USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 65 SER OG : rot 4:sc= 1.17 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.34) USER MOD Single : A 19 MET CE :methyl 149:sc= -0.127 (180deg=-1.48) USER MOD Single : A 20 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 166:sc= -0.104 (180deg=-0.237) USER MOD Single : A 26 ASN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.042) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 34 TYR OH : rot 130:sc= -1.07 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.57! C(o=-3.6!,f=-13!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.81) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -146:sc= -2.41 (180deg=-3.95!) USER MOD Single : A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 57 THR OG1 : rot 68:sc= 0.506 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.164 USER MOD Single : A 62 SER OG : rot 25:sc= 0.0293 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 24:sc= 0.536 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.62) USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.382) USER MOD Single : A 79 GLN : amide:sc=-0.00626 K(o=-0.0063,f=-1.1) USER MOD Single : A 81 MET CE :methyl -129:sc= -10.4! (180deg=-20.4!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.807 -13.145 -1.203 1.00 0.00 N ATOM 237 CA LEU A 18 -9.799 -11.946 -0.372 1.00 0.00 C ATOM 238 C LEU A 18 -8.416 -11.302 -0.359 1.00 0.00 C ATOM 239 O LEU A 18 -8.290 -10.083 -0.244 1.00 0.00 O ATOM 240 CB LEU A 18 -10.228 -12.288 1.056 1.00 0.00 C ATOM 241 CG LEU A 18 -9.555 -13.509 1.684 1.00 0.00 C ATOM 242 CD1 LEU A 18 -8.256 -13.111 2.367 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.494 -14.186 2.673 1.00 0.00 C ATOM 0 HA LEU A 18 -10.507 -11.235 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.032 -11.423 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.306 -12.449 1.062 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.321 -14.219 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.792 -13.993 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.579 -12.673 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.465 -12.382 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.999 -15.053 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.759 -13.483 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.398 -14.508 2.155 1.00 0.00 H new ATOM 255 N MET A 19 -7.383 -12.129 -0.481 1.00 0.00 N ATOM 256 CA MET A 19 -6.009 -11.638 -0.487 1.00 0.00 C ATOM 257 C MET A 19 -5.736 -10.800 -1.732 1.00 0.00 C ATOM 258 O MET A 19 -4.662 -10.218 -1.876 1.00 0.00 O ATOM 259 CB MET A 19 -5.027 -12.810 -0.421 1.00 0.00 C ATOM 260 CG MET A 19 -4.876 -13.551 -1.739 1.00 0.00 C ATOM 261 SD MET A 19 -6.279 -14.625 -2.097 1.00 0.00 S ATOM 262 CE MET A 19 -6.859 -13.922 -3.639 1.00 0.00 C ATOM 0 H MET A 19 -7.470 -13.141 -0.577 1.00 0.00 H new ATOM 0 HA MET A 19 -5.871 -11.007 0.391 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.051 -12.438 -0.109 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.361 -13.511 0.344 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.762 -12.828 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.964 -14.148 -1.714 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.302 -14.707 -4.253 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.608 -13.158 -3.432 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.021 -13.473 -4.172 1.00 0.00 H new ATOM 272 N ASN A 20 -6.716 -10.745 -2.629 1.00 0.00 N ATOM 273 CA ASN A 20 -6.580 -9.978 -3.862 1.00 0.00 C ATOM 274 C ASN A 20 -6.292 -8.511 -3.561 1.00 0.00 C ATOM 275 O ASN A 20 -5.320 -7.943 -4.060 1.00 0.00 O ATOM 276 CB ASN A 20 -7.852 -10.098 -4.704 1.00 0.00 C ATOM 277 CG ASN A 20 -9.003 -9.295 -4.129 1.00 0.00 C ATOM 278 OD1 ASN A 20 -9.323 -8.212 -4.618 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.631 -9.826 -3.086 1.00 0.00 N ATOM 0 H ASN A 20 -7.612 -11.222 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.740 -10.386 -4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.646 -9.758 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.142 -11.146 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.414 -9.333 -2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.330 -10.727 -2.714 1.00 0.00 H new ATOM 286 N ALA A 21 -7.143 -7.902 -2.742 1.00 0.00 N ATOM 287 CA ALA A 21 -6.979 -6.502 -2.372 1.00 0.00 C ATOM 288 C ALA A 21 -5.503 -6.129 -2.274 1.00 0.00 C ATOM 289 O ALA A 21 -5.110 -5.012 -2.614 1.00 0.00 O ATOM 290 CB ALA A 21 -7.685 -6.217 -1.056 1.00 0.00 C ATOM 0 H ALA A 21 -7.954 -8.357 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.431 -5.891 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.554 -5.167 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.748 -6.435 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.260 -6.844 -0.272 1.00 0.00 H new ATOM 296 N LEU A 22 -4.690 -7.070 -1.808 1.00 0.00 N ATOM 297 CA LEU A 22 -3.257 -6.841 -1.664 1.00 0.00 C ATOM 298 C LEU A 22 -2.574 -6.790 -3.027 1.00 0.00 C ATOM 299 O LEU A 22 -2.080 -5.743 -3.446 1.00 0.00 O ATOM 300 CB LEU A 22 -2.627 -7.940 -0.807 1.00 0.00 C ATOM 301 CG LEU A 22 -2.630 -7.698 0.703 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.000 -8.874 1.433 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.899 -6.406 1.038 1.00 0.00 C ATOM 0 H LEU A 22 -4.999 -7.999 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.117 -5.879 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.152 -8.874 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.595 -8.079 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.664 -7.603 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.011 -8.684 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.566 -9.781 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.971 -9.001 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.911 -6.250 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.867 -6.472 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.394 -5.569 0.545 1.00 0.00 H new ATOM 315 N MET A 23 -2.552 -7.927 -3.715 1.00 0.00 N ATOM 316 CA MET A 23 -1.933 -8.010 -5.033 1.00 0.00 C ATOM 317 C MET A 23 -2.428 -6.887 -5.938 1.00 0.00 C ATOM 318 O MET A 23 -1.698 -6.410 -6.807 1.00 0.00 O ATOM 319 CB MET A 23 -2.231 -9.367 -5.675 1.00 0.00 C ATOM 320 CG MET A 23 -1.198 -10.433 -5.349 1.00 0.00 C ATOM 321 SD MET A 23 -1.799 -12.103 -5.668 1.00 0.00 S ATOM 322 CE MET A 23 -2.469 -12.534 -4.064 1.00 0.00 C ATOM 0 H MET A 23 -2.955 -8.803 -3.382 1.00 0.00 H new ATOM 0 HA MET A 23 -0.855 -7.904 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.211 -9.709 -5.343 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.285 -9.244 -6.757 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.299 -10.255 -5.940 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.912 -10.348 -4.301 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.092 -13.423 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.652 -12.734 -3.370 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.071 -11.707 -3.687 1.00 0.00 H new ATOM 332 N ARG A 24 -3.672 -6.469 -5.730 1.00 0.00 N ATOM 333 CA ARG A 24 -4.265 -5.403 -6.528 1.00 0.00 C ATOM 334 C ARG A 24 -3.523 -4.087 -6.314 1.00 0.00 C ATOM 335 O ARG A 24 -2.995 -3.498 -7.259 1.00 0.00 O ATOM 336 CB ARG A 24 -5.743 -5.231 -6.173 1.00 0.00 C ATOM 337 CG ARG A 24 -6.605 -6.422 -6.560 1.00 0.00 C ATOM 338 CD ARG A 24 -6.989 -6.376 -8.031 1.00 0.00 C ATOM 339 NE ARG A 24 -5.985 -7.013 -8.879 1.00 0.00 N ATOM 340 CZ ARG A 24 -5.801 -8.327 -8.941 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.551 -9.140 -8.208 1.00 0.00 N ATOM 342 NH2 ARG A 24 -4.867 -8.832 -9.737 1.00 0.00 N ATOM 0 H ARG A 24 -4.289 -6.853 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.182 -5.681 -7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.833 -5.062 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.126 -4.339 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.066 -7.346 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.507 -6.435 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.949 -6.873 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.119 -5.339 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.392 -6.416 -9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.271 -8.756 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.408 -10.149 -8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.289 -8.211 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.727 -9.841 -9.783 1.00 0.00 H new ATOM 356 N LEU A 25 -3.486 -3.631 -5.067 1.00 0.00 N ATOM 357 CA LEU A 25 -2.809 -2.384 -4.728 1.00 0.00 C ATOM 358 C LEU A 25 -1.422 -2.328 -5.361 1.00 0.00 C ATOM 359 O LEU A 25 -0.985 -1.278 -5.829 1.00 0.00 O ATOM 360 CB LEU A 25 -2.695 -2.239 -3.209 1.00 0.00 C ATOM 361 CG LEU A 25 -2.530 -0.813 -2.682 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.825 -0.032 -2.839 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.089 -0.832 -1.225 1.00 0.00 C ATOM 0 H LEU A 25 -3.917 -4.106 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.402 -1.559 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.586 -2.672 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.845 -2.831 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.758 -0.316 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.688 0.980 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.099 0.011 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.618 -0.526 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.976 0.191 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.839 -1.347 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.136 -1.353 -1.140 1.00 0.00 H new ATOM 375 N ASN A 26 -0.736 -3.466 -5.373 1.00 0.00 N ATOM 376 CA ASN A 26 0.601 -3.547 -5.950 1.00 0.00 C ATOM 377 C ASN A 26 0.551 -3.368 -7.464 1.00 0.00 C ATOM 378 O ASN A 26 1.410 -2.709 -8.049 1.00 0.00 O ATOM 379 CB ASN A 26 1.248 -4.889 -5.604 1.00 0.00 C ATOM 380 CG ASN A 26 1.634 -4.986 -4.141 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.680 -4.482 -3.729 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.790 -5.635 -3.348 1.00 0.00 N ATOM 0 H ASN A 26 -1.084 -4.345 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 26 1.202 -2.742 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.557 -5.696 -5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.135 -5.031 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.997 -5.732 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.065 -6.037 -3.733 1.00 0.00 H new ATOM 389 N GLN A 27 -0.461 -3.959 -8.091 1.00 0.00 N ATOM 390 CA GLN A 27 -0.622 -3.864 -9.537 1.00 0.00 C ATOM 391 C GLN A 27 -0.733 -2.409 -9.979 1.00 0.00 C ATOM 392 O GLN A 27 0.011 -1.957 -10.850 1.00 0.00 O ATOM 393 CB GLN A 27 -1.862 -4.641 -9.985 1.00 0.00 C ATOM 394 CG GLN A 27 -1.585 -6.104 -10.293 1.00 0.00 C ATOM 395 CD GLN A 27 -0.851 -6.295 -11.605 1.00 0.00 C ATOM 396 OE1 GLN A 27 0.359 -6.523 -11.626 1.00 0.00 O ATOM 397 NE2 GLN A 27 -1.580 -6.203 -12.711 1.00 0.00 N ATOM 0 H GLN A 27 -1.181 -4.508 -7.621 1.00 0.00 H new ATOM 0 HA GLN A 27 0.261 -4.300 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.620 -4.580 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.279 -4.164 -10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.995 -6.536 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.528 -6.649 -10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.580 -6.013 -12.648 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.140 -6.323 -13.623 1.00 0.00 H new ATOM 406 N ILE A 28 -1.664 -1.681 -9.373 1.00 0.00 N ATOM 407 CA ILE A 28 -1.871 -0.276 -9.704 1.00 0.00 C ATOM 408 C ILE A 28 -0.767 0.595 -9.115 1.00 0.00 C ATOM 409 O ILE A 28 -0.312 1.549 -9.746 1.00 0.00 O ATOM 410 CB ILE A 28 -3.234 0.228 -9.195 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.437 -0.174 -7.732 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.359 -0.320 -10.061 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.584 0.547 -7.061 1.00 0.00 C ATOM 0 H ILE A 28 -2.287 -2.040 -8.650 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.849 -0.201 -10.791 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.249 1.316 -9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.614 -1.248 -7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.520 0.025 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.316 0.045 -9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.220 0.011 -11.090 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.348 -1.409 -10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.669 0.213 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.400 1.621 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.511 0.328 -7.591 1.00 0.00 H new ATOM 425 N ARG A 29 -0.339 0.259 -7.903 1.00 0.00 N ATOM 426 CA ARG A 29 0.713 1.011 -7.229 1.00 0.00 C ATOM 427 C ARG A 29 1.855 0.090 -6.809 1.00 0.00 C ATOM 428 O ARG A 29 1.866 -0.464 -5.709 1.00 0.00 O ATOM 429 CB ARG A 29 0.148 1.732 -6.003 1.00 0.00 C ATOM 430 CG ARG A 29 -0.744 2.913 -6.349 1.00 0.00 C ATOM 431 CD ARG A 29 -2.140 2.459 -6.745 1.00 0.00 C ATOM 432 NE ARG A 29 -3.057 3.585 -6.903 1.00 0.00 N ATOM 433 CZ ARG A 29 -3.149 4.307 -8.014 1.00 0.00 C ATOM 434 NH1 ARG A 29 -2.385 4.023 -9.059 1.00 0.00 N ATOM 435 NH2 ARG A 29 -4.008 5.316 -8.081 1.00 0.00 N ATOM 0 H ARG A 29 -0.704 -0.529 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 29 1.103 1.750 -7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.421 1.021 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.975 2.081 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.808 3.585 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.299 3.479 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.088 1.900 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.529 1.778 -5.987 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.659 3.830 -6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.724 3.248 -9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.458 4.580 -9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.598 5.538 -7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.078 5.870 -8.934 1.00 0.00 H new ATOM 449 N PRO A 30 2.840 -0.077 -7.704 1.00 0.00 N ATOM 450 CA PRO A 30 4.005 -0.930 -7.449 1.00 0.00 C ATOM 451 C PRO A 30 4.933 -0.342 -6.391 1.00 0.00 C ATOM 452 O PRO A 30 5.066 0.876 -6.275 1.00 0.00 O ATOM 453 CB PRO A 30 4.709 -0.985 -8.807 1.00 0.00 C ATOM 454 CG PRO A 30 4.293 0.267 -9.499 1.00 0.00 C ATOM 455 CD PRO A 30 2.892 0.553 -9.033 1.00 0.00 C ATOM 0 HA PRO A 30 3.717 -1.908 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.792 -1.032 -8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.411 -1.868 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.962 1.091 -9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.327 0.144 -10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.698 1.624 -8.978 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.149 0.128 -9.708 1.00 0.00 H new ATOM 463 N GLY A 31 5.574 -1.216 -5.621 1.00 0.00 N ATOM 464 CA GLY A 31 6.483 -0.764 -4.583 1.00 0.00 C ATOM 465 C GLY A 31 5.774 0.010 -3.489 1.00 0.00 C ATOM 466 O GLY A 31 5.919 1.229 -3.387 1.00 0.00 O ATOM 0 H GLY A 31 5.480 -2.229 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.988 -1.626 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.254 -0.135 -5.028 1.00 0.00 H new ATOM 470 N LEU A 32 5.004 -0.698 -2.670 1.00 0.00 N ATOM 471 CA LEU A 32 4.268 -0.070 -1.579 1.00 0.00 C ATOM 472 C LEU A 32 4.924 -0.371 -0.235 1.00 0.00 C ATOM 473 O LEU A 32 5.666 -1.344 -0.101 1.00 0.00 O ATOM 474 CB LEU A 32 2.817 -0.554 -1.571 1.00 0.00 C ATOM 475 CG LEU A 32 1.939 -0.065 -2.724 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.859 -1.086 -3.042 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.319 1.283 -2.387 1.00 0.00 C ATOM 0 H LEU A 32 4.873 -1.707 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 32 4.284 1.008 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.819 -1.644 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.357 -0.243 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 32 2.566 0.057 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.244 -0.721 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.323 -2.030 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.234 -1.240 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.698 1.616 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.706 1.188 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.109 2.013 -2.210 1.00 0.00 H new ATOM 489 N GLN A 33 4.643 0.469 0.756 1.00 0.00 N ATOM 490 CA GLN A 33 5.205 0.291 2.090 1.00 0.00 C ATOM 491 C GLN A 33 4.128 0.437 3.159 1.00 0.00 C ATOM 492 O GLN A 33 3.567 1.517 3.345 1.00 0.00 O ATOM 493 CB GLN A 33 6.324 1.305 2.334 1.00 0.00 C ATOM 494 CG GLN A 33 5.824 2.726 2.537 1.00 0.00 C ATOM 495 CD GLN A 33 6.934 3.754 2.447 1.00 0.00 C ATOM 496 OE1 GLN A 33 8.059 3.510 2.885 1.00 0.00 O ATOM 497 NE2 GLN A 33 6.623 4.912 1.877 1.00 0.00 N ATOM 0 H GLN A 33 4.030 1.279 0.661 1.00 0.00 H new ATOM 0 HA GLN A 33 5.617 -0.716 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.894 1.000 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.010 1.288 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.065 2.950 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.342 2.802 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.678 5.071 1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.329 5.643 1.788 1.00 0.00 H new ATOM 506 N TYR A 34 3.843 -0.656 3.858 1.00 0.00 N ATOM 507 CA TYR A 34 2.830 -0.650 4.907 1.00 0.00 C ATOM 508 C TYR A 34 3.473 -0.529 6.285 1.00 0.00 C ATOM 509 O TYR A 34 4.463 -1.198 6.582 1.00 0.00 O ATOM 510 CB TYR A 34 1.984 -1.923 4.836 1.00 0.00 C ATOM 511 CG TYR A 34 1.465 -2.228 3.449 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.268 -2.864 2.510 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.172 -1.881 3.078 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.798 -3.145 1.242 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.307 -2.159 1.812 1.00 0.00 C ATOM 516 CZ TYR A 34 0.510 -2.791 0.898 1.00 0.00 C ATOM 517 OH TYR A 34 0.037 -3.068 -0.364 1.00 0.00 O ATOM 0 H TYR A 34 4.299 -1.557 3.717 1.00 0.00 H new ATOM 0 HA TYR A 34 2.186 0.215 4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.581 -2.766 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.139 -1.826 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.277 -3.143 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.470 -1.385 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.435 -3.639 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.315 -1.883 1.540 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.830 -3.519 -0.297 1.00 0.00 H new ATOM 527 N LYS A 35 2.903 0.330 7.123 1.00 0.00 N ATOM 528 CA LYS A 35 3.417 0.539 8.472 1.00 0.00 C ATOM 529 C LYS A 35 2.308 0.383 9.507 1.00 0.00 C ATOM 530 O LYS A 35 1.141 0.659 9.228 1.00 0.00 O ATOM 531 CB LYS A 35 4.047 1.929 8.589 1.00 0.00 C ATOM 532 CG LYS A 35 4.900 2.107 9.833 1.00 0.00 C ATOM 533 CD LYS A 35 6.339 1.684 9.588 1.00 0.00 C ATOM 534 CE LYS A 35 7.119 1.584 10.890 1.00 0.00 C ATOM 535 NZ LYS A 35 6.849 0.305 11.602 1.00 0.00 N ATOM 0 H LYS A 35 2.085 0.893 6.892 1.00 0.00 H new ATOM 0 HA LYS A 35 4.179 -0.216 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.661 2.116 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.256 2.679 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.875 3.151 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.481 1.519 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.355 0.721 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.823 2.403 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.186 1.665 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.856 2.422 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.399 0.276 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.835 0.239 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.124 -0.494 10.996 1.00 0.00 H new ATOM 549 N LEU A 36 2.681 -0.061 10.703 1.00 0.00 N ATOM 550 CA LEU A 36 1.717 -0.252 11.782 1.00 0.00 C ATOM 551 C LEU A 36 1.706 0.949 12.721 1.00 0.00 C ATOM 552 O LEU A 36 2.561 1.073 13.599 1.00 0.00 O ATOM 553 CB LEU A 36 2.046 -1.524 12.566 1.00 0.00 C ATOM 554 CG LEU A 36 0.902 -2.122 13.385 1.00 0.00 C ATOM 555 CD1 LEU A 36 -0.090 -2.833 12.477 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.443 -3.078 14.439 1.00 0.00 C ATOM 0 H LEU A 36 3.643 -0.295 10.950 1.00 0.00 H new ATOM 0 HA LEU A 36 0.726 -0.352 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.397 -2.280 11.863 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.874 -1.307 13.240 1.00 0.00 H new ATOM 0 HG LEU A 36 0.381 -1.310 13.893 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.897 -3.252 13.078 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.502 -2.122 11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.418 -3.635 11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.615 -3.494 15.012 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.989 -3.886 13.952 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.113 -2.540 15.109 1.00 0.00 H new ATOM 568 N LEU A 37 0.730 1.831 12.533 1.00 0.00 N ATOM 569 CA LEU A 37 0.605 3.023 13.365 1.00 0.00 C ATOM 570 C LEU A 37 0.750 2.672 14.843 1.00 0.00 C ATOM 571 O LEU A 37 1.570 3.255 15.552 1.00 0.00 O ATOM 572 CB LEU A 37 -0.744 3.701 13.120 1.00 0.00 C ATOM 573 CG LEU A 37 -0.949 4.304 11.730 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.355 4.869 11.595 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.089 5.383 11.458 1.00 0.00 C ATOM 0 H LEU A 37 0.014 1.743 11.812 1.00 0.00 H new ATOM 0 HA LEU A 37 1.405 3.712 13.093 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.533 2.970 13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.870 4.492 13.859 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.824 3.513 10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.482 5.294 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.083 4.072 11.745 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.508 5.646 12.343 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.072 5.801 10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.004 6.173 12.203 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.087 4.949 11.511 1.00 0.00 H new ATOM 587 N SER A 38 -0.051 1.715 15.300 1.00 0.00 N ATOM 588 CA SER A 38 -0.014 1.288 16.694 1.00 0.00 C ATOM 589 C SER A 38 -0.880 0.050 16.906 1.00 0.00 C ATOM 590 O SER A 38 -1.736 -0.269 16.082 1.00 0.00 O ATOM 591 CB SER A 38 -0.487 2.419 17.609 1.00 0.00 C ATOM 592 OG SER A 38 0.066 2.290 18.907 1.00 0.00 O ATOM 0 H SER A 38 -0.734 1.221 14.725 1.00 0.00 H new ATOM 0 HA SER A 38 1.017 1.036 16.944 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.201 3.380 17.182 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.575 2.410 17.671 1.00 0.00 H new ATOM 0 HG SER A 38 -0.250 3.026 19.472 1.00 0.00 H new ATOM 598 N GLN A 39 -0.650 -0.641 18.018 1.00 0.00 N ATOM 599 CA GLN A 39 -1.409 -1.844 18.339 1.00 0.00 C ATOM 600 C GLN A 39 -2.026 -1.744 19.730 1.00 0.00 C ATOM 601 O GLN A 39 -1.350 -1.386 20.695 1.00 0.00 O ATOM 602 CB GLN A 39 -0.509 -3.078 18.254 1.00 0.00 C ATOM 603 CG GLN A 39 -1.199 -4.365 18.678 1.00 0.00 C ATOM 604 CD GLN A 39 -1.093 -4.620 20.169 1.00 0.00 C ATOM 605 OE1 GLN A 39 -1.761 -3.969 20.971 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.249 -5.574 20.547 1.00 0.00 N ATOM 0 H GLN A 39 0.055 -0.389 18.711 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.215 -1.940 17.611 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.152 -3.187 17.230 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.368 -2.922 18.882 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.251 -4.319 18.395 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.760 -5.203 18.138 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.285 -6.089 19.847 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.135 -5.791 21.537 1.00 0.00 H new ATOM 615 N SER A 40 -3.312 -2.063 19.826 1.00 0.00 N ATOM 616 CA SER A 40 -4.021 -2.005 21.099 1.00 0.00 C ATOM 617 C SER A 40 -4.824 -3.281 21.333 1.00 0.00 C ATOM 618 O SER A 40 -5.049 -4.063 20.411 1.00 0.00 O ATOM 619 CB SER A 40 -4.951 -0.790 21.134 1.00 0.00 C ATOM 620 OG SER A 40 -5.127 -0.321 22.459 1.00 0.00 O ATOM 0 H SER A 40 -3.885 -2.364 19.038 1.00 0.00 H new ATOM 0 HA SER A 40 -3.282 -1.911 21.894 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.538 0.006 20.515 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.918 -1.056 20.707 1.00 0.00 H new ATOM 0 HG SER A 40 -5.724 0.456 22.454 1.00 0.00 H new ATOM 626 N GLY A 41 -5.254 -3.483 22.574 1.00 0.00 N ATOM 627 CA GLY A 41 -6.027 -4.665 22.908 1.00 0.00 C ATOM 628 C GLY A 41 -5.193 -5.729 23.595 1.00 0.00 C ATOM 629 O GLY A 41 -4.053 -5.491 23.996 1.00 0.00 O ATOM 0 H GLY A 41 -5.081 -2.849 23.354 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.856 -4.382 23.557 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.462 -5.080 21.999 1.00 0.00 H new ATOM 633 N PRO A 42 -5.765 -6.933 23.739 1.00 0.00 N ATOM 634 CA PRO A 42 -5.085 -8.061 24.383 1.00 0.00 C ATOM 635 C PRO A 42 -3.933 -8.600 23.541 1.00 0.00 C ATOM 636 O PRO A 42 -3.589 -8.031 22.505 1.00 0.00 O ATOM 637 CB PRO A 42 -6.189 -9.113 24.515 1.00 0.00 C ATOM 638 CG PRO A 42 -7.158 -8.783 23.433 1.00 0.00 C ATOM 639 CD PRO A 42 -7.120 -7.287 23.285 1.00 0.00 C ATOM 0 HA PRO A 42 -4.634 -7.776 25.333 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.791 -10.121 24.397 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.662 -9.070 25.496 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.883 -9.275 22.500 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.161 -9.124 23.690 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.291 -6.981 22.253 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.886 -6.804 23.891 1.00 0.00 H new ATOM 647 N VAL A 43 -3.342 -9.702 23.992 1.00 0.00 N ATOM 648 CA VAL A 43 -2.230 -10.319 23.279 1.00 0.00 C ATOM 649 C VAL A 43 -2.726 -11.368 22.290 1.00 0.00 C ATOM 650 O VAL A 43 -2.048 -11.683 21.311 1.00 0.00 O ATOM 651 CB VAL A 43 -1.235 -10.978 24.253 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.933 -12.033 25.097 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.064 -11.581 23.492 1.00 0.00 C ATOM 0 H VAL A 43 -3.615 -10.186 24.848 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.722 -9.523 22.736 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.847 -10.210 24.922 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.214 -12.487 25.779 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.734 -11.568 25.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.352 -12.801 24.446 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.629 -12.042 24.196 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.432 -12.336 22.797 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.451 -10.797 22.937 1.00 0.00 H new ATOM 663 N HIS A 44 -3.913 -11.906 22.552 1.00 0.00 N ATOM 664 CA HIS A 44 -4.501 -12.919 21.683 1.00 0.00 C ATOM 665 C HIS A 44 -5.395 -12.277 20.627 1.00 0.00 C ATOM 666 O HIS A 44 -5.530 -12.792 19.518 1.00 0.00 O ATOM 667 CB HIS A 44 -5.306 -13.923 22.509 1.00 0.00 C ATOM 668 CG HIS A 44 -6.689 -13.454 22.840 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.023 -12.891 24.053 1.00 0.00 N ATOM 670 CD2 HIS A 44 -7.827 -13.465 22.106 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.306 -12.577 24.053 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.817 -12.915 22.883 1.00 0.00 N ATOM 0 H HIS A 44 -4.486 -11.658 23.358 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.691 -13.443 21.176 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.371 -14.863 21.960 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.770 -14.131 23.435 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.936 -13.837 21.098 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.845 -12.122 24.870 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.789 -12.788 22.602 1.00 0.00 H new ATOM 681 N ALA A 45 -6.005 -11.150 20.981 1.00 0.00 N ATOM 682 CA ALA A 45 -6.885 -10.438 20.063 1.00 0.00 C ATOM 683 C ALA A 45 -6.435 -8.992 19.881 1.00 0.00 C ATOM 684 O ALA A 45 -7.208 -8.050 20.050 1.00 0.00 O ATOM 685 CB ALA A 45 -8.321 -10.486 20.565 1.00 0.00 C ATOM 0 H ALA A 45 -5.906 -10.711 21.896 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.833 -10.932 19.093 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.968 -9.950 19.870 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.647 -11.524 20.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.379 -10.018 21.548 1.00 0.00 H new ATOM 691 N PRO A 46 -5.153 -8.811 19.529 1.00 0.00 N ATOM 692 CA PRO A 46 -4.571 -7.483 19.316 1.00 0.00 C ATOM 693 C PRO A 46 -5.114 -6.806 18.063 1.00 0.00 C ATOM 694 O PRO A 46 -5.587 -7.471 17.141 1.00 0.00 O ATOM 695 CB PRO A 46 -3.076 -7.771 19.163 1.00 0.00 C ATOM 696 CG PRO A 46 -3.009 -9.179 18.679 1.00 0.00 C ATOM 697 CD PRO A 46 -4.174 -9.889 19.310 1.00 0.00 C ATOM 0 HA PRO A 46 -4.806 -6.800 20.132 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.611 -7.086 18.454 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.551 -7.653 20.111 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.069 -9.221 17.591 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.066 -9.646 18.965 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.572 -10.667 18.658 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.892 -10.371 20.246 1.00 0.00 H new ATOM 705 N VAL A 47 -5.043 -5.478 18.034 1.00 0.00 N ATOM 706 CA VAL A 47 -5.526 -4.711 16.892 1.00 0.00 C ATOM 707 C VAL A 47 -4.367 -4.104 16.109 1.00 0.00 C ATOM 708 O VAL A 47 -3.831 -3.060 16.481 1.00 0.00 O ATOM 709 CB VAL A 47 -6.478 -3.584 17.336 1.00 0.00 C ATOM 710 CG1 VAL A 47 -7.013 -2.831 16.127 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.617 -4.148 18.171 1.00 0.00 C ATOM 0 H VAL A 47 -4.656 -4.912 18.789 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.070 -5.405 16.251 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.919 -2.881 17.954 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.684 -2.039 16.459 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.182 -2.394 15.573 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.557 -3.520 15.481 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.280 -3.338 18.476 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.177 -4.872 17.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.211 -4.638 19.056 1.00 0.00 H new ATOM 721 N PHE A 48 -3.986 -4.764 15.021 1.00 0.00 N ATOM 722 CA PHE A 48 -2.890 -4.290 14.183 1.00 0.00 C ATOM 723 C PHE A 48 -3.375 -3.223 13.206 1.00 0.00 C ATOM 724 O PHE A 48 -3.975 -3.533 12.176 1.00 0.00 O ATOM 725 CB PHE A 48 -2.266 -5.456 13.414 1.00 0.00 C ATOM 726 CG PHE A 48 -1.358 -6.310 14.252 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.873 -7.328 15.038 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.011 -6.094 14.254 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.039 -8.114 15.811 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.850 -6.877 15.024 1.00 0.00 C ATOM 731 CZ PHE A 48 0.324 -7.889 15.803 1.00 0.00 C ATOM 0 H PHE A 48 -4.420 -5.629 14.698 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.135 -3.847 14.832 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.062 -6.079 13.005 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.703 -5.063 12.568 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.938 -7.509 15.047 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.427 -5.304 13.646 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.453 -8.904 16.421 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.915 -6.698 15.017 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.977 -8.503 16.405 1.00 0.00 H new ATOM 741 N THR A 49 -3.111 -1.963 13.537 1.00 0.00 N ATOM 742 CA THR A 49 -3.520 -0.849 12.691 1.00 0.00 C ATOM 743 C THR A 49 -2.453 -0.525 11.652 1.00 0.00 C ATOM 744 O THR A 49 -1.384 -0.014 11.986 1.00 0.00 O ATOM 745 CB THR A 49 -3.808 0.414 13.525 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.835 0.143 14.486 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.234 1.568 12.631 1.00 0.00 C ATOM 0 H THR A 49 -2.616 -1.689 14.385 1.00 0.00 H new ATOM 0 HA THR A 49 -4.434 -1.158 12.184 1.00 0.00 H new ATOM 0 HB THR A 49 -2.892 0.697 14.043 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.011 0.950 15.013 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.432 2.448 13.243 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.438 1.791 11.921 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.138 1.293 12.088 1.00 0.00 H new ATOM 755 N MET A 50 -2.749 -0.826 10.392 1.00 0.00 N ATOM 756 CA MET A 50 -1.814 -0.565 9.304 1.00 0.00 C ATOM 757 C MET A 50 -2.150 0.747 8.602 1.00 0.00 C ATOM 758 O MET A 50 -3.269 1.250 8.708 1.00 0.00 O ATOM 759 CB MET A 50 -1.836 -1.716 8.297 1.00 0.00 C ATOM 760 CG MET A 50 -0.833 -2.815 8.610 1.00 0.00 C ATOM 761 SD MET A 50 0.858 -2.354 8.187 1.00 0.00 S ATOM 762 CE MET A 50 1.785 -3.517 9.185 1.00 0.00 C ATOM 0 H MET A 50 -3.629 -1.251 10.099 1.00 0.00 H new ATOM 0 HA MET A 50 -0.814 -0.483 9.729 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.837 -2.146 8.270 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.632 -1.321 7.302 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.885 -3.057 9.672 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.107 -3.718 8.064 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.708 -3.048 9.527 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.188 -3.814 10.047 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.024 -4.398 8.589 1.00 0.00 H new ATOM 772 N SER A 51 -1.175 1.296 7.884 1.00 0.00 N ATOM 773 CA SER A 51 -1.367 2.551 7.168 1.00 0.00 C ATOM 774 C SER A 51 -0.510 2.593 5.906 1.00 0.00 C ATOM 775 O SER A 51 0.613 2.088 5.888 1.00 0.00 O ATOM 776 CB SER A 51 -1.023 3.737 8.072 1.00 0.00 C ATOM 777 OG SER A 51 0.289 3.616 8.593 1.00 0.00 O ATOM 0 H SER A 51 -0.244 0.891 7.783 1.00 0.00 H new ATOM 0 HA SER A 51 -2.415 2.618 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.110 4.666 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.739 3.794 8.891 1.00 0.00 H new ATOM 0 HG SER A 51 0.606 4.495 8.889 1.00 0.00 H new ATOM 783 N VAL A 52 -1.047 3.200 4.853 1.00 0.00 N ATOM 784 CA VAL A 52 -0.333 3.309 3.587 1.00 0.00 C ATOM 785 C VAL A 52 -0.605 4.652 2.917 1.00 0.00 C ATOM 786 O VAL A 52 -1.606 5.308 3.202 1.00 0.00 O ATOM 787 CB VAL A 52 -0.726 2.177 2.620 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.080 2.461 1.987 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.342 1.992 1.553 1.00 0.00 C ATOM 0 H VAL A 52 -1.975 3.624 4.852 1.00 0.00 H new ATOM 0 HA VAL A 52 0.730 3.228 3.816 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.804 1.250 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.341 1.650 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.837 2.538 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.033 3.399 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.047 1.188 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.455 2.917 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.290 1.738 2.027 1.00 0.00 H new ATOM 799 N ASP A 53 0.293 5.054 2.024 1.00 0.00 N ATOM 800 CA ASP A 53 0.150 6.318 1.312 1.00 0.00 C ATOM 801 C ASP A 53 -0.027 6.081 -0.185 1.00 0.00 C ATOM 802 O ASP A 53 0.868 5.563 -0.853 1.00 0.00 O ATOM 803 CB ASP A 53 1.369 7.208 1.558 1.00 0.00 C ATOM 804 CG ASP A 53 1.625 8.170 0.415 1.00 0.00 C ATOM 805 OD1 ASP A 53 0.647 8.747 -0.106 1.00 0.00 O ATOM 806 OD2 ASP A 53 2.803 8.346 0.041 1.00 0.00 O ATOM 0 H ASP A 53 1.128 4.523 1.776 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.740 6.821 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.222 7.773 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.249 6.581 1.705 1.00 0.00 H new ATOM 811 N VAL A 54 -1.189 6.462 -0.705 1.00 0.00 N ATOM 812 CA VAL A 54 -1.485 6.292 -2.123 1.00 0.00 C ATOM 813 C VAL A 54 -2.156 7.534 -2.698 1.00 0.00 C ATOM 814 O VAL A 54 -3.110 8.059 -2.123 1.00 0.00 O ATOM 815 CB VAL A 54 -2.395 5.072 -2.364 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.886 5.048 -3.803 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.661 3.785 -2.021 1.00 0.00 C ATOM 0 H VAL A 54 -1.941 6.891 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.532 6.131 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.264 5.153 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.527 4.180 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.451 5.957 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.032 4.991 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.318 2.933 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.774 3.694 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.364 3.804 -0.972 1.00 0.00 H new ATOM 827 N ASP A 55 -1.652 7.999 -3.836 1.00 0.00 N ATOM 828 CA ASP A 55 -2.203 9.179 -4.490 1.00 0.00 C ATOM 829 C ASP A 55 -2.424 10.305 -3.485 1.00 0.00 C ATOM 830 O ASP A 55 -3.518 10.860 -3.390 1.00 0.00 O ATOM 831 CB ASP A 55 -3.521 8.834 -5.186 1.00 0.00 C ATOM 832 CG ASP A 55 -3.912 9.864 -6.228 1.00 0.00 C ATOM 833 OD1 ASP A 55 -3.005 10.428 -6.875 1.00 0.00 O ATOM 834 OD2 ASP A 55 -5.126 10.105 -6.396 1.00 0.00 O ATOM 0 H ASP A 55 -0.863 7.576 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.485 9.519 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.433 7.857 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.313 8.757 -4.441 1.00 0.00 H new ATOM 839 N GLY A 56 -1.377 10.637 -2.735 1.00 0.00 N ATOM 840 CA GLY A 56 -1.478 11.693 -1.746 1.00 0.00 C ATOM 841 C GLY A 56 -2.586 11.443 -0.741 1.00 0.00 C ATOM 842 O GLY A 56 -3.094 12.377 -0.120 1.00 0.00 O ATOM 0 H GLY A 56 -0.461 10.193 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.528 11.785 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.657 12.643 -2.250 1.00 0.00 H new ATOM 846 N THR A 57 -2.963 10.179 -0.581 1.00 0.00 N ATOM 847 CA THR A 57 -4.019 9.809 0.353 1.00 0.00 C ATOM 848 C THR A 57 -3.540 8.741 1.330 1.00 0.00 C ATOM 849 O THR A 57 -3.183 7.633 0.930 1.00 0.00 O ATOM 850 CB THR A 57 -5.266 9.288 -0.387 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.430 9.990 -1.625 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.513 9.459 0.467 1.00 0.00 C ATOM 0 H THR A 57 -2.553 9.394 -1.086 1.00 0.00 H new ATOM 0 HA THR A 57 -4.283 10.711 0.905 1.00 0.00 H new ATOM 0 HB THR A 57 -5.125 8.226 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.702 9.750 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.380 9.084 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.397 8.900 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.656 10.515 0.695 1.00 0.00 H new ATOM 860 N THR A 58 -3.534 9.082 2.615 1.00 0.00 N ATOM 861 CA THR A 58 -3.099 8.153 3.650 1.00 0.00 C ATOM 862 C THR A 58 -4.263 7.313 4.161 1.00 0.00 C ATOM 863 O THR A 58 -5.192 7.833 4.780 1.00 0.00 O ATOM 864 CB THR A 58 -2.456 8.896 4.837 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.377 9.716 4.376 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.943 7.912 5.877 1.00 0.00 C ATOM 0 H THR A 58 -3.826 9.995 2.964 1.00 0.00 H new ATOM 0 HA THR A 58 -2.356 7.498 3.195 1.00 0.00 H new ATOM 0 HB THR A 58 -3.217 9.525 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.975 10.186 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.493 8.460 6.705 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.772 7.309 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.195 7.261 5.424 1.00 0.00 H new ATOM 874 N TYR A 59 -4.208 6.012 3.898 1.00 0.00 N ATOM 875 CA TYR A 59 -5.260 5.100 4.331 1.00 0.00 C ATOM 876 C TYR A 59 -4.844 4.345 5.589 1.00 0.00 C ATOM 877 O TYR A 59 -3.662 4.080 5.804 1.00 0.00 O ATOM 878 CB TYR A 59 -5.595 4.109 3.215 1.00 0.00 C ATOM 879 CG TYR A 59 -6.155 4.762 1.972 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.313 5.265 0.988 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.526 4.875 1.781 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.820 5.864 -0.149 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.043 5.471 0.646 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.186 5.964 -0.315 1.00 0.00 C ATOM 885 OH TYR A 59 -7.695 6.558 -1.447 1.00 0.00 O ATOM 0 H TYR A 59 -3.446 5.565 3.387 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.146 5.691 4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.694 3.556 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.316 3.383 3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.243 5.186 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.200 4.491 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.151 6.252 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.112 5.550 0.513 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.076 6.421 -2.195 1.00 0.00 H new ATOM 895 N GLU A 60 -5.825 4.002 6.418 1.00 0.00 N ATOM 896 CA GLU A 60 -5.561 3.278 7.656 1.00 0.00 C ATOM 897 C GLU A 60 -6.682 2.288 7.957 1.00 0.00 C ATOM 898 O GLU A 60 -7.856 2.655 7.994 1.00 0.00 O ATOM 899 CB GLU A 60 -5.403 4.256 8.821 1.00 0.00 C ATOM 900 CG GLU A 60 -4.591 5.492 8.473 1.00 0.00 C ATOM 901 CD GLU A 60 -5.443 6.608 7.900 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.536 6.311 7.375 1.00 0.00 O ATOM 903 OE2 GLU A 60 -5.015 7.779 7.977 1.00 0.00 O ATOM 0 H GLU A 60 -6.809 4.214 6.255 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.632 2.721 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.391 4.565 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.925 3.741 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.082 5.851 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.818 5.223 7.753 1.00 0.00 H new ATOM 910 N ALA A 61 -6.311 1.029 8.170 1.00 0.00 N ATOM 911 CA ALA A 61 -7.284 -0.014 8.469 1.00 0.00 C ATOM 912 C ALA A 61 -6.778 -0.938 9.571 1.00 0.00 C ATOM 913 O ALA A 61 -5.649 -1.427 9.514 1.00 0.00 O ATOM 914 CB ALA A 61 -7.605 -0.812 7.214 1.00 0.00 C ATOM 0 H ALA A 61 -5.343 0.707 8.141 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.196 0.466 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.333 -1.588 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.018 -0.147 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.694 -1.274 6.834 1.00 0.00 H new ATOM 920 N SER A 62 -7.618 -1.173 10.573 1.00 0.00 N ATOM 921 CA SER A 62 -7.253 -2.035 11.691 1.00 0.00 C ATOM 922 C SER A 62 -7.795 -3.446 11.488 1.00 0.00 C ATOM 923 O SER A 62 -8.964 -3.633 11.153 1.00 0.00 O ATOM 924 CB SER A 62 -7.785 -1.456 13.004 1.00 0.00 C ATOM 925 OG SER A 62 -9.167 -1.159 12.907 1.00 0.00 O ATOM 0 H SER A 62 -8.557 -0.778 10.634 1.00 0.00 H new ATOM 0 HA SER A 62 -6.165 -2.086 11.739 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.619 -2.168 13.813 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.232 -0.551 13.257 1.00 0.00 H new ATOM 0 HG SER A 62 -9.576 -1.725 12.219 1.00 0.00 H new ATOM 931 N GLY A 63 -6.934 -4.439 11.694 1.00 0.00 N ATOM 932 CA GLY A 63 -7.344 -5.822 11.528 1.00 0.00 C ATOM 933 C GLY A 63 -6.897 -6.700 12.680 1.00 0.00 C ATOM 934 O GLY A 63 -6.140 -6.277 13.554 1.00 0.00 O ATOM 0 H GLY A 63 -5.961 -4.311 11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.429 -5.868 11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.932 -6.211 10.597 1.00 0.00 H new ATOM 938 N PRO A 64 -7.373 -7.954 12.692 1.00 0.00 N ATOM 939 CA PRO A 64 -7.032 -8.920 13.741 1.00 0.00 C ATOM 940 C PRO A 64 -5.577 -9.369 13.665 1.00 0.00 C ATOM 941 O PRO A 64 -5.075 -10.034 14.571 1.00 0.00 O ATOM 942 CB PRO A 64 -7.970 -10.096 13.458 1.00 0.00 C ATOM 943 CG PRO A 64 -8.277 -9.995 12.003 1.00 0.00 C ATOM 944 CD PRO A 64 -8.280 -8.526 11.683 1.00 0.00 C ATOM 0 HA PRO A 64 -7.146 -8.496 14.739 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.495 -11.047 13.697 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.877 -10.032 14.059 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.531 -10.523 11.409 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.243 -10.446 11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.926 -8.335 10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.281 -8.101 11.756 1.00 0.00 H new ATOM 952 N SER A 65 -4.905 -9.000 12.580 1.00 0.00 N ATOM 953 CA SER A 65 -3.507 -9.368 12.385 1.00 0.00 C ATOM 954 C SER A 65 -2.858 -8.489 11.319 1.00 0.00 C ATOM 955 O SER A 65 -3.544 -7.843 10.528 1.00 0.00 O ATOM 956 CB SER A 65 -3.396 -10.840 11.985 1.00 0.00 C ATOM 957 OG SER A 65 -3.619 -11.689 13.098 1.00 0.00 O ATOM 0 H SER A 65 -5.305 -8.447 11.822 1.00 0.00 H new ATOM 0 HA SER A 65 -2.981 -9.215 13.328 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.121 -11.063 11.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.408 -11.033 11.568 1.00 0.00 H new ATOM 0 HG SER A 65 -3.852 -11.148 13.881 1.00 0.00 H new ATOM 963 N LYS A 66 -1.529 -8.472 11.305 1.00 0.00 N ATOM 964 CA LYS A 66 -0.784 -7.675 10.337 1.00 0.00 C ATOM 965 C LYS A 66 -1.129 -8.090 8.911 1.00 0.00 C ATOM 966 O LYS A 66 -1.278 -7.247 8.026 1.00 0.00 O ATOM 967 CB LYS A 66 0.720 -7.823 10.574 1.00 0.00 C ATOM 968 CG LYS A 66 1.535 -6.648 10.062 1.00 0.00 C ATOM 969 CD LYS A 66 2.977 -6.722 10.535 1.00 0.00 C ATOM 970 CE LYS A 66 3.077 -6.581 12.046 1.00 0.00 C ATOM 971 NZ LYS A 66 4.486 -6.409 12.496 1.00 0.00 N ATOM 0 H LYS A 66 -0.946 -9.001 11.953 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.065 -6.630 10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.901 -7.942 11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.068 -8.735 10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.509 -6.633 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.086 -5.716 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.413 -7.672 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.559 -5.935 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.485 -5.725 12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.649 -7.463 12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.511 -6.316 13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.046 -7.237 12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.887 -5.553 12.062 1.00 0.00 H new ATOM 985 N LYS A 67 -1.255 -9.395 8.693 1.00 0.00 N ATOM 986 CA LYS A 67 -1.585 -9.923 7.375 1.00 0.00 C ATOM 987 C LYS A 67 -2.908 -9.352 6.875 1.00 0.00 C ATOM 988 O LYS A 67 -3.024 -8.945 5.718 1.00 0.00 O ATOM 989 CB LYS A 67 -1.662 -11.451 7.420 1.00 0.00 C ATOM 990 CG LYS A 67 -2.677 -11.980 8.418 1.00 0.00 C ATOM 991 CD LYS A 67 -2.416 -13.438 8.759 1.00 0.00 C ATOM 992 CE LYS A 67 -3.698 -14.158 9.148 1.00 0.00 C ATOM 993 NZ LYS A 67 -3.979 -14.040 10.606 1.00 0.00 N ATOM 0 H LYS A 67 -1.133 -10.107 9.413 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.797 -9.625 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.914 -11.823 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.678 -11.849 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.641 -11.381 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.681 -11.876 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.963 -13.937 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.700 -13.498 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.533 -13.744 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.620 -15.211 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.404 -14.924 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.091 -13.861 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.638 -13.252 10.770 1.00 0.00 H new ATOM 1007 N THR A 68 -3.905 -9.322 7.755 1.00 0.00 N ATOM 1008 CA THR A 68 -5.219 -8.800 7.403 1.00 0.00 C ATOM 1009 C THR A 68 -5.176 -7.289 7.206 1.00 0.00 C ATOM 1010 O THR A 68 -5.479 -6.786 6.124 1.00 0.00 O ATOM 1011 CB THR A 68 -6.265 -9.136 8.483 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.659 -9.096 9.780 1.00 0.00 O ATOM 1013 CG2 THR A 68 -6.869 -10.511 8.242 1.00 0.00 C ATOM 0 H THR A 68 -3.827 -9.653 8.716 1.00 0.00 H new ATOM 0 HA THR A 68 -5.508 -9.278 6.467 1.00 0.00 H new ATOM 0 HB THR A 68 -7.061 -8.393 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.867 -8.519 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.605 -10.726 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.354 -10.529 7.266 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.082 -11.264 8.270 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.798 -6.571 8.258 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.712 -5.117 8.199 1.00 0.00 C ATOM 1023 C ALA A 69 -4.221 -4.651 6.832 1.00 0.00 C ATOM 1024 O ALA A 69 -4.947 -3.983 6.095 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.796 -4.597 9.296 1.00 0.00 C ATOM 0 H ALA A 69 -4.546 -6.972 9.161 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.712 -4.712 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.741 -3.510 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.190 -4.890 10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.799 -5.017 9.167 1.00 0.00 H new ATOM 1031 N LYS A 70 -2.985 -5.006 6.500 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.396 -4.625 5.222 1.00 0.00 C ATOM 1033 C LYS A 70 -3.396 -4.810 4.085 1.00 0.00 C ATOM 1034 O LYS A 70 -3.471 -3.989 3.171 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.139 -5.454 4.949 1.00 0.00 C ATOM 1036 CG LYS A 70 0.134 -4.822 5.486 1.00 0.00 C ATOM 1037 CD LYS A 70 1.179 -5.873 5.821 1.00 0.00 C ATOM 1038 CE LYS A 70 1.860 -6.402 4.568 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.230 -6.912 4.854 1.00 0.00 N ATOM 0 H LYS A 70 -2.371 -5.558 7.099 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.124 -3.571 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.261 -6.441 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.037 -5.600 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.537 -4.129 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.096 -4.239 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.926 -5.445 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.708 -6.698 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.257 -7.202 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.916 -5.609 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.660 -7.263 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.813 -6.143 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.175 -7.686 5.546 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.163 -5.893 4.149 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.161 -6.185 3.125 1.00 0.00 C ATOM 1055 C LEU A 71 -6.352 -5.239 3.240 1.00 0.00 C ATOM 1056 O LEU A 71 -6.823 -4.694 2.241 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.633 -7.635 3.245 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.671 -8.090 2.218 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.045 -8.194 0.836 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.282 -9.421 2.631 1.00 0.00 C ATOM 0 H LEU A 71 -4.113 -6.583 4.898 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.698 -6.039 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.763 -8.287 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.050 -7.779 4.242 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.466 -7.345 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.799 -8.519 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.657 -7.220 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.230 -8.918 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.018 -9.729 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.498 -10.175 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.768 -9.313 3.601 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.833 -5.047 4.464 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.968 -4.165 4.710 1.00 0.00 C ATOM 1074 C HIS A 72 -7.700 -2.769 4.155 1.00 0.00 C ATOM 1075 O HIS A 72 -8.558 -2.174 3.501 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.263 -4.083 6.208 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.744 -5.373 6.795 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.490 -5.442 7.952 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -8.582 -6.651 6.377 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -9.766 -6.705 8.222 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.226 -7.459 7.281 1.00 0.00 N ATOM 0 H HIS A 72 -6.454 -5.490 5.301 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.837 -4.580 4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.360 -3.770 6.731 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.014 -3.312 6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.046 -6.974 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.336 -7.061 9.068 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.279 -8.477 7.234 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.505 -2.251 4.420 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.125 -0.925 3.947 1.00 0.00 C ATOM 1092 C VAL A 73 -6.297 -0.810 2.436 1.00 0.00 C ATOM 1093 O VAL A 73 -6.950 0.109 1.944 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.665 -0.597 4.312 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.180 0.618 3.535 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.529 -0.371 5.810 1.00 0.00 C ATOM 0 H VAL A 73 -5.783 -2.729 4.960 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.785 -0.212 4.440 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.040 -1.447 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.147 0.835 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.240 0.414 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.806 1.477 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.491 -0.140 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.165 0.461 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.833 -1.272 6.343 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.707 -1.751 1.706 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.797 -1.757 0.251 1.00 0.00 C ATOM 1108 C ALA A 74 -7.246 -1.642 -0.210 1.00 0.00 C ATOM 1109 O ALA A 74 -7.552 -0.916 -1.156 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.160 -3.019 -0.312 1.00 0.00 C ATOM 0 H ALA A 74 -5.162 -2.519 2.098 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.254 -0.890 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.234 -3.010 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.110 -3.058 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.678 -3.894 0.080 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.136 -2.363 0.465 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.553 -2.342 0.125 1.00 0.00 C ATOM 1118 C VAL A 75 -10.096 -0.917 0.120 1.00 0.00 C ATOM 1119 O VAL A 75 -10.867 -0.537 -0.761 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.379 -3.191 1.109 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.867 -3.019 0.845 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.979 -4.656 1.014 1.00 0.00 C ATOM 0 H VAL A 75 -7.900 -2.969 1.251 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.645 -2.766 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.172 -2.846 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.434 -3.627 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.140 -1.971 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.095 -3.336 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.573 -5.241 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.156 -5.016 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.922 -4.761 1.257 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.687 -0.132 1.111 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.130 1.253 1.222 1.00 0.00 C ATOM 1134 C LYS A 76 -9.582 2.094 0.074 1.00 0.00 C ATOM 1135 O LYS A 76 -10.283 2.942 -0.478 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.685 1.847 2.560 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.445 1.294 3.754 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.597 1.317 5.014 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.457 1.432 6.263 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.905 0.099 6.753 1.00 0.00 N ATOM 0 H LYS A 76 -9.049 -0.431 1.849 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.219 1.264 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.621 1.656 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.813 2.929 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.350 1.880 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.759 0.272 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.997 0.409 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.902 2.156 4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.893 1.936 7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.328 2.051 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.848 0.186 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.947 -0.568 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.233 -0.253 7.464 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.324 1.851 -0.283 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.682 2.584 -1.368 1.00 0.00 C ATOM 1156 C VAL A 77 -8.432 2.391 -2.681 1.00 0.00 C ATOM 1157 O VAL A 77 -8.727 3.355 -3.388 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.219 2.142 -1.555 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.511 3.046 -2.553 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.490 2.134 -0.220 1.00 0.00 C ATOM 0 H VAL A 77 -7.730 1.152 0.163 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.703 3.639 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.213 1.127 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.478 2.718 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.021 2.996 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.526 4.073 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.457 1.819 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.505 3.136 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.985 1.441 0.461 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.740 1.139 -3.001 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.457 0.817 -4.230 1.00 0.00 C ATOM 1172 C LEU A 78 -10.853 1.433 -4.223 1.00 0.00 C ATOM 1173 O LEU A 78 -11.329 1.925 -5.246 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.557 -0.699 -4.404 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.241 -1.472 -4.320 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.505 -2.966 -4.204 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.370 -1.176 -5.532 1.00 0.00 C ATOM 0 H LEU A 78 -8.504 0.330 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.899 1.236 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.233 -1.088 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.015 -0.904 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.708 -1.147 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.556 -3.500 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.089 -3.164 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.059 -3.307 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.437 -1.735 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.897 -1.472 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.151 -0.109 -5.571 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.501 1.404 -3.063 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.841 1.960 -2.923 1.00 0.00 C ATOM 1191 C GLN A 79 -12.856 3.442 -3.286 1.00 0.00 C ATOM 1192 O GLN A 79 -13.809 3.933 -3.889 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.349 1.768 -1.493 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.940 0.391 -1.237 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.611 0.287 0.118 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.021 1.291 0.700 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.728 -0.934 0.628 1.00 0.00 N ATOM 0 H GLN A 79 -11.120 1.001 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.501 1.430 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.526 1.936 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.105 2.524 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.666 0.161 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.151 -0.358 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.374 -1.739 0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.172 -1.067 1.537 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.793 4.148 -2.913 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.684 5.572 -3.201 1.00 0.00 C ATOM 1208 C ALA A 80 -11.605 5.825 -4.703 1.00 0.00 C ATOM 1209 O ALA A 80 -12.309 6.683 -5.235 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.467 6.160 -2.501 1.00 0.00 C ATOM 0 H ALA A 80 -10.996 3.757 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.581 6.063 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.398 7.225 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.564 6.021 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.567 5.656 -2.852 1.00 0.00 H new ATOM 1216 N MET A 81 -10.745 5.072 -5.381 1.00 0.00 N ATOM 1217 CA MET A 81 -10.575 5.215 -6.822 1.00 0.00 C ATOM 1218 C MET A 81 -11.842 4.798 -7.562 1.00 0.00 C ATOM 1219 O MET A 81 -12.119 5.280 -8.659 1.00 0.00 O ATOM 1220 CB MET A 81 -9.390 4.376 -7.303 1.00 0.00 C ATOM 1221 CG MET A 81 -8.134 4.563 -6.468 1.00 0.00 C ATOM 1222 SD MET A 81 -6.731 3.625 -7.102 1.00 0.00 S ATOM 1223 CE MET A 81 -6.552 2.380 -5.828 1.00 0.00 C ATOM 0 H MET A 81 -10.155 4.357 -4.956 1.00 0.00 H new ATOM 0 HA MET A 81 -10.378 6.265 -7.037 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.672 3.323 -7.290 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.169 4.634 -8.339 1.00 0.00 H new ATOM 0 HG2 MET A 81 -7.875 5.622 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.336 4.257 -5.441 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.516 2.350 -5.492 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.200 2.625 -4.986 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.831 1.406 -6.229 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.608 3.897 -6.954 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.836 3.430 -7.571 1.00 0.00 C ATOM 1235 C GLY A 82 -13.690 2.052 -8.183 1.00 0.00 C ATOM 1236 O GLY A 82 -14.295 1.755 -9.214 1.00 0.00 O ATOM 0 H GLY A 82 -12.400 3.482 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.629 3.410 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.143 4.136 -8.343 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.883 1.207 -7.550 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.656 -0.146 -8.041 1.00 0.00 C ATOM 1242 C TYR A 83 -13.415 -1.167 -7.198 1.00 0.00 C ATOM 1243 O TYR A 83 -13.748 -0.927 -6.037 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.161 -0.471 -8.030 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.393 0.176 -9.161 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.715 -0.090 -10.486 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.346 1.052 -8.904 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -10.016 0.498 -11.523 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.642 1.645 -9.934 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.980 1.366 -11.241 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.281 1.954 -12.270 1.00 0.00 O ATOM 0 H TYR A 83 -12.375 1.436 -6.695 1.00 0.00 H new ATOM 0 HA TYR A 83 -13.026 -0.200 -9.065 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.734 -0.148 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.032 -1.552 -8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.525 -0.768 -10.709 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.078 1.273 -7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.278 0.280 -12.548 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.831 2.324 -9.716 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.586 2.538 -11.901 1.00 0.00 H new