USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=19 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 49 THR OG1 : rot 180:sc= 0.509 USER MOD Set 1.2: A 62 SER OG : rot 111:sc= -4.1! USER MOD Set 2.1: A 19 MET CE :methyl 171:sc= -0.291 (180deg=-0.42) USER MOD Set 2.2: A 20 ASN : amide:sc= -0.0433 K(o=-0.33,f=-0.86) USER MOD Single : A 23 MET CE :methyl -145:sc= -2.25 (180deg=-5.09!) USER MOD Single : A 26 ASN : amide:sc= 0.916 K(o=0.92,f=-0.0045) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -0.611 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= 0.247 X(o=0.25,f=-0.018) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.64! X(o=-2.6!,f=-2.7) USER MOD Single : A 50 MET CE :methyl 137:sc= -1.74 (180deg=-4.25!) USER MOD Single : A 51 SER OG : rot 17:sc= 0.115 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.163 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 4:sc= 0.724 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -1.66 F(o=-3!,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.07) USER MOD Single : A 79 GLN : amide:sc= -1.02 K(o=-1,f=-4.2!) USER MOD Single : A 81 MET CE :methyl -168:sc= -0.194 (180deg=-0.644) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.464 -13.169 -1.183 1.00 0.00 N ATOM 237 CA LEU A 18 -9.288 -12.036 -0.280 1.00 0.00 C ATOM 238 C LEU A 18 -7.988 -11.297 -0.580 1.00 0.00 C ATOM 239 O LEU A 18 -7.995 -10.099 -0.862 1.00 0.00 O ATOM 240 CB LEU A 18 -9.293 -12.513 1.174 1.00 0.00 C ATOM 241 CG LEU A 18 -10.457 -13.417 1.580 1.00 0.00 C ATOM 242 CD1 LEU A 18 -10.042 -14.346 2.710 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.663 -12.583 1.988 1.00 0.00 C ATOM 0 HA LEU A 18 -10.119 -11.348 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.362 -13.047 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.296 -11.637 1.823 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.736 -14.026 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.883 -14.982 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.209 -14.968 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.736 -13.755 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.482 -13.243 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.397 -11.948 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.975 -11.960 1.150 1.00 0.00 H new ATOM 255 N MET A 19 -6.875 -12.021 -0.521 1.00 0.00 N ATOM 256 CA MET A 19 -5.567 -11.434 -0.790 1.00 0.00 C ATOM 257 C MET A 19 -5.597 -10.604 -2.069 1.00 0.00 C ATOM 258 O MET A 19 -4.819 -9.664 -2.229 1.00 0.00 O ATOM 259 CB MET A 19 -4.506 -12.530 -0.904 1.00 0.00 C ATOM 260 CG MET A 19 -4.913 -13.678 -1.813 1.00 0.00 C ATOM 261 SD MET A 19 -4.575 -13.340 -3.552 1.00 0.00 S ATOM 262 CE MET A 19 -6.090 -13.922 -4.310 1.00 0.00 C ATOM 0 H MET A 19 -6.852 -13.014 -0.290 1.00 0.00 H new ATOM 0 HA MET A 19 -5.313 -10.778 0.042 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.581 -12.091 -1.278 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.293 -12.923 0.090 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.381 -14.581 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.977 -13.878 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.103 -13.637 -5.362 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.144 -15.008 -4.228 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.945 -13.476 -3.802 1.00 0.00 H new ATOM 272 N ASN A 20 -6.499 -10.958 -2.979 1.00 0.00 N ATOM 273 CA ASN A 20 -6.629 -10.246 -4.245 1.00 0.00 C ATOM 274 C ASN A 20 -6.346 -8.758 -4.063 1.00 0.00 C ATOM 275 O ASN A 20 -5.512 -8.184 -4.763 1.00 0.00 O ATOM 276 CB ASN A 20 -8.032 -10.443 -4.823 1.00 0.00 C ATOM 277 CG ASN A 20 -8.119 -11.658 -5.727 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.345 -11.797 -6.675 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.064 -12.545 -5.437 1.00 0.00 N ATOM 0 H ASN A 20 -7.151 -11.734 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.896 -10.655 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.747 -10.549 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.319 -9.554 -5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.170 -13.382 -6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.683 -12.389 -4.642 1.00 0.00 H new ATOM 286 N ALA A 21 -7.047 -8.139 -3.119 1.00 0.00 N ATOM 287 CA ALA A 21 -6.870 -6.719 -2.843 1.00 0.00 C ATOM 288 C ALA A 21 -5.393 -6.341 -2.835 1.00 0.00 C ATOM 289 O ALA A 21 -4.951 -5.506 -3.626 1.00 0.00 O ATOM 290 CB ALA A 21 -7.517 -6.354 -1.515 1.00 0.00 C ATOM 0 H ALA A 21 -7.743 -8.599 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.358 -6.157 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.377 -5.290 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.583 -6.578 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.055 -6.932 -0.714 1.00 0.00 H new ATOM 296 N LEU A 22 -4.633 -6.960 -1.938 1.00 0.00 N ATOM 297 CA LEU A 22 -3.204 -6.688 -1.827 1.00 0.00 C ATOM 298 C LEU A 22 -2.547 -6.658 -3.204 1.00 0.00 C ATOM 299 O LEU A 22 -1.882 -5.687 -3.563 1.00 0.00 O ATOM 300 CB LEU A 22 -2.531 -7.745 -0.951 1.00 0.00 C ATOM 301 CG LEU A 22 -2.500 -7.452 0.550 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.310 -8.737 1.341 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.397 -6.456 0.876 1.00 0.00 C ATOM 0 H LEU A 22 -4.983 -7.654 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.080 -5.709 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.043 -8.695 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.506 -7.875 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.456 -7.012 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.290 -8.509 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.134 -9.419 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.369 -9.206 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.390 -6.259 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.434 -6.869 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.576 -5.525 0.338 1.00 0.00 H new ATOM 315 N MET A 23 -2.741 -7.727 -3.969 1.00 0.00 N ATOM 316 CA MET A 23 -2.169 -7.821 -5.307 1.00 0.00 C ATOM 317 C MET A 23 -2.595 -6.634 -6.165 1.00 0.00 C ATOM 318 O MET A 23 -1.792 -6.077 -6.914 1.00 0.00 O ATOM 319 CB MET A 23 -2.597 -9.129 -5.977 1.00 0.00 C ATOM 320 CG MET A 23 -1.808 -10.340 -5.504 1.00 0.00 C ATOM 321 SD MET A 23 -1.725 -10.456 -3.707 1.00 0.00 S ATOM 322 CE MET A 23 -1.565 -12.227 -3.490 1.00 0.00 C ATOM 0 H MET A 23 -3.289 -8.539 -3.686 1.00 0.00 H new ATOM 0 HA MET A 23 -1.083 -7.807 -5.213 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.656 -9.297 -5.783 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.482 -9.030 -7.056 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.266 -11.245 -5.902 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.797 -10.291 -5.908 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.094 -12.532 -2.587 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.992 -12.739 -4.352 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.511 -12.489 -3.398 1.00 0.00 H new ATOM 332 N ARG A 24 -3.864 -6.253 -6.052 1.00 0.00 N ATOM 333 CA ARG A 24 -4.396 -5.133 -6.819 1.00 0.00 C ATOM 334 C ARG A 24 -3.623 -3.852 -6.518 1.00 0.00 C ATOM 335 O ARG A 24 -3.063 -3.227 -7.419 1.00 0.00 O ATOM 336 CB ARG A 24 -5.880 -4.932 -6.505 1.00 0.00 C ATOM 337 CG ARG A 24 -6.751 -6.114 -6.898 1.00 0.00 C ATOM 338 CD ARG A 24 -6.867 -6.241 -8.409 1.00 0.00 C ATOM 339 NE ARG A 24 -7.254 -7.589 -8.816 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.990 -8.099 -10.014 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.341 -7.377 -10.917 1.00 0.00 N ATOM 342 NH2 ARG A 24 -7.374 -9.335 -10.310 1.00 0.00 N ATOM 0 H ARG A 24 -4.542 -6.703 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.284 -5.364 -7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.995 -4.746 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.235 -4.041 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.330 -7.031 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.744 -5.996 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.602 -5.526 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.913 -5.983 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.754 -8.171 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.043 -6.428 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.140 -7.771 -11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.872 -9.894 -9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.171 -9.726 -11.230 1.00 0.00 H new ATOM 356 N LEU A 25 -3.599 -3.467 -5.247 1.00 0.00 N ATOM 357 CA LEU A 25 -2.895 -2.260 -4.827 1.00 0.00 C ATOM 358 C LEU A 25 -1.519 -2.177 -5.479 1.00 0.00 C ATOM 359 O LEU A 25 -1.139 -1.139 -6.020 1.00 0.00 O ATOM 360 CB LEU A 25 -2.753 -2.233 -3.304 1.00 0.00 C ATOM 361 CG LEU A 25 -2.599 -0.850 -2.669 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.894 -0.062 -2.785 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.178 -0.977 -1.212 1.00 0.00 C ATOM 0 H LEU A 25 -4.058 -3.973 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.480 -1.398 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.628 -2.715 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.887 -2.836 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.820 -0.309 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.765 0.919 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.153 0.059 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.693 -0.598 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.073 0.016 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.935 -1.537 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.224 -1.502 -1.153 1.00 0.00 H new ATOM 375 N ASN A 26 -0.777 -3.278 -5.425 1.00 0.00 N ATOM 376 CA ASN A 26 0.557 -3.331 -6.013 1.00 0.00 C ATOM 377 C ASN A 26 0.491 -3.168 -7.528 1.00 0.00 C ATOM 378 O ASN A 26 1.265 -2.412 -8.114 1.00 0.00 O ATOM 379 CB ASN A 26 1.241 -4.653 -5.660 1.00 0.00 C ATOM 380 CG ASN A 26 1.689 -4.704 -4.212 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.763 -4.211 -3.866 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.866 -5.303 -3.359 1.00 0.00 N ATOM 0 H ASN A 26 -1.077 -4.146 -4.980 1.00 0.00 H new ATOM 0 HA ASN A 26 1.140 -2.507 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.555 -5.477 -5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.104 -4.797 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.114 -5.369 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.014 -5.697 -3.691 1.00 0.00 H new ATOM 389 N GLN A 27 -0.439 -3.881 -8.155 1.00 0.00 N ATOM 390 CA GLN A 27 -0.605 -3.815 -9.602 1.00 0.00 C ATOM 391 C GLN A 27 -0.627 -2.368 -10.082 1.00 0.00 C ATOM 392 O GLN A 27 0.115 -1.994 -10.991 1.00 0.00 O ATOM 393 CB GLN A 27 -1.895 -4.523 -10.021 1.00 0.00 C ATOM 394 CG GLN A 27 -1.707 -6.002 -10.322 1.00 0.00 C ATOM 395 CD GLN A 27 -1.346 -6.260 -11.771 1.00 0.00 C ATOM 396 OE1 GLN A 27 -0.105 -5.958 -12.135 1.00 0.00 O flip ATOM 397 NE2 GLN A 27 -2.173 -6.727 -12.555 1.00 0.00 N flip ATOM 0 H GLN A 27 -1.089 -4.511 -7.684 1.00 0.00 H new ATOM 0 HA GLN A 27 0.244 -4.319 -10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.634 -4.413 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.300 -4.029 -10.904 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.923 -6.403 -9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.624 -6.538 -10.079 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.116 -6.944 -12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.915 -6.896 -13.527 1.00 0.00 H new ATOM 406 N ILE A 28 -1.482 -1.558 -9.466 1.00 0.00 N ATOM 407 CA ILE A 28 -1.599 -0.152 -9.831 1.00 0.00 C ATOM 408 C ILE A 28 -0.455 0.666 -9.242 1.00 0.00 C ATOM 409 O ILE A 28 0.066 1.577 -9.885 1.00 0.00 O ATOM 410 CB ILE A 28 -2.938 0.443 -9.356 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.136 0.181 -7.862 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.091 -0.140 -10.159 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.249 1.000 -7.247 1.00 0.00 C ATOM 0 H ILE A 28 -2.103 -1.852 -8.712 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.554 -0.104 -10.919 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.917 1.521 -9.517 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.349 -0.877 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.205 0.396 -7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.030 0.290 -9.812 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.954 0.093 -11.215 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.116 -1.222 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.332 0.762 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.028 2.061 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.190 0.768 -7.746 1.00 0.00 H new ATOM 425 N ARG A 29 -0.067 0.333 -8.015 1.00 0.00 N ATOM 426 CA ARG A 29 1.017 1.036 -7.339 1.00 0.00 C ATOM 427 C ARG A 29 2.098 0.060 -6.884 1.00 0.00 C ATOM 428 O ARG A 29 2.066 -0.465 -5.771 1.00 0.00 O ATOM 429 CB ARG A 29 0.477 1.813 -6.136 1.00 0.00 C ATOM 430 CG ARG A 29 -0.578 2.844 -6.501 1.00 0.00 C ATOM 431 CD ARG A 29 0.028 4.022 -7.247 1.00 0.00 C ATOM 432 NE ARG A 29 0.504 5.060 -6.337 1.00 0.00 N ATOM 433 CZ ARG A 29 1.415 5.967 -6.670 1.00 0.00 C ATOM 434 NH1 ARG A 29 1.947 5.964 -7.884 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.797 6.881 -5.786 1.00 0.00 N ATOM 0 H ARG A 29 -0.487 -0.419 -7.469 1.00 0.00 H new ATOM 0 HA ARG A 29 1.459 1.737 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.053 1.109 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.306 2.315 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.346 2.377 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.069 3.200 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.856 3.673 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.716 4.445 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 29 0.116 5.090 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.657 5.263 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.646 6.662 -8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.391 6.887 -4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.497 7.577 -6.042 1.00 0.00 H new ATOM 449 N PRO A 30 3.078 -0.190 -7.765 1.00 0.00 N ATOM 450 CA PRO A 30 4.187 -1.105 -7.476 1.00 0.00 C ATOM 451 C PRO A 30 5.140 -0.546 -6.425 1.00 0.00 C ATOM 452 O PRO A 30 5.350 0.664 -6.344 1.00 0.00 O ATOM 453 CB PRO A 30 4.897 -1.238 -8.826 1.00 0.00 C ATOM 454 CG PRO A 30 4.564 0.018 -9.555 1.00 0.00 C ATOM 455 CD PRO A 30 3.179 0.400 -9.110 1.00 0.00 C ATOM 0 HA PRO A 30 3.838 -2.053 -7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.974 -1.348 -8.698 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.550 -2.116 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.280 0.806 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.599 -0.136 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.049 1.482 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.417 0.003 -9.781 1.00 0.00 H new ATOM 463 N GLY A 31 5.716 -1.436 -5.623 1.00 0.00 N ATOM 464 CA GLY A 31 6.641 -1.011 -4.588 1.00 0.00 C ATOM 465 C GLY A 31 5.970 -0.172 -3.519 1.00 0.00 C ATOM 466 O GLY A 31 6.214 1.031 -3.419 1.00 0.00 O ATOM 0 H GLY A 31 5.559 -2.443 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.093 -1.889 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.450 -0.438 -5.041 1.00 0.00 H new ATOM 470 N LEU A 32 5.120 -0.806 -2.718 1.00 0.00 N ATOM 471 CA LEU A 32 4.410 -0.109 -1.651 1.00 0.00 C ATOM 472 C LEU A 32 5.041 -0.402 -0.294 1.00 0.00 C ATOM 473 O LEU A 32 5.782 -1.373 -0.141 1.00 0.00 O ATOM 474 CB LEU A 32 2.936 -0.520 -1.641 1.00 0.00 C ATOM 475 CG LEU A 32 2.092 -0.023 -2.815 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.924 -0.963 -3.068 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.595 1.391 -2.554 1.00 0.00 C ATOM 0 H LEU A 32 4.906 -1.801 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 32 4.482 0.962 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.883 -1.608 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.485 -0.159 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 32 2.718 -0.007 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.335 -0.593 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.302 -1.959 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.297 -1.012 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.996 1.728 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.985 1.401 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.447 2.058 -2.424 1.00 0.00 H new ATOM 489 N GLN A 33 4.741 0.442 0.687 1.00 0.00 N ATOM 490 CA GLN A 33 5.278 0.272 2.032 1.00 0.00 C ATOM 491 C GLN A 33 4.181 0.425 3.080 1.00 0.00 C ATOM 492 O GLN A 33 3.444 1.411 3.081 1.00 0.00 O ATOM 493 CB GLN A 33 6.393 1.287 2.291 1.00 0.00 C ATOM 494 CG GLN A 33 5.891 2.712 2.461 1.00 0.00 C ATOM 495 CD GLN A 33 7.011 3.695 2.738 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.043 4.337 3.789 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.937 3.820 1.795 1.00 0.00 N ATOM 0 H GLN A 33 4.129 1.250 0.576 1.00 0.00 H new ATOM 0 HA GLN A 33 5.688 -0.735 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.939 0.994 3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.101 1.256 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.360 3.016 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.173 2.745 3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.871 3.268 0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.714 4.468 1.926 1.00 0.00 H new ATOM 506 N TYR A 34 4.079 -0.555 3.970 1.00 0.00 N ATOM 507 CA TYR A 34 3.070 -0.530 5.022 1.00 0.00 C ATOM 508 C TYR A 34 3.718 -0.378 6.395 1.00 0.00 C ATOM 509 O TYR A 34 4.704 -1.046 6.708 1.00 0.00 O ATOM 510 CB TYR A 34 2.229 -1.808 4.982 1.00 0.00 C ATOM 511 CG TYR A 34 1.688 -2.133 3.608 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.478 -2.775 2.663 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.387 -1.797 3.255 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.989 -3.074 1.406 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.112 -2.093 2.001 1.00 0.00 C ATOM 516 CZ TYR A 34 0.693 -2.731 1.080 1.00 0.00 C ATOM 517 OH TYR A 34 0.200 -3.027 -0.170 1.00 0.00 O ATOM 0 H TYR A 34 4.683 -1.377 3.984 1.00 0.00 H new ATOM 0 HA TYR A 34 2.422 0.329 4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.836 -2.643 5.332 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.395 -1.707 5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.493 -3.045 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.245 -1.296 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.617 -3.573 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.126 -1.826 1.743 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.663 -3.482 -0.082 1.00 0.00 H new ATOM 527 N LYS A 35 3.156 0.506 7.213 1.00 0.00 N ATOM 528 CA LYS A 35 3.675 0.747 8.554 1.00 0.00 C ATOM 529 C LYS A 35 2.579 0.574 9.601 1.00 0.00 C ATOM 530 O LYS A 35 1.443 1.004 9.401 1.00 0.00 O ATOM 531 CB LYS A 35 4.267 2.155 8.648 1.00 0.00 C ATOM 532 CG LYS A 35 5.355 2.427 7.624 1.00 0.00 C ATOM 533 CD LYS A 35 6.685 1.826 8.049 1.00 0.00 C ATOM 534 CE LYS A 35 7.786 2.145 7.050 1.00 0.00 C ATOM 535 NZ LYS A 35 9.137 2.081 7.673 1.00 0.00 N ATOM 0 H LYS A 35 2.340 1.068 6.970 1.00 0.00 H new ATOM 0 HA LYS A 35 4.459 0.016 8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.468 2.885 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.676 2.302 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.060 2.014 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.468 3.503 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.961 2.210 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.582 0.745 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.736 1.442 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.624 3.140 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.859 2.305 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.194 2.769 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.303 1.124 8.045 1.00 0.00 H new ATOM 549 N LEU A 36 2.928 -0.057 10.716 1.00 0.00 N ATOM 550 CA LEU A 36 1.974 -0.286 11.796 1.00 0.00 C ATOM 551 C LEU A 36 1.862 0.943 12.693 1.00 0.00 C ATOM 552 O LEU A 36 2.740 1.207 13.516 1.00 0.00 O ATOM 553 CB LEU A 36 2.395 -1.500 12.626 1.00 0.00 C ATOM 554 CG LEU A 36 1.277 -2.209 13.392 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.342 -2.926 12.431 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.860 -3.187 14.402 1.00 0.00 C ATOM 0 H LEU A 36 3.864 -0.419 10.896 1.00 0.00 H new ATOM 0 HA LEU A 36 0.998 -0.479 11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.868 -2.223 11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.153 -1.181 13.341 1.00 0.00 H new ATOM 0 HG LEU A 36 0.701 -1.458 13.933 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.447 -3.424 12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.102 -2.202 11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.904 -3.666 11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.050 -3.682 14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.460 -3.933 13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.487 -2.647 15.111 1.00 0.00 H new ATOM 568 N LEU A 37 0.777 1.691 12.530 1.00 0.00 N ATOM 569 CA LEU A 37 0.548 2.892 13.326 1.00 0.00 C ATOM 570 C LEU A 37 0.685 2.592 14.815 1.00 0.00 C ATOM 571 O LEU A 37 1.441 3.255 15.525 1.00 0.00 O ATOM 572 CB LEU A 37 -0.841 3.463 13.036 1.00 0.00 C ATOM 573 CG LEU A 37 -1.001 4.193 11.701 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.464 4.515 11.441 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.162 5.462 11.683 1.00 0.00 C ATOM 0 H LEU A 37 0.041 1.487 11.854 1.00 0.00 H new ATOM 0 HA LEU A 37 1.302 3.629 13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.562 2.646 13.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.103 4.153 13.838 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.648 3.537 10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.558 5.034 10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.040 3.590 11.409 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.844 5.152 12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.288 5.968 10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.484 6.123 12.488 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.888 5.206 11.822 1.00 0.00 H new ATOM 587 N SER A 38 -0.048 1.586 15.282 1.00 0.00 N ATOM 588 CA SER A 38 -0.010 1.199 16.687 1.00 0.00 C ATOM 589 C SER A 38 -0.844 -0.056 16.928 1.00 0.00 C ATOM 590 O SER A 38 -1.656 -0.444 16.089 1.00 0.00 O ATOM 591 CB SER A 38 -0.520 2.341 17.567 1.00 0.00 C ATOM 592 OG SER A 38 -1.930 2.290 17.702 1.00 0.00 O ATOM 0 H SER A 38 -0.676 1.024 14.707 1.00 0.00 H new ATOM 0 HA SER A 38 1.025 0.982 16.950 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.055 2.282 18.551 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.227 3.297 17.133 1.00 0.00 H new ATOM 0 HG SER A 38 -2.231 3.029 18.270 1.00 0.00 H new ATOM 598 N GLN A 39 -0.636 -0.684 18.080 1.00 0.00 N ATOM 599 CA GLN A 39 -1.369 -1.895 18.432 1.00 0.00 C ATOM 600 C GLN A 39 -2.076 -1.733 19.773 1.00 0.00 C ATOM 601 O GLN A 39 -1.497 -1.229 20.735 1.00 0.00 O ATOM 602 CB GLN A 39 -0.419 -3.093 18.484 1.00 0.00 C ATOM 603 CG GLN A 39 -1.133 -4.432 18.581 1.00 0.00 C ATOM 604 CD GLN A 39 -0.292 -5.494 19.261 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.448 -5.757 20.454 1.00 0.00 O ATOM 606 NE2 GLN A 39 0.606 -6.113 18.504 1.00 0.00 N ATOM 0 H GLN A 39 0.033 -0.375 18.785 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.123 -2.070 17.664 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.207 -3.088 17.592 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.246 -2.982 19.341 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.064 -4.304 19.132 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.399 -4.771 17.580 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.702 -5.864 17.520 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.200 -6.838 18.907 1.00 0.00 H new ATOM 615 N SER A 40 -3.332 -2.164 19.830 1.00 0.00 N ATOM 616 CA SER A 40 -4.121 -2.063 21.052 1.00 0.00 C ATOM 617 C SER A 40 -4.864 -3.366 21.329 1.00 0.00 C ATOM 618 O SER A 40 -5.199 -4.110 20.408 1.00 0.00 O ATOM 619 CB SER A 40 -5.118 -0.907 20.947 1.00 0.00 C ATOM 620 OG SER A 40 -5.722 -0.869 19.666 1.00 0.00 O ATOM 0 H SER A 40 -3.825 -2.587 19.044 1.00 0.00 H new ATOM 0 HA SER A 40 -3.439 -1.871 21.880 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.887 -1.015 21.712 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.607 0.036 21.140 1.00 0.00 H new ATOM 0 HG SER A 40 -6.356 -0.123 19.625 1.00 0.00 H new ATOM 626 N GLY A 41 -5.118 -3.636 22.606 1.00 0.00 N ATOM 627 CA GLY A 41 -5.819 -4.849 22.983 1.00 0.00 C ATOM 628 C GLY A 41 -4.890 -5.904 23.551 1.00 0.00 C ATOM 629 O GLY A 41 -3.700 -5.665 23.761 1.00 0.00 O ATOM 0 H GLY A 41 -4.851 -3.036 23.386 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.584 -4.608 23.721 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.333 -5.254 22.111 1.00 0.00 H new ATOM 633 N PRO A 42 -5.435 -7.101 23.810 1.00 0.00 N ATOM 634 CA PRO A 42 -4.664 -8.219 24.363 1.00 0.00 C ATOM 635 C PRO A 42 -3.663 -8.783 23.361 1.00 0.00 C ATOM 636 O PRO A 42 -3.625 -8.365 22.203 1.00 0.00 O ATOM 637 CB PRO A 42 -5.736 -9.261 24.691 1.00 0.00 C ATOM 638 CG PRO A 42 -6.864 -8.948 23.769 1.00 0.00 C ATOM 639 CD PRO A 42 -6.846 -7.456 23.585 1.00 0.00 C ATOM 0 HA PRO A 42 -4.067 -7.917 25.223 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.365 -10.274 24.533 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.047 -9.194 25.734 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.742 -9.460 22.815 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.814 -9.278 24.189 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.178 -7.170 22.587 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.504 -6.956 24.295 1.00 0.00 H new ATOM 647 N VAL A 43 -2.853 -9.735 23.813 1.00 0.00 N ATOM 648 CA VAL A 43 -1.852 -10.358 22.955 1.00 0.00 C ATOM 649 C VAL A 43 -2.485 -11.396 22.035 1.00 0.00 C ATOM 650 O VAL A 43 -1.943 -11.716 20.977 1.00 0.00 O ATOM 651 CB VAL A 43 -0.743 -11.032 23.785 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.308 -12.194 24.589 1.00 0.00 C ATOM 653 CG2 VAL A 43 0.389 -11.499 22.882 1.00 0.00 C ATOM 0 H VAL A 43 -2.870 -10.092 24.768 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.413 -9.563 22.352 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.341 -10.299 24.484 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.510 -12.657 25.169 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.081 -11.827 25.264 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.738 -12.931 23.911 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.164 -11.973 23.485 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.004 -12.216 22.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.812 -10.643 22.356 1.00 0.00 H new ATOM 663 N HIS A 44 -3.636 -11.919 22.446 1.00 0.00 N ATOM 664 CA HIS A 44 -4.345 -12.921 21.658 1.00 0.00 C ATOM 665 C HIS A 44 -5.292 -12.258 20.662 1.00 0.00 C ATOM 666 O HIS A 44 -5.476 -12.745 19.547 1.00 0.00 O ATOM 667 CB HIS A 44 -5.127 -13.862 22.574 1.00 0.00 C ATOM 668 CG HIS A 44 -6.057 -13.152 23.509 1.00 0.00 C ATOM 669 ND1 HIS A 44 -5.683 -12.730 24.767 1.00 0.00 N ATOM 670 CD2 HIS A 44 -7.353 -12.789 23.362 1.00 0.00 C ATOM 671 CE1 HIS A 44 -6.708 -12.139 25.354 1.00 0.00 C ATOM 672 NE2 HIS A 44 -7.734 -12.161 24.522 1.00 0.00 N ATOM 0 H HIS A 44 -4.097 -11.666 23.320 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.607 -13.499 21.102 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.701 -14.557 21.962 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.423 -14.457 23.157 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.972 -12.961 22.494 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.707 -11.711 26.345 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.659 -11.774 24.711 1.00 0.00 H new ATOM 681 N ALA A 45 -5.892 -11.146 21.074 1.00 0.00 N ATOM 682 CA ALA A 45 -6.819 -10.416 20.218 1.00 0.00 C ATOM 683 C ALA A 45 -6.366 -8.973 20.022 1.00 0.00 C ATOM 684 O ALA A 45 -7.141 -8.028 20.171 1.00 0.00 O ATOM 685 CB ALA A 45 -8.222 -10.456 20.805 1.00 0.00 C ATOM 0 H ALA A 45 -5.753 -10.731 21.995 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.831 -10.901 19.242 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.904 -9.907 20.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.553 -11.491 20.886 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.216 -9.998 21.794 1.00 0.00 H new ATOM 691 N PRO A 46 -5.081 -8.797 19.680 1.00 0.00 N ATOM 692 CA PRO A 46 -4.496 -7.472 19.457 1.00 0.00 C ATOM 693 C PRO A 46 -5.026 -6.810 18.189 1.00 0.00 C ATOM 694 O PRO A 46 -5.448 -7.489 17.253 1.00 0.00 O ATOM 695 CB PRO A 46 -2.999 -7.763 19.323 1.00 0.00 C ATOM 696 CG PRO A 46 -2.928 -9.176 18.857 1.00 0.00 C ATOM 697 CD PRO A 46 -4.100 -9.878 19.485 1.00 0.00 C ATOM 0 HA PRO A 46 -4.739 -6.779 20.262 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.527 -7.087 18.610 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.484 -7.634 20.275 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.977 -9.231 17.769 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.988 -9.639 19.158 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.491 -10.664 18.839 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.827 -10.349 20.430 1.00 0.00 H new ATOM 705 N VAL A 47 -4.999 -5.482 18.165 1.00 0.00 N ATOM 706 CA VAL A 47 -5.476 -4.728 17.011 1.00 0.00 C ATOM 707 C VAL A 47 -4.316 -4.094 16.252 1.00 0.00 C ATOM 708 O VAL A 47 -3.826 -3.027 16.622 1.00 0.00 O ATOM 709 CB VAL A 47 -6.465 -3.624 17.431 1.00 0.00 C ATOM 710 CG1 VAL A 47 -7.074 -2.959 16.206 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.548 -4.195 18.333 1.00 0.00 C ATOM 0 H VAL A 47 -4.652 -4.905 18.931 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.989 -5.436 16.360 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.920 -2.865 17.993 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.770 -2.182 16.522 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.283 -2.514 15.602 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.606 -3.704 15.614 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.238 -3.402 18.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.093 -4.974 17.799 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.091 -4.619 19.227 1.00 0.00 H new ATOM 721 N PHE A 48 -3.880 -4.759 15.186 1.00 0.00 N ATOM 722 CA PHE A 48 -2.776 -4.261 14.374 1.00 0.00 C ATOM 723 C PHE A 48 -3.254 -3.174 13.415 1.00 0.00 C ATOM 724 O PHE A 48 -3.953 -3.453 12.440 1.00 0.00 O ATOM 725 CB PHE A 48 -2.137 -5.407 13.586 1.00 0.00 C ATOM 726 CG PHE A 48 -1.314 -6.332 14.436 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.900 -7.416 15.071 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.045 -6.119 14.600 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.145 -8.268 15.854 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.805 -6.969 15.382 1.00 0.00 C ATOM 731 CZ PHE A 48 0.209 -8.045 16.009 1.00 0.00 C ATOM 0 H PHE A 48 -4.274 -5.643 14.865 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.031 -3.830 15.043 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.922 -5.981 13.093 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.506 -4.990 12.801 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.958 -7.597 14.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.516 -5.279 14.111 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.614 -9.108 16.345 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.864 -6.791 15.502 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.801 -8.711 16.620 1.00 0.00 H new ATOM 741 N THR A 49 -2.872 -1.933 13.699 1.00 0.00 N ATOM 742 CA THR A 49 -3.262 -0.804 12.864 1.00 0.00 C ATOM 743 C THR A 49 -2.232 -0.547 11.771 1.00 0.00 C ATOM 744 O THR A 49 -1.064 -0.283 12.055 1.00 0.00 O ATOM 745 CB THR A 49 -3.437 0.478 13.700 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.505 0.309 14.639 1.00 0.00 O ATOM 747 CG2 THR A 49 -3.729 1.673 12.804 1.00 0.00 C ATOM 0 H THR A 49 -2.293 -1.684 14.501 1.00 0.00 H new ATOM 0 HA THR A 49 -4.216 -1.064 12.406 1.00 0.00 H new ATOM 0 HB THR A 49 -2.507 0.664 14.237 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.609 1.128 15.167 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.849 2.567 13.417 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.902 1.818 12.109 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.646 1.492 12.243 1.00 0.00 H new ATOM 755 N MET A 50 -2.672 -0.625 10.519 1.00 0.00 N ATOM 756 CA MET A 50 -1.787 -0.398 9.382 1.00 0.00 C ATOM 757 C MET A 50 -2.066 0.955 8.737 1.00 0.00 C ATOM 758 O MET A 50 -3.071 1.600 9.035 1.00 0.00 O ATOM 759 CB MET A 50 -1.954 -1.513 8.349 1.00 0.00 C ATOM 760 CG MET A 50 -1.048 -2.710 8.593 1.00 0.00 C ATOM 761 SD MET A 50 0.648 -2.419 8.054 1.00 0.00 S ATOM 762 CE MET A 50 1.562 -3.263 9.343 1.00 0.00 C ATOM 0 H MET A 50 -3.636 -0.844 10.266 1.00 0.00 H new ATOM 0 HA MET A 50 -0.760 -0.401 9.747 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.992 -1.847 8.352 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.751 -1.111 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.051 -2.952 9.656 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.448 -3.577 8.067 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.376 -3.835 8.897 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.971 -2.530 10.038 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.895 -3.939 9.879 1.00 0.00 H new ATOM 772 N SER A 51 -1.170 1.380 7.852 1.00 0.00 N ATOM 773 CA SER A 51 -1.318 2.659 7.167 1.00 0.00 C ATOM 774 C SER A 51 -0.436 2.716 5.924 1.00 0.00 C ATOM 775 O SER A 51 0.752 2.397 5.977 1.00 0.00 O ATOM 776 CB SER A 51 -0.965 3.810 8.111 1.00 0.00 C ATOM 777 OG SER A 51 0.434 3.881 8.328 1.00 0.00 O ATOM 0 H SER A 51 -0.334 0.857 7.592 1.00 0.00 H new ATOM 0 HA SER A 51 -2.358 2.759 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.319 4.751 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.477 3.674 9.063 1.00 0.00 H new ATOM 0 HG SER A 51 0.899 3.367 7.635 1.00 0.00 H new ATOM 783 N VAL A 52 -1.025 3.125 4.806 1.00 0.00 N ATOM 784 CA VAL A 52 -0.294 3.225 3.548 1.00 0.00 C ATOM 785 C VAL A 52 -0.594 4.542 2.842 1.00 0.00 C ATOM 786 O VAL A 52 -1.674 5.112 3.000 1.00 0.00 O ATOM 787 CB VAL A 52 -0.639 2.058 2.604 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.032 2.237 2.021 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.400 1.944 1.498 1.00 0.00 C ATOM 0 H VAL A 52 -2.007 3.393 4.745 1.00 0.00 H new ATOM 0 HA VAL A 52 0.767 3.181 3.794 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.628 1.132 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.258 1.403 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.763 2.266 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.074 3.170 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.141 1.115 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.423 2.870 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.381 1.766 1.938 1.00 0.00 H new ATOM 799 N ASP A 53 0.369 5.021 2.061 1.00 0.00 N ATOM 800 CA ASP A 53 0.208 6.271 1.328 1.00 0.00 C ATOM 801 C ASP A 53 0.065 6.009 -0.168 1.00 0.00 C ATOM 802 O ASP A 53 0.984 5.502 -0.811 1.00 0.00 O ATOM 803 CB ASP A 53 1.400 7.195 1.585 1.00 0.00 C ATOM 804 CG ASP A 53 2.718 6.566 1.178 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.025 5.461 1.672 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.443 7.179 0.367 1.00 0.00 O ATOM 0 H ASP A 53 1.269 4.562 1.920 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.701 6.757 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.260 8.126 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.435 7.452 2.644 1.00 0.00 H new ATOM 811 N VAL A 54 -1.095 6.357 -0.716 1.00 0.00 N ATOM 812 CA VAL A 54 -1.359 6.160 -2.136 1.00 0.00 C ATOM 813 C VAL A 54 -1.888 7.437 -2.780 1.00 0.00 C ATOM 814 O VAL A 54 -2.820 8.060 -2.271 1.00 0.00 O ATOM 815 CB VAL A 54 -2.374 5.024 -2.366 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.673 4.867 -3.849 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.856 3.720 -1.778 1.00 0.00 C ATOM 0 H VAL A 54 -1.867 6.777 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.410 5.889 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.303 5.282 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.392 4.060 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.089 5.797 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.752 4.632 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.585 2.928 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.913 3.454 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.698 3.842 -0.706 1.00 0.00 H new ATOM 827 N ASP A 55 -1.288 7.820 -3.901 1.00 0.00 N ATOM 828 CA ASP A 55 -1.699 9.023 -4.616 1.00 0.00 C ATOM 829 C ASP A 55 -1.933 10.178 -3.647 1.00 0.00 C ATOM 830 O ASP A 55 -2.894 10.933 -3.786 1.00 0.00 O ATOM 831 CB ASP A 55 -2.970 8.753 -5.423 1.00 0.00 C ATOM 832 CG ASP A 55 -3.087 9.652 -6.638 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.040 10.125 -7.128 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.224 9.881 -7.098 1.00 0.00 O ATOM 0 H ASP A 55 -0.515 7.315 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.896 9.302 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.979 7.711 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.841 8.897 -4.783 1.00 0.00 H new ATOM 839 N GLY A 56 -1.046 10.308 -2.664 1.00 0.00 N ATOM 840 CA GLY A 56 -1.174 11.372 -1.686 1.00 0.00 C ATOM 841 C GLY A 56 -2.370 11.181 -0.774 1.00 0.00 C ATOM 842 O GLY A 56 -2.994 12.151 -0.343 1.00 0.00 O ATOM 0 H GLY A 56 -0.242 9.695 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.266 11.419 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.264 12.327 -2.203 1.00 0.00 H new ATOM 846 N THR A 57 -2.693 9.925 -0.480 1.00 0.00 N ATOM 847 CA THR A 57 -3.824 9.610 0.384 1.00 0.00 C ATOM 848 C THR A 57 -3.443 8.568 1.429 1.00 0.00 C ATOM 849 O THR A 57 -3.335 7.379 1.127 1.00 0.00 O ATOM 850 CB THR A 57 -5.024 9.089 -0.430 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.317 9.991 -1.502 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.251 8.931 0.456 1.00 0.00 C ATOM 0 H THR A 57 -2.187 9.110 -0.827 1.00 0.00 H new ATOM 0 HA THR A 57 -4.108 10.536 0.884 1.00 0.00 H new ATOM 0 HB THR A 57 -4.762 8.113 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.080 9.652 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.085 8.562 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.034 8.222 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.514 9.896 0.889 1.00 0.00 H new ATOM 860 N THR A 58 -3.241 9.021 2.663 1.00 0.00 N ATOM 861 CA THR A 58 -2.871 8.128 3.754 1.00 0.00 C ATOM 862 C THR A 58 -4.081 7.353 4.264 1.00 0.00 C ATOM 863 O THR A 58 -4.966 7.918 4.907 1.00 0.00 O ATOM 864 CB THR A 58 -2.241 8.903 4.926 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.110 9.652 4.467 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.812 7.954 6.034 1.00 0.00 C ATOM 0 H THR A 58 -3.328 10.001 2.931 1.00 0.00 H new ATOM 0 HA THR A 58 -2.136 7.429 3.355 1.00 0.00 H new ATOM 0 HB THR A 58 -2.990 9.586 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.716 10.143 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.370 8.525 6.851 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.681 7.408 6.402 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.078 7.249 5.645 1.00 0.00 H new ATOM 874 N TYR A 59 -4.113 6.057 3.974 1.00 0.00 N ATOM 875 CA TYR A 59 -5.216 5.205 4.402 1.00 0.00 C ATOM 876 C TYR A 59 -4.897 4.529 5.731 1.00 0.00 C ATOM 877 O TYR A 59 -3.734 4.392 6.107 1.00 0.00 O ATOM 878 CB TYR A 59 -5.515 4.148 3.337 1.00 0.00 C ATOM 879 CG TYR A 59 -6.155 4.710 2.088 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.381 5.255 1.071 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.535 4.696 1.925 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.962 5.770 -0.071 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.125 5.207 0.785 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.334 5.744 -0.209 1.00 0.00 C ATOM 885 OH TYR A 59 -7.917 6.255 -1.346 1.00 0.00 O ATOM 0 H TYR A 59 -3.388 5.574 3.444 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.096 5.833 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.587 3.646 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.173 3.391 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.306 5.276 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.157 4.278 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.346 6.191 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.199 5.186 0.673 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.304 6.150 -2.103 1.00 0.00 H new ATOM 895 N GLU A 60 -5.941 4.107 6.439 1.00 0.00 N ATOM 896 CA GLU A 60 -5.773 3.444 7.727 1.00 0.00 C ATOM 897 C GLU A 60 -6.835 2.367 7.927 1.00 0.00 C ATOM 898 O GLU A 60 -8.032 2.638 7.844 1.00 0.00 O ATOM 899 CB GLU A 60 -5.845 4.466 8.864 1.00 0.00 C ATOM 900 CG GLU A 60 -4.870 5.621 8.708 1.00 0.00 C ATOM 901 CD GLU A 60 -5.175 6.772 9.646 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.662 6.511 10.766 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.926 7.934 9.262 1.00 0.00 O ATOM 0 H GLU A 60 -6.911 4.213 6.142 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.792 2.968 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.859 4.863 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.647 3.960 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.857 5.264 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.898 5.979 7.679 1.00 0.00 H new ATOM 910 N ALA A 61 -6.386 1.144 8.191 1.00 0.00 N ATOM 911 CA ALA A 61 -7.297 0.026 8.405 1.00 0.00 C ATOM 912 C ALA A 61 -6.709 -0.980 9.388 1.00 0.00 C ATOM 913 O ALA A 61 -5.665 -1.578 9.129 1.00 0.00 O ATOM 914 CB ALA A 61 -7.620 -0.652 7.082 1.00 0.00 C ATOM 0 H ALA A 61 -5.398 0.902 8.262 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.219 0.417 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.301 -1.485 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.090 0.066 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.701 -1.024 6.630 1.00 0.00 H new ATOM 920 N SER A 62 -7.385 -1.162 10.518 1.00 0.00 N ATOM 921 CA SER A 62 -6.927 -2.094 11.542 1.00 0.00 C ATOM 922 C SER A 62 -7.627 -3.442 11.403 1.00 0.00 C ATOM 923 O SER A 62 -8.683 -3.544 10.780 1.00 0.00 O ATOM 924 CB SER A 62 -7.178 -1.516 12.936 1.00 0.00 C ATOM 925 OG SER A 62 -6.218 -1.988 13.865 1.00 0.00 O ATOM 0 H SER A 62 -8.252 -0.676 10.748 1.00 0.00 H new ATOM 0 HA SER A 62 -5.856 -2.246 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.143 -0.427 12.893 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.178 -1.789 13.272 1.00 0.00 H new ATOM 0 HG SER A 62 -5.625 -1.252 14.125 1.00 0.00 H new ATOM 931 N GLY A 63 -7.031 -4.475 11.990 1.00 0.00 N ATOM 932 CA GLY A 63 -7.611 -5.803 11.921 1.00 0.00 C ATOM 933 C GLY A 63 -7.146 -6.699 13.052 1.00 0.00 C ATOM 934 O GLY A 63 -6.416 -6.274 13.949 1.00 0.00 O ATOM 0 H GLY A 63 -6.157 -4.416 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.698 -5.723 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.349 -6.261 10.967 1.00 0.00 H new ATOM 938 N PRO A 64 -7.574 -7.970 13.021 1.00 0.00 N ATOM 939 CA PRO A 64 -7.209 -8.953 14.045 1.00 0.00 C ATOM 940 C PRO A 64 -5.737 -9.344 13.976 1.00 0.00 C ATOM 941 O PRO A 64 -5.159 -9.799 14.963 1.00 0.00 O ATOM 942 CB PRO A 64 -8.098 -10.155 13.714 1.00 0.00 C ATOM 943 CG PRO A 64 -8.390 -10.021 12.259 1.00 0.00 C ATOM 944 CD PRO A 64 -8.445 -8.544 11.982 1.00 0.00 C ATOM 0 HA PRO A 64 -7.352 -8.564 15.053 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.590 -11.095 13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.014 -10.144 14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.617 -10.502 11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.335 -10.501 12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.084 -8.309 10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.462 -8.159 12.053 1.00 0.00 H new ATOM 952 N SER A 65 -5.136 -9.163 12.804 1.00 0.00 N ATOM 953 CA SER A 65 -3.731 -9.500 12.606 1.00 0.00 C ATOM 954 C SER A 65 -3.074 -8.534 11.625 1.00 0.00 C ATOM 955 O SER A 65 -3.753 -7.776 10.932 1.00 0.00 O ATOM 956 CB SER A 65 -3.597 -10.935 12.093 1.00 0.00 C ATOM 957 OG SER A 65 -2.273 -11.415 12.261 1.00 0.00 O ATOM 0 H SER A 65 -5.600 -8.785 11.978 1.00 0.00 H new ATOM 0 HA SER A 65 -3.223 -9.416 13.567 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.292 -11.582 12.627 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.871 -10.975 11.039 1.00 0.00 H new ATOM 0 HG SER A 65 -2.214 -12.334 11.927 1.00 0.00 H new ATOM 963 N LYS A 66 -1.747 -8.566 11.572 1.00 0.00 N ATOM 964 CA LYS A 66 -0.995 -7.696 10.676 1.00 0.00 C ATOM 965 C LYS A 66 -1.445 -7.883 9.231 1.00 0.00 C ATOM 966 O LYS A 66 -1.653 -6.911 8.504 1.00 0.00 O ATOM 967 CB LYS A 66 0.504 -7.980 10.795 1.00 0.00 C ATOM 968 CG LYS A 66 1.379 -6.793 10.431 1.00 0.00 C ATOM 969 CD LYS A 66 2.779 -6.935 11.004 1.00 0.00 C ATOM 970 CE LYS A 66 2.801 -6.649 12.498 1.00 0.00 C ATOM 971 NZ LYS A 66 4.059 -7.127 13.136 1.00 0.00 N ATOM 0 H LYS A 66 -1.169 -9.186 12.140 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.187 -6.663 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.727 -8.285 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.759 -8.820 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.437 -6.701 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.923 -5.876 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.148 -7.944 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.454 -6.250 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.694 -5.577 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.947 -7.132 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.035 -6.913 14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.149 -8.154 13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.873 -6.648 12.701 1.00 0.00 H new ATOM 985 N LYS A 67 -1.596 -9.137 8.821 1.00 0.00 N ATOM 986 CA LYS A 67 -2.025 -9.452 7.463 1.00 0.00 C ATOM 987 C LYS A 67 -3.350 -8.770 7.139 1.00 0.00 C ATOM 988 O LYS A 67 -3.426 -7.932 6.239 1.00 0.00 O ATOM 989 CB LYS A 67 -2.163 -10.966 7.288 1.00 0.00 C ATOM 990 CG LYS A 67 -2.855 -11.369 5.998 1.00 0.00 C ATOM 991 CD LYS A 67 -3.423 -12.776 6.085 1.00 0.00 C ATOM 992 CE LYS A 67 -3.942 -13.252 4.737 1.00 0.00 C ATOM 993 NZ LYS A 67 -4.979 -14.310 4.885 1.00 0.00 N ATOM 0 H LYS A 67 -1.428 -9.953 9.410 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.267 -9.080 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.172 -11.418 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.721 -11.371 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.658 -10.665 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.147 -11.312 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.652 -13.459 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.231 -12.799 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.360 -12.407 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.113 -13.637 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.308 -14.608 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.573 -15.127 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.782 -13.935 5.429 1.00 0.00 H new ATOM 1007 N THR A 68 -4.394 -9.132 7.878 1.00 0.00 N ATOM 1008 CA THR A 68 -5.716 -8.555 7.670 1.00 0.00 C ATOM 1009 C THR A 68 -5.644 -7.035 7.579 1.00 0.00 C ATOM 1010 O THR A 68 -6.310 -6.421 6.747 1.00 0.00 O ATOM 1011 CB THR A 68 -6.684 -8.945 8.802 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.040 -8.794 10.072 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.160 -10.380 8.637 1.00 0.00 C ATOM 0 H THR A 68 -4.349 -9.823 8.627 1.00 0.00 H new ATOM 0 HA THR A 68 -6.091 -8.955 6.728 1.00 0.00 H new ATOM 0 HB THR A 68 -7.549 -8.284 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.148 -8.410 9.943 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.843 -10.632 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.676 -10.485 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.303 -11.053 8.661 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.830 -6.433 8.441 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.669 -4.985 8.456 1.00 0.00 C ATOM 1023 C ALA A 69 -4.144 -4.477 7.118 1.00 0.00 C ATOM 1024 O ALA A 69 -4.690 -3.536 6.541 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.736 -4.569 9.584 1.00 0.00 C ATOM 0 H ALA A 69 -4.272 -6.927 9.138 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.648 -4.537 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.625 -3.485 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.153 -4.890 10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.761 -5.034 9.440 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.080 -5.104 6.629 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.480 -4.717 5.357 1.00 0.00 C ATOM 1033 C LYS A 70 -3.460 -4.924 4.207 1.00 0.00 C ATOM 1034 O LYS A 70 -3.547 -4.101 3.296 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.204 -5.524 5.105 1.00 0.00 C ATOM 1036 CG LYS A 70 0.038 -4.908 5.727 1.00 0.00 C ATOM 1037 CD LYS A 70 1.104 -5.956 5.997 1.00 0.00 C ATOM 1038 CE LYS A 70 1.846 -6.336 4.724 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.169 -6.954 5.017 1.00 0.00 N ATOM 0 H LYS A 70 -2.615 -5.883 7.094 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.229 -3.658 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.337 -6.531 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.052 -5.621 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.438 -4.143 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.229 -4.411 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.812 -5.575 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.642 -6.844 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.240 -7.033 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.988 -5.448 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.643 -7.199 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.757 -6.280 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.032 -7.815 5.584 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.198 -6.028 4.257 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.174 -6.343 3.219 1.00 0.00 C ATOM 1055 C LEU A 71 -6.334 -5.353 3.245 1.00 0.00 C ATOM 1056 O LEU A 71 -6.789 -4.886 2.200 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.701 -7.767 3.402 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.667 -8.269 2.328 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -5.969 -8.354 0.980 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.243 -9.622 2.719 1.00 0.00 C ATOM 0 H LEU A 71 -4.139 -6.719 5.005 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.677 -6.268 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.849 -8.446 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.201 -7.826 4.369 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.489 -7.558 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.672 -8.713 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.606 -7.366 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.128 -9.044 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.928 -9.964 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.434 -10.343 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.780 -9.530 3.663 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.808 -5.035 4.446 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.914 -4.097 4.608 1.00 0.00 C ATOM 1074 C HIS A 72 -7.574 -2.744 3.991 1.00 0.00 C ATOM 1075 O HIS A 72 -8.265 -2.270 3.090 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.251 -3.925 6.089 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.880 -5.137 6.705 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -8.864 -6.435 6.321 1.00 0.00 N flip ATOM 1079 CD2 HIS A 72 -9.637 -5.089 7.857 1.00 0.00 C flip ATOM 1080 CE1 HIS A 72 -9.602 -7.140 7.240 1.00 0.00 C flip ATOM 1081 NE2 HIS A 72 -10.057 -6.305 8.156 1.00 0.00 N flip ATOM 0 H HIS A 72 -6.444 -5.413 5.321 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.782 -4.504 4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.339 -3.682 6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.927 -3.077 6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.853 -4.197 8.426 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.781 -8.205 7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.635 -6.556 8.958 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.504 -2.127 4.483 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.072 -0.828 3.980 1.00 0.00 C ATOM 1092 C VAL A 73 -6.219 -0.749 2.464 1.00 0.00 C ATOM 1093 O VAL A 73 -6.906 0.128 1.942 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.607 -0.539 4.358 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.108 0.710 3.647 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.464 -0.398 5.866 1.00 0.00 C ATOM 0 H VAL A 73 -5.921 -2.506 5.229 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.714 -0.079 4.444 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.994 -1.380 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.071 0.898 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.173 0.565 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.722 1.563 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.423 -0.194 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.088 0.424 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.778 -1.323 6.349 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.569 -1.673 1.763 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.630 -1.710 0.307 1.00 0.00 C ATOM 1108 C ALA A 74 -7.073 -1.668 -0.183 1.00 0.00 C ATOM 1109 O ALA A 74 -7.417 -0.882 -1.066 1.00 0.00 O ATOM 1110 CB ALA A 74 -4.927 -2.952 -0.219 1.00 0.00 C ATOM 0 H ALA A 74 -4.994 -2.405 2.180 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.118 -0.827 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.980 -2.967 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.883 -2.939 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.414 -3.842 0.180 1.00 0.00 H new ATOM 1116 N VAL A 75 -7.915 -2.519 0.395 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.322 -2.579 0.016 1.00 0.00 C ATOM 1118 C VAL A 75 -9.937 -1.185 -0.033 1.00 0.00 C ATOM 1119 O VAL A 75 -10.691 -0.859 -0.951 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.130 -3.450 0.996 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.602 -3.458 0.614 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.573 -4.865 1.034 1.00 0.00 C ATOM 0 H VAL A 75 -7.647 -3.176 1.127 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.364 -3.027 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.041 -3.022 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.157 -4.078 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.991 -2.440 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.715 -3.861 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.156 -5.467 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.631 -5.306 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.533 -4.838 1.359 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.610 -0.364 0.959 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.129 0.997 1.030 1.00 0.00 C ATOM 1134 C LYS A 76 -9.645 1.825 -0.156 1.00 0.00 C ATOM 1135 O LYS A 76 -10.437 2.480 -0.834 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.699 1.661 2.339 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.619 1.354 3.508 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.873 1.398 4.831 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.794 1.789 5.977 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.362 1.183 7.267 1.00 0.00 N ATOM 0 H LYS A 76 -8.987 -0.618 1.726 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.217 0.947 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.689 1.335 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.659 2.740 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.438 2.074 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.064 0.368 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.432 0.422 5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.052 2.111 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.813 2.875 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.812 1.472 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.108 1.315 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.189 0.166 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.488 1.643 7.591 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.339 1.792 -0.402 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.750 2.537 -1.508 1.00 0.00 C ATOM 1156 C VAL A 77 -8.526 2.309 -2.800 1.00 0.00 C ATOM 1157 O VAL A 77 -8.940 3.259 -3.465 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.277 2.143 -1.730 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.677 2.942 -2.877 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.475 2.342 -0.453 1.00 0.00 C ATOM 0 H VAL A 77 -7.669 1.257 0.150 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.799 3.592 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.237 1.087 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.636 2.650 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.237 2.744 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.727 4.006 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.437 2.059 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.520 3.389 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.892 1.720 0.339 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.720 1.042 -3.151 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.448 0.687 -4.365 1.00 0.00 C ATOM 1172 C LEU A 78 -10.867 1.246 -4.331 1.00 0.00 C ATOM 1173 O LEU A 78 -11.341 1.819 -5.312 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.489 -0.832 -4.532 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.134 -1.538 -4.598 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.321 -3.043 -4.707 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.317 -1.013 -5.769 1.00 0.00 C ATOM 0 H LEU A 78 -8.384 0.244 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.925 1.125 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.055 -1.253 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.041 -1.062 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.590 -1.327 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.346 -3.528 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.866 -3.406 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.885 -3.275 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.356 -1.526 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.856 -1.194 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.153 0.058 -5.647 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.538 1.076 -3.197 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.902 1.565 -3.036 1.00 0.00 C ATOM 1191 C GLN A 79 -12.979 3.064 -3.307 1.00 0.00 C ATOM 1192 O GLN A 79 -13.916 3.542 -3.946 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.412 1.262 -1.626 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.847 -0.181 -1.433 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.079 -0.531 0.024 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -13.152 -0.512 0.834 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.321 -0.853 0.365 1.00 0.00 N ATOM 0 H GLN A 79 -11.160 0.603 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.533 1.051 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.627 1.495 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.253 1.919 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.764 -0.359 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.086 -0.844 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.059 -0.856 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.537 -1.098 1.331 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.988 3.800 -2.816 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.942 5.245 -3.006 1.00 0.00 C ATOM 1208 C ALA A 80 -11.893 5.602 -4.488 1.00 0.00 C ATOM 1209 O ALA A 80 -12.664 6.435 -4.961 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.744 5.835 -2.279 1.00 0.00 C ATOM 0 H ALA A 80 -11.206 3.420 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.853 5.671 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.722 6.914 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.822 5.619 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.827 5.395 -2.672 1.00 0.00 H new ATOM 1216 N MET A 81 -10.980 4.965 -5.215 1.00 0.00 N ATOM 1217 CA MET A 81 -10.831 5.216 -6.644 1.00 0.00 C ATOM 1218 C MET A 81 -12.047 4.713 -7.414 1.00 0.00 C ATOM 1219 O MET A 81 -12.418 5.275 -8.444 1.00 0.00 O ATOM 1220 CB MET A 81 -9.563 4.542 -7.172 1.00 0.00 C ATOM 1221 CG MET A 81 -8.301 4.957 -6.434 1.00 0.00 C ATOM 1222 SD MET A 81 -6.833 4.896 -7.480 1.00 0.00 S ATOM 1223 CE MET A 81 -5.676 4.069 -6.391 1.00 0.00 C ATOM 0 H MET A 81 -10.333 4.272 -4.838 1.00 0.00 H new ATOM 0 HA MET A 81 -10.750 6.293 -6.792 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.678 3.461 -7.098 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.450 4.778 -8.230 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.426 5.969 -6.049 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.157 4.304 -5.573 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.670 4.145 -6.804 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.701 4.540 -5.408 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.952 3.019 -6.297 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.665 3.650 -6.908 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.833 3.090 -7.562 1.00 0.00 C ATOM 1235 C GLY A 82 -13.534 1.775 -8.254 1.00 0.00 C ATOM 1236 O GLY A 82 -14.024 1.519 -9.355 1.00 0.00 O ATOM 0 H GLY A 82 -12.378 3.167 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.621 2.938 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.214 3.804 -8.293 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.728 0.939 -7.610 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.361 -0.355 -8.173 1.00 0.00 C ATOM 1242 C TYR A 83 -13.043 -1.491 -7.416 1.00 0.00 C ATOM 1243 O TYR A 83 -13.343 -1.387 -6.227 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.843 -0.540 -8.134 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.116 0.191 -9.240 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.175 -0.260 -10.553 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.369 1.331 -8.972 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.511 0.404 -11.567 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.703 2.002 -9.979 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.777 1.535 -11.275 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.114 2.200 -12.281 1.00 0.00 O ATOM 0 H TYR A 83 -12.316 1.134 -6.697 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.696 -0.380 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.467 -0.192 -7.172 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.613 -1.603 -8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.750 -1.145 -10.785 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.308 1.699 -7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.566 0.040 -12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.127 2.887 -9.753 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.646 2.976 -11.907 1.00 0.00 H new