.098 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.091 0.381 2.653 1.00 0.00 H new ATOM 1051 N SER A 74 7.540 -3.793 2.992 1.00 0.00 N ATOM 1052 CA SER A 74 8.689 -4.524 3.513 1.00 0.00 C ATOM 1053 C SER A 74 8.965 -5.769 2.675 1.00 0.00 C ATOM 1054 O SER A 74 8.155 -6.159 1.834 1.00 0.00 O ATOM 1055 CB SER A 74 8.450 -4.920 4.971 1.00 0.00 C ATOM 1056 OG SER A 74 8.342 -3.774 5.799 1.00 0.00 O ATOM 0 H SER A 74 6.799 -4.384 2.617 1.00 0.00 H new ATOM 0 HA SER A 74 9.559 -3.870 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.539 -5.514 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.269 -5.549 5.320 1.00 0.00 H new ATOM 0 HG SER A 74 8.188 -4.053 6.726 1.00 0.00 H new ATOM 1062 N VAL A 75 10.116 -6.390 2.912 1.00 0.00 N ATOM 1063 CA VAL A 75 10.501 -7.592 2.181 1.00 0.00 C ATOM 1064 C VAL A 75 11.278 -8.553 3.074 1.00 0.00 C ATOM 1065 O VAL A 75 12.191 -8.148 3.792 1.00 0.00 O ATOM 1066 CB VAL A 75 11.357 -7.249 0.947 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.405 -6.205 1.298 1.00 0.00 C ATOM 1068 CG2 VAL A 75 12.009 -8.504 0.386 1.00 0.00 C ATOM 0 H VAL A 75 10.798 -6.081 3.604 1.00 0.00 H new ATOM 0 HA VAL A 75 9.579 -8.071 1.852 1.00 0.00 H new ATOM 0 HB VAL A 75 10.706 -6.831 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.000 -5.975 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.912 -5.298 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.055 -6.592 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.610 -8.243 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.648 -8.953 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.237 -9.216 0.094 1.00 0.00 H new ATOM 1078 N ASN A 76 10.910 -9.829 3.022 1.00 0.00 N ATOM 1079 CA ASN A 76 11.573 -10.849 3.826 1.00 0.00 C ATOM 1080 C ASN A 76 11.721 -10.389 5.273 1.00 0.00 C ATOM 1081 O ASN A 76 12.733 -10.656 5.920 1.00 0.00 O ATOM 1082 CB ASN A 76 12.948 -11.176 3.240 1.00 0.00 C ATOM 1083 CG ASN A 76 12.870 -11.614 1.790 1.00 0.00 C ATOM 1084 OD1 ASN A 76 12.160 -12.562 1.454 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.600 -10.923 0.923 1.00 0.00 N ATOM 0 H ASN A 76 10.156 -10.181 2.432 1.00 0.00 H new ATOM 0 HA ASN A 76 10.956 -11.747 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.591 -10.299 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.413 -11.965 3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.587 -11.171 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.174 -10.144 1.246 1.00 0.00 H new ATOM 1092 N GLY A 77 10.704 -9.696 5.776 1.00 0.00 N ATOM 1093 CA GLY A 77 10.740 -9.211 7.143 1.00 0.00 C ATOM 1094 C GLY A 77 11.673 -8.029 7.314 1.00 0.00 C ATOM 1095 O GLY A 77 12.157 -7.767 8.415 1.00 0.00 O ATOM 0 H GLY A 77 9.855 -9.462 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.734 -8.924 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.056 -10.018 7.804 1.00 0.00 H new ATOM 1099 N GLN A 78 11.927 -7.315 6.222 1.00 0.00 N ATOM 1100 CA GLN A 78 12.811 -6.156 6.257 1.00 0.00 C ATOM 1101 C GLN A 78 12.073 -4.895 5.820 1.00 0.00 C ATOM 1102 O GLN A 78 11.438 -4.870 4.766 1.00 0.00 O ATOM 1103 CB GLN A 78 14.026 -6.388 5.357 1.00 0.00 C ATOM 1104 CG GLN A 78 14.903 -7.546 5.804 1.00 0.00 C ATOM 1105 CD GLN A 78 16.262 -7.544 5.131 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.967 -6.535 5.134 1.00 0.00 O ATOM 1107 NE2 GLN A 78 16.636 -8.677 4.549 1.00 0.00 N ATOM 0 H GLN A 78 11.534 -7.518 5.303 1.00 0.00 H new ATOM 0 HA GLN A 78 13.149 -6.019 7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.683 -6.575 4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.626 -5.478 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.037 -7.499 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.396 -8.486 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.019 -9.489 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.540 -8.735 4.080 1.00 0.00 H new ATOM 1116 N ASP A 79 12.161 -3.851 6.637 1.00 0.00 N ATOM 1117 CA ASP A 79 11.501 -2.586 6.335 1.00 0.00 C ATOM 1118 C ASP A 79 12.332 -1.760 5.358 1.00 0.00 C ATOM 1119 O ASP A 79 13.507 -1.483 5.606 1.00 0.00 O ATOM 1120 CB ASP A 79 11.262 -1.791 7.620 1.00 0.00 C ATOM 1121 CG ASP A 79 10.719 -2.654 8.742 1.00 0.00 C ATOM 1122 OD1 ASP A 79 11.512 -3.399 9.356 1.00 0.00 O ATOM 1123 OD2 ASP A 79 9.501 -2.585 9.006 1.00 0.00 O ATOM 0 H ASP A 79 12.683 -3.856 7.513 1.00 0.00 H new ATOM 0 HA ASP A 79 10.540 -2.807 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.198 -1.332 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.562 -0.981 7.417 1.00 0.00 H new ATOM 1128 N LEU A 80 11.716 -1.371 4.248 1.00 0.00 N ATOM 1129 CA LEU A 80 12.399 -0.577 3.232 1.00 0.00 C ATOM 1130 C LEU A 80 12.221 0.915 3.496 1.00 0.00 C ATOM 1131 O LEU A 80 11.214 1.509 3.110 1.00 0.00 O ATOM 1132 CB LEU A 80 11.869 -0.927 1.841 1.00 0.00 C ATOM 1133 CG LEU A 80 12.051 -2.380 1.399 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.931 -2.796 0.459 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.407 -2.569 0.734 1.00 0.00 C ATOM 0 H LEU A 80 10.745 -1.592 4.028 1.00 0.00 H new ATOM 0 HA LEU A 80 13.463 -0.811 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.806 -0.689 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.362 -0.282 1.113 1.00 0.00 H new ATOM 0 HG LEU A 80 12.010 -3.017 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.077 -3.832 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.973 -2.699 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.939 -2.155 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.519 -3.608 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.477 -1.922 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.197 -2.312 1.440 1.00 0.00 H new ATOM 1147 N LYS A 81 13.206 1.516 4.154 1.00 0.00 N ATOM 1148 CA LYS A 81 13.161 2.940 4.467 1.00 0.00 C ATOM 1149 C LYS A 81 14.568 3.518 4.577 1.00 0.00 C ATOM 1150 O LYS A 81 15.518 2.806 4.902 1.00 0.00 O ATOM 1151 CB LYS A 81 12.399 3.171 5.775 1.00 0.00 C ATOM 1152 CG LYS A 81 12.983 2.421 6.960 1.00 0.00 C ATOM 1153 CD LYS A 81 12.486 2.989 8.279 1.00 0.00 C ATOM 1154 CE LYS A 81 12.525 1.945 9.384 1.00 0.00 C ATOM 1155 NZ LYS A 81 11.261 1.160 9.451 1.00 0.00 N ATOM 0 H LYS A 81 14.046 1.039 4.481 1.00 0.00 H new ATOM 0 HA LYS A 81 12.641 3.449 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.393 4.238 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.361 2.867 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.715 1.367 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.071 2.476 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.100 3.844 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.466 3.355 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.364 1.269 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.699 2.436 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.402 0.326 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.505 1.753 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.992 0.853 8.495 1.00 0.00 H new ATOM 1169 N ASN A 82 14.694 4.813 4.305 1.00 0.00 N ATOM 1170 CA ASN A 82 15.985 5.486 4.375 1.00 0.00 C ATOM 1171 C ASN A 82 17.052 4.695 3.624 1.00 0.00 C ATOM 1172 O ASN A 82 18.183 4.557 4.092 1.00 0.00 O ATOM 1173 CB ASN A 82 16.407 5.676 5.833 1.00 0.00 C ATOM 1174 CG ASN A 82 15.683 6.831 6.498 1.00 0.00 C ATOM 1175 OD1 ASN A 82 15.565 7.915 5.928 1.00 0.00 O ATOM 1176 ND2 ASN A 82 15.195 6.602 7.712 1.00 0.00 N ATOM 0 H ASN A 82 13.918 5.417 4.034 1.00 0.00 H new ATOM 0 HA ASN A 82 15.883 6.463 3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.210 4.759 6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.482 5.850 5.878 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.699 7.341 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.317 5.687 8.146 1.00 0.00 H new ATOM 1183 N LEU A 83 16.686 4.178 2.456 1.00 0.00 N ATOM 1184 CA LEU A 83 17.611 3.401 1.639 1.00 0.00 C ATOM 1185 C LEU A 83 17.683 3.956 0.221 1.00 0.00 C ATOM 1186 O LEU A 83 16.808 4.710 -0.208 1.00 0.00 O ATOM 1187 CB LEU A 83 17.181 1.933 1.603 1.00 0.00 C ATOM 1188 CG LEU A 83 15.685 1.676 1.424 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.242 2.062 0.021 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.357 0.217 1.706 1.00 0.00 C ATOM 0 H LEU A 83 15.755 4.283 2.054 1.00 0.00 H new ATOM 0 HA LEU A 83 18.602 3.472 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.714 1.439 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.502 1.458 2.530 1.00 0.00 H new ATOM 0 HG LEU A 83 15.141 2.294 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.174 1.872 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.441 3.121 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.793 1.470 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.288 0.052 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.910 -0.420 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.638 -0.028 2.730 1.00 0.00 H new ATOM 1202 N LEU A 84 18.729 3.577 -0.505 1.00 0.00 N ATOM 1203 CA LEU A 84 18.915 4.036 -1.877 1.00 0.00 C ATOM 1204 C LEU A 84 18.456 2.975 -2.873 1.00 0.00 C ATOM 1205 O LEU A 84 18.220 1.824 -2.504 1.00 0.00 O ATOM 1206 CB LEU A 84 20.384 4.382 -2.126 1.00 0.00 C ATOM 1207 CG LEU A 84 21.113 5.077 -0.976 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.595 4.737 -1.000 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.909 6.584 -1.048 1.00 0.00 C ATOM 0 H LEU A 84 19.461 2.953 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 84 18.308 4.930 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.918 3.462 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.442 5.022 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 84 20.694 4.718 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.097 5.241 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.723 3.659 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.029 5.067 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.435 7.062 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.301 6.959 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.845 6.811 -0.981 1.00 0.00 H new ATOM 1221 N HIS A 85 18.332 3.370 -4.136 1.00 0.00 N ATOM 1222 CA HIS A 85 17.903 2.452 -5.185 1.00 0.00 C ATOM 1223 C HIS A 85 18.697 1.150 -5.126 1.00 0.00 C ATOM 1224 O HIS A 85 18.127 0.062 -5.195 1.00 0.00 O ATOM 1225 CB HIS A 85 18.069 3.102 -6.559 1.00 0.00 C ATOM 1226 CG HIS A 85 17.400 2.345 -7.665 1.00 0.00 C ATOM 1227 ND1 HIS A 85 16.030 2.222 -7.771 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.919 1.670 -8.717 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.736 1.504 -8.840 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.865 1.157 -9.432 1.00 0.00 N ATOM 0 H HIS A 85 18.522 4.319 -4.458 1.00 0.00 H new ATOM 0 HA HIS A 85 16.850 2.222 -5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.663 4.113 -6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 85 19.132 3.192 -6.783 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.350 2.623 -7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.967 1.556 -8.951 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.742 1.245 -9.173 1.00 0.00 H new ATOM 1238 N GLN A 86 20.014 1.271 -4.998 1.00 0.00 N ATOM 1239 CA GLN A 86 20.885 0.104 -4.931 1.00 0.00 C ATOM 1240 C GLN A 86 20.572 -0.739 -3.699 1.00 0.00 C ATOM 1241 O GLN A 86 20.520 -1.967 -3.772 1.00 0.00 O ATOM 1242 CB GLN A 86 22.352 0.536 -4.908 1.00 0.00 C ATOM 1243 CG GLN A 86 23.323 -0.614 -4.693 1.00 0.00 C ATOM 1244 CD GLN A 86 23.473 -1.488 -5.923 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.521 -1.495 -6.569 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.424 -2.232 -6.253 1.00 0.00 N ATOM 0 H GLN A 86 20.501 2.165 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 86 20.706 -0.502 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.591 1.031 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.493 1.272 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.298 -0.214 -4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.979 -1.224 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.575 -2.195 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.467 -2.840 -7.070 1.00 0.00 H new ATOM 1255 N ASP A 87 20.366 -0.072 -2.569 1.00 0.00 N ATOM 1256 CA ASP A 87 20.057 -0.759 -1.321 1.00 0.00 C ATOM 1257 C ASP A 87 18.785 -1.590 -1.458 1.00 0.00 C ATOM 1258 O ASP A 87 18.669 -2.667 -0.874 1.00 0.00 O ATOM 1259 CB ASP A 87 19.902 0.250 -0.182 1.00 0.00 C ATOM 1260 CG ASP A 87 21.236 0.688 0.390 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.759 -0.015 1.279 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.756 1.734 -0.052 1.00 0.00 O ATOM 0 H ASP A 87 20.407 0.944 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 87 20.885 -1.430 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.362 1.124 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.298 -0.191 0.611 1.00 0.00 H new ATOM 1267 N ALA A 88 17.832 -1.081 -2.232 1.00 0.00 N ATOM 1268 CA ALA A 88 16.569 -1.776 -2.447 1.00 0.00 C ATOM 1269 C ALA A 88 16.763 -3.008 -3.323 1.00 0.00 C ATOM 1270 O ALA A 88 16.305 -4.100 -2.986 1.00 0.00 O ATOM 1271 CB ALA A 88 15.549 -0.836 -3.072 1.00 0.00 C ATOM 0 H ALA A 88 17.911 -0.189 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 88 16.195 -2.107 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.611 -1.368 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.380 0.011 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.925 -0.477 -4.030 1.00 0.00 H new ATOM 1277 N VAL A 89 17.443 -2.826 -4.451 1.00 0.00 N ATOM 1278 CA VAL A 89 17.697 -3.924 -5.376 1.00 0.00 C ATOM 1279 C VAL A 89 18.397 -5.083 -4.674 1.00 0.00 C ATOM 1280 O VAL A 89 18.011 -6.242 -4.833 1.00 0.00 O ATOM 1281 CB VAL A 89 18.558 -3.466 -6.568 1.00 0.00 C ATOM 1282 CG1 VAL A 89 19.121 -4.666 -7.313 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.746 -2.581 -7.502 1.00 0.00 C ATOM 0 H VAL A 89 17.828 -1.929 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 89 16.727 -4.258 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 89 19.395 -2.881 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.726 -4.322 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.739 -5.257 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.301 -5.281 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.370 -2.266 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.889 -3.139 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.397 -1.703 -6.959 1.00 0.00 H new ATOM 1293 N ASP A 90 19.426 -4.763 -3.898 1.00 0.00 N ATOM 1294 CA ASP A 90 20.179 -5.778 -3.170 1.00 0.00 C ATOM 1295 C ASP A 90 19.259 -6.596 -2.269 1.00 0.00 C ATOM 1296 O ASP A 90 19.341 -7.824 -2.231 1.00 0.00 O ATOM 1297 CB ASP A 90 21.281 -5.124 -2.334 1.00 0.00 C ATOM 1298 CG ASP A 90 22.500 -6.013 -2.186 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.329 -7.198 -1.831 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.624 -5.524 -2.423 1.00 0.00 O ATOM 0 H ASP A 90 19.758 -3.809 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 90 20.635 -6.449 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.575 -4.183 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.889 -4.883 -1.346 1.00 0.00 H new ATOM 1305 N LEU A 91 18.383 -5.907 -1.545 1.00 0.00 N ATOM 1306 CA LEU A 91 17.447 -6.570 -0.644 1.00 0.00 C ATOM 1307 C LEU A 91 16.622 -7.616 -1.387 1.00 0.00 C ATOM 1308 O LEU A 91 16.332 -8.687 -0.854 1.00 0.00 O ATOM 1309 CB LEU A 91 16.520 -5.542 0.007 1.00 0.00 C ATOM 1310 CG LEU A 91 15.630 -6.060 1.137 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.339 -7.159 1.913 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.229 -4.923 2.065 1.00 0.00 C ATOM 0 H LEU A 91 18.302 -4.890 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 91 18.024 -7.073 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.131 -4.728 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.880 -5.118 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 91 14.725 -6.479 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.691 -7.516 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.574 -7.985 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.261 -6.765 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.596 -5.311 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 91 16.123 -4.474 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.680 -4.169 1.501 1.00 0.00 H new ATOM 1324 N PHE A 92 16.249 -7.299 -2.623 1.00 0.00 N ATOM 1325 CA PHE A 92 15.459 -8.211 -3.441 1.00 0.00 C ATOM 1326 C PHE A 92 16.311 -9.377 -3.934 1.00 0.00 C ATOM 1327 O PHE A 92 15.984 -10.541 -3.702 1.00 0.00 O ATOM 1328 CB PHE A 92 14.853 -7.467 -4.633 1.00 0.00 C ATOM 1329 CG PHE A 92 13.706 -6.572 -4.261 1.00 0.00 C ATOM 1330 CD1 PHE A 92 13.821 -5.676 -3.211 1.00 0.00 C ATOM 1331 CD2 PHE A 92 12.512 -6.628 -4.962 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.767 -4.851 -2.866 1.00 0.00 C ATOM 1333 CE2 PHE A 92 11.454 -5.805 -4.622 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.581 -4.917 -3.572 1.00 0.00 C ATOM 0 H PHE A 92 16.482 -6.417 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 92 14.654 -8.608 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 92 15.629 -6.870 -5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.512 -8.194 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.745 -5.621 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.407 -7.322 -5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.870 -4.156 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.529 -5.857 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.755 -4.275 -3.303 1.00 0.00 H new ATOM 1344 N ARG A 93 17.406 -9.054 -4.615 1.00 0.00 N ATOM 1345 CA ARG A 93 18.305 -10.074 -5.143 1.00 0.00 C ATOM 1346 C ARG A 93 18.736 -11.040 -4.044 1.00 0.00 C ATOM 1347 O ARG A 93 18.898 -12.236 -4.284 1.00 0.00 O ATOM 1348 CB ARG A 93 19.536 -9.421 -5.774 1.00 0.00 C ATOM 1349 CG ARG A 93 20.657 -9.151 -4.784 1.00 0.00 C ATOM 1350 CD ARG A 93 21.913 -8.657 -5.486 1.00 0.00 C ATOM 1351 NE ARG A 93 23.100 -8.798 -4.647 1.00 0.00 N ATOM 1352 CZ ARG A 93 24.337 -8.593 -5.085 1.00 0.00 C ATOM 1353 NH1 ARG A 93 24.548 -8.240 -6.346 1.00 0.00 N ATOM 1354 NH2 ARG A 93 25.367 -8.741 -4.261 1.00 0.00 N ATOM 0 H ARG A 93 17.692 -8.095 -4.814 1.00 0.00 H new ATOM 0 HA ARG A 93 17.768 -10.636 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.912 -10.066 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 93 19.240 -8.481 -6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.330 -8.409 -4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 93 20.883 -10.063 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 93 22.055 -9.216 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.786 -7.610 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 93 22.972 -9.069 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.759 -8.125 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 93 25.499 -8.083 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.209 -9.012 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 93 26.317 -8.583 -4.598 1.00 0.00 H new ATOM 1368 N ASN A 94 18.920 -10.513 -2.838 1.00 0.00 N ATOM 1369 CA ASN A 94 19.334 -11.329 -1.702 1.00 0.00 C ATOM 1370 C ASN A 94 18.215 -12.275 -1.276 1.00 0.00 C ATOM 1371 O ASN A 94 18.466 -13.315 -0.668 1.00 0.00 O ATOM 1372 CB ASN A 94 19.737 -10.436 -0.526 1.00 0.00 C ATOM 1373 CG ASN A 94 20.457 -11.206 0.564 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.411 -11.937 0.297 1.00 0.00 O ATOM 1375 ND2 ASN A 94 20.000 -11.047 1.801 1.00 0.00 N ATOM 0 H ASN A 94 18.789 -9.525 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 94 20.194 -11.925 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.381 -9.634 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.847 -9.966 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.443 -11.541 2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.206 -10.431 1.976 1.00 0.00 H new ATOM 1382 N ALA A 95 16.980 -11.906 -1.600 1.00 0.00 N ATOM 1383 CA ALA A 95 15.823 -12.723 -1.254 1.00 0.00 C ATOM 1384 C ALA A 95 16.025 -14.171 -1.686 1.00 0.00 C ATOM 1385 O ALA A 95 15.639 -15.100 -0.977 1.00 0.00 O ATOM 1386 CB ALA A 95 14.564 -12.151 -1.889 1.00 0.00 C ATOM 0 H ALA A 95 16.755 -11.047 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 95 15.709 -12.707 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.708 -12.771 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.403 -11.135 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.678 -12.136 -2.973 1.00 0.00 H new ATOM 1392 N GLY A 96 16.631 -14.357 -2.855 1.00 0.00 N ATOM 1393 CA GLY A 96 16.872 -15.695 -3.361 1.00 0.00 C ATOM 1394 C GLY A 96 15.668 -16.269 -4.080 1.00 0.00 C ATOM 1395 O GLY A 96 14.747 -15.537 -4.445 1.00 0.00 O ATOM 0 H GLY A 96 16.959 -13.604 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.722 -15.675 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.143 -16.350 -2.533 1.00 0.00 H new ATOM 1399 N TYR A 97 15.673 -17.581 -4.286 1.00 0.00 N ATOM 1400 CA TYR A 97 14.574 -18.252 -4.970 1.00 0.00 C ATOM 1401 C TYR A 97 13.229 -17.680 -4.533 1.00 0.00 C ATOM 1402 O TYR A 97 12.413 -17.279 -5.362 1.00 0.00 O ATOM 1403 CB TYR A 97 14.615 -19.756 -4.694 1.00 0.00 C ATOM 1404 CG TYR A 97 13.664 -20.556 -5.554 1.00 0.00 C ATOM 1405 CD1 TYR A 97 13.756 -20.524 -6.940 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.673 -21.344 -4.982 1.00 0.00 C ATOM 1407 CE1 TYR A 97 12.889 -21.253 -7.731 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.802 -22.077 -5.765 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.914 -22.028 -7.138 1.00 0.00 C ATOM 1410 OH TYR A 97 11.048 -22.756 -7.922 1.00 0.00 O ATOM 0 H TYR A 97 16.426 -18.201 -3.989 1.00 0.00 H new ATOM 0 HA TYR A 97 14.690 -18.083 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.630 -20.119 -4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.377 -19.931 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.519 -19.919 -7.407 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.582 -21.384 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.974 -21.216 -8.807 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.038 -22.685 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 97 10.423 -23.248 -7.349 1.00 0.00 H new ATOM 1420 N ALA A 98 13.007 -17.644 -3.223 1.00 0.00 N ATOM 1421 CA ALA A 98 11.763 -17.119 -2.674 1.00 0.00 C ATOM 1422 C ALA A 98 11.901 -15.643 -2.315 1.00 0.00 C ATOM 1423 O ALA A 98 12.738 -15.269 -1.493 1.00 0.00 O ATOM 1424 CB ALA A 98 11.344 -17.923 -1.452 1.00 0.00 C ATOM 0 H ALA A 98 13.672 -17.972 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 98 10.991 -17.210 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.413 -17.520 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.196 -18.965 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.122 -17.861 -0.691 1.00 0.00 H new ATOM 1430 N VAL A 99 11.076 -14.808 -2.938 1.00 0.00 N ATOM 1431 CA VAL A 99 11.106 -13.372 -2.684 1.00 0.00 C ATOM 1432 C VAL A 99 9.773 -12.884 -2.129 1.00 0.00 C ATOM 1433 O VAL A 99 8.767 -12.855 -2.838 1.00 0.00 O ATOM 1434 CB VAL A 99 11.437 -12.582 -3.964 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.426 -11.087 -3.687 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.781 -13.019 -4.526 1.00 0.00 C ATOM 0 H VAL A 99 10.379 -15.101 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 99 11.889 -13.198 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 99 10.671 -12.794 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.662 -10.545 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.439 -10.790 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.170 -10.853 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.999 -12.451 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.561 -12.838 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.747 -14.082 -4.765 1.00 0.00 H new ATOM 1446 N SER A 100 9.772 -12.500 -0.857 1.00 0.00 N ATOM 1447 CA SER A 100 8.561 -12.015 -0.205 1.00 0.00 C ATOM 1448 C SER A 100 8.488 -10.492 -0.258 1.00 0.00 C ATOM 1449 O SER A 100 9.396 -9.799 0.201 1.00 0.00 O ATOM 1450 CB SER A 100 8.514 -12.489 1.249 1.00 0.00 C ATOM 1451 OG SER A 100 7.868 -13.745 1.356 1.00 0.00 O ATOM 0 H SER A 100 10.597 -12.515 -0.257 1.00 0.00 H new ATOM 0 HA SER A 100 7.703 -12.421 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.527 -12.563 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.988 -11.753 1.858 1.00 0.00 H new ATOM 0 HG SER A 100 7.091 -13.664 1.947 1.00 0.00 H new ATOM 1457 N LEU A 101 7.400 -9.978 -0.821 1.00 0.00 N ATOM 1458 CA LEU A 101 7.206 -8.537 -0.936 1.00 0.00 C ATOM 1459 C LEU A 101 5.839 -8.127 -0.396 1.00 0.00 C ATOM 1460 O LEU A 101 4.806 -8.456 -0.980 1.00 0.00 O ATOM 1461 CB LEU A 101 7.344 -8.098 -2.394 1.00 0.00 C ATOM 1462 CG LEU A 101 8.510 -8.708 -3.172 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.193 -8.759 -4.658 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.787 -7.918 -2.924 1.00 0.00 C ATOM 0 H LEU A 101 6.639 -10.538 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 101 7.974 -8.043 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.418 -8.343 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.446 -7.013 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 101 8.662 -9.728 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.035 -9.196 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.304 -9.368 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.013 -7.749 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.607 -8.366 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.646 -6.887 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.024 -7.934 -1.860 1.00 0.00 H new ATOM 1476 N ARG A 102 5.842 -7.405 0.720 1.00 0.00 N ATOM 1477 CA ARG A 102 4.602 -6.950 1.338 1.00 0.00 C ATOM 1478 C ARG A 102 4.165 -5.609 0.754 1.00 0.00 C ATOM 1479 O ARG A 102 4.707 -4.561 1.105 1.00 0.00 O ATOM 1480 CB ARG A 102 4.778 -6.826 2.852 1.00 0.00 C ATOM 1481 CG ARG A 102 3.469 -6.884 3.624 1.00 0.00 C ATOM 1482 CD ARG A 102 3.587 -6.193 4.973 1.00 0.00 C ATOM 1483 NE ARG A 102 2.460 -6.504 5.848 1.00 0.00 N ATOM 1484 CZ ARG A 102 2.279 -7.690 6.419 1.00 0.00 C ATOM 1485 NH1 ARG A 102 3.146 -8.670 6.210 1.00 0.00 N ATOM 1486 NH2 ARG A 102 1.228 -7.896 7.203 1.00 0.00 N ATOM 0 H ARG A 102 6.688 -7.123 1.214 1.00 0.00 H new ATOM 0 HA ARG A 102 3.828 -7.688 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.431 -7.626 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.280 -5.885 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.679 -6.411 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.178 -7.924 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.516 -6.497 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.644 -5.115 4.824 1.00 0.00 H new ATOM 0 HE ARG A 102 1.775 -5.771 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.956 -8.515 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.004 -9.579 6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.559 -7.144 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.089 -8.807 7.641 1.00 0.00 H new ATOM 1500 N VAL A 103 3.182 -5.651 -0.139 1.00 0.00 N ATOM 1501 CA VAL A 103 2.671 -4.440 -0.772 1.00 0.00 C ATOM 1502 C VAL A 103 1.327 -4.035 -0.177 1.00 0.00 C ATOM 1503 O VAL A 103 0.671 -4.830 0.495 1.00 0.00 O ATOM 1504 CB VAL A 103 2.513 -4.625 -2.292 1.00 0.00 C ATOM 1505 CG1 VAL A 103 3.852 -4.959 -2.932 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.485 -5.705 -2.594 1.00 0.00 C ATOM 0 H VAL A 103 2.723 -6.510 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 103 3.400 -3.652 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 103 2.157 -3.687 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.720 -5.086 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.556 -4.148 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.240 -5.882 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.387 -5.822 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.809 -6.649 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.522 -5.419 -2.171 1.00 0.00 H new ATOM 1516 N GLN A 104 0.924 -2.795 -0.431 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.343 -2.284 0.079 1.00 0.00 C ATOM 1518 C GLN A 104 -1.256 -1.853 -1.064 1.00 0.00 C ATOM 1519 O GLN A 104 -0.947 -0.915 -1.799 1.00 0.00 O ATOM 1520 CB GLN A 104 -0.099 -1.107 1.024 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.368 -0.363 1.411 1.00 0.00 C ATOM 1522 CD GLN A 104 -1.111 0.752 2.405 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.326 1.927 2.106 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.648 0.389 3.595 1.00 0.00 N ATOM 0 H GLN A 104 1.456 -2.125 -0.987 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.834 -3.087 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.388 -1.473 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.591 -0.409 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.828 0.053 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -2.082 -1.068 1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.484 -0.597 3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.456 1.096 4.305 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.382 -2.545 -1.208 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.341 -2.233 -2.262 1.00 0.00 C ATOM 1535 C HIS A 105 -4.259 -1.089 -1.841 1.00 0.00 C ATOM 1536 O HIS A 105 -5.128 -1.261 -0.985 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.172 -3.469 -2.607 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.346 -4.682 -2.906 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.338 -4.693 -3.846 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.383 -5.929 -2.381 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.790 -5.894 -3.888 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.406 -6.664 -3.008 1.00 0.00 N ATOM 0 H HIS A 105 -2.653 -3.325 -0.609 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.784 -1.921 -3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.841 -3.691 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.800 -3.245 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.055 -6.281 -1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.977 -6.195 -4.532 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.191 -7.644 -2.824 1.00 0.00 H new ATOM 1550 N ARG A 106 -4.060 0.077 -2.447 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.868 1.249 -2.132 1.00 0.00 C ATOM 1552 C ARG A 106 -5.932 1.478 -3.202 1.00 0.00 C ATOM 1553 O ARG A 106 -5.670 2.110 -4.227 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.981 2.488 -2.006 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.809 2.304 -1.056 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.706 3.315 -1.328 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.957 3.647 -0.119 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.056 4.506 -0.094 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.438 5.117 -1.207 1.00 0.00 N ATOM 1560 NH2 ARG A 106 0.688 4.755 1.045 1.00 0.00 N ATOM 0 H ARG A 106 -3.347 0.235 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.367 1.070 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.600 2.754 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.588 3.326 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.154 2.408 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.412 1.294 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.024 2.914 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.141 4.223 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.227 3.194 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.046 4.928 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.216 5.776 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.396 4.287 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.466 5.415 1.063 1.00 0.00 H new