USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 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 -23:sc= 0.801 USER MOD Set 1.2: A 62 SER OG : rot -60:sc= -2.02! USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0619 K(o=-0.062,f=-2.1) USER MOD Single : A 23 MET CE :methyl -150:sc= -0.587 (180deg=-1.07) USER MOD Single : A 26 ASN : amide:sc= -1.51 K(o=-1.5,f=-3!) USER MOD Single : A 27 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.14) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.864 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= -3.98! C(o=-4!,f=-4.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.111 K(o=-0.11,f=-0.82) USER MOD Single : A 50 MET CE :methyl -135:sc= -4.59! (180deg=-5.89!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 74:sc= 0.0268 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot 15:sc= 0.289 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 -3:sc= 1.25 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -1.13 F(o=-2.4!,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 81 MET CE :methyl -173:sc= -2.32! (180deg=-2.32!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -10.166 -12.861 -1.288 1.00 0.00 N ATOM 237 CA LEU A 18 -9.987 -11.534 -0.710 1.00 0.00 C ATOM 238 C LEU A 18 -8.544 -11.064 -0.861 1.00 0.00 C ATOM 239 O LEU A 18 -8.286 -9.879 -1.069 1.00 0.00 O ATOM 240 CB LEU A 18 -10.380 -11.543 0.769 1.00 0.00 C ATOM 241 CG LEU A 18 -9.796 -12.677 1.612 1.00 0.00 C ATOM 242 CD1 LEU A 18 -8.455 -12.267 2.201 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.765 -13.075 2.715 1.00 0.00 C ATOM 0 HA LEU A 18 -10.634 -10.841 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.075 -10.594 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.467 -11.591 0.835 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.638 -13.540 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.054 -13.086 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.760 -12.032 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.588 -11.389 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.333 -13.883 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.955 -12.217 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.703 -13.411 2.272 1.00 0.00 H new ATOM 255 N MET A 19 -7.608 -12.002 -0.758 1.00 0.00 N ATOM 256 CA MET A 19 -6.191 -11.684 -0.888 1.00 0.00 C ATOM 257 C MET A 19 -5.937 -10.825 -2.123 1.00 0.00 C ATOM 258 O MET A 19 -4.987 -10.045 -2.163 1.00 0.00 O ATOM 259 CB MET A 19 -5.363 -12.968 -0.966 1.00 0.00 C ATOM 260 CG MET A 19 -5.425 -13.649 -2.323 1.00 0.00 C ATOM 261 SD MET A 19 -5.238 -15.439 -2.212 1.00 0.00 S ATOM 262 CE MET A 19 -6.923 -15.974 -2.494 1.00 0.00 C ATOM 0 H MET A 19 -7.805 -12.988 -0.585 1.00 0.00 H new ATOM 0 HA MET A 19 -5.889 -11.119 -0.006 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.324 -12.735 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.713 -13.663 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.378 -13.416 -2.799 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.641 -13.245 -2.964 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.970 -17.062 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.571 -15.555 -1.724 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.255 -15.631 -3.474 1.00 0.00 H new ATOM 272 N ASN A 20 -6.793 -10.975 -3.128 1.00 0.00 N ATOM 273 CA ASN A 20 -6.660 -10.214 -4.365 1.00 0.00 C ATOM 274 C ASN A 20 -6.330 -8.753 -4.072 1.00 0.00 C ATOM 275 O ASN A 20 -5.361 -8.208 -4.599 1.00 0.00 O ATOM 276 CB ASN A 20 -7.949 -10.302 -5.184 1.00 0.00 C ATOM 277 CG ASN A 20 -7.695 -10.197 -6.676 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.639 -9.100 -7.231 1.00 0.00 O ATOM 279 ND2 ASN A 20 -7.541 -11.342 -7.331 1.00 0.00 N ATOM 0 H ASN A 20 -7.586 -11.616 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.841 -10.645 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.449 -11.246 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.627 -9.505 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.368 -11.335 -8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.595 -12.228 -6.829 1.00 0.00 H new ATOM 286 N ALA A 21 -7.142 -8.127 -3.227 1.00 0.00 N ATOM 287 CA ALA A 21 -6.935 -6.731 -2.861 1.00 0.00 C ATOM 288 C ALA A 21 -5.449 -6.397 -2.791 1.00 0.00 C ATOM 289 O ALA A 21 -4.957 -5.545 -3.533 1.00 0.00 O ATOM 290 CB ALA A 21 -7.610 -6.428 -1.532 1.00 0.00 C ATOM 0 H ALA A 21 -7.949 -8.564 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.385 -6.108 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.447 -5.382 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.680 -6.619 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.187 -7.066 -0.756 1.00 0.00 H new ATOM 296 N LEU A 22 -4.738 -7.071 -1.894 1.00 0.00 N ATOM 297 CA LEU A 22 -3.306 -6.845 -1.725 1.00 0.00 C ATOM 298 C LEU A 22 -2.605 -6.764 -3.077 1.00 0.00 C ATOM 299 O LEU A 22 -1.932 -5.779 -3.380 1.00 0.00 O ATOM 300 CB LEU A 22 -2.689 -7.963 -0.884 1.00 0.00 C ATOM 301 CG LEU A 22 -2.717 -7.758 0.631 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.195 -8.994 1.347 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.902 -6.532 1.017 1.00 0.00 C ATOM 0 H LEU A 22 -5.129 -7.779 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.171 -5.894 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.209 -8.893 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.652 -8.093 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.750 -7.595 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.222 -8.829 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.819 -9.851 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.169 -9.188 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.932 -6.401 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.869 -6.666 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.320 -5.650 0.532 1.00 0.00 H new ATOM 315 N MET A 23 -2.770 -7.804 -3.887 1.00 0.00 N ATOM 316 CA MET A 23 -2.156 -7.848 -5.209 1.00 0.00 C ATOM 317 C MET A 23 -2.570 -6.640 -6.042 1.00 0.00 C ATOM 318 O MET A 23 -1.743 -6.025 -6.716 1.00 0.00 O ATOM 319 CB MET A 23 -2.544 -9.139 -5.933 1.00 0.00 C ATOM 320 CG MET A 23 -1.659 -10.323 -5.581 1.00 0.00 C ATOM 321 SD MET A 23 -1.442 -10.524 -3.802 1.00 0.00 S ATOM 322 CE MET A 23 -2.377 -12.024 -3.514 1.00 0.00 C ATOM 0 H MET A 23 -3.324 -8.628 -3.651 1.00 0.00 H new ATOM 0 HA MET A 23 -1.074 -7.824 -5.080 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.578 -9.385 -5.691 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.499 -8.970 -7.009 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.094 -11.233 -5.995 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.683 -10.194 -6.050 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.791 -12.007 -2.506 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.188 -12.092 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.721 -12.888 -3.622 1.00 0.00 H new ATOM 332 N ARG A 24 -3.855 -6.304 -5.991 1.00 0.00 N ATOM 333 CA ARG A 24 -4.379 -5.170 -6.742 1.00 0.00 C ATOM 334 C ARG A 24 -3.605 -3.896 -6.413 1.00 0.00 C ATOM 335 O ARG A 24 -3.007 -3.275 -7.293 1.00 0.00 O ATOM 336 CB ARG A 24 -5.864 -4.970 -6.437 1.00 0.00 C ATOM 337 CG ARG A 24 -6.737 -6.136 -6.872 1.00 0.00 C ATOM 338 CD ARG A 24 -6.963 -6.132 -8.375 1.00 0.00 C ATOM 339 NE ARG A 24 -7.841 -5.042 -8.794 1.00 0.00 N ATOM 340 CZ ARG A 24 -7.911 -4.594 -10.043 1.00 0.00 C ATOM 341 NH1 ARG A 24 -7.160 -5.139 -10.990 1.00 0.00 N ATOM 342 NH2 ARG A 24 -8.734 -3.598 -10.346 1.00 0.00 N ATOM 0 H ARG A 24 -4.552 -6.801 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.260 -5.384 -7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.988 -4.814 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.209 -4.063 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.267 -7.074 -6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.697 -6.085 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.004 -6.042 -8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.397 -7.084 -8.679 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.432 -4.601 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.526 -5.905 -10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.216 -4.793 -11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.313 -3.176 -9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.787 -3.254 -11.305 1.00 0.00 H new ATOM 356 N LEU A 25 -3.622 -3.512 -5.142 1.00 0.00 N ATOM 357 CA LEU A 25 -2.923 -2.311 -4.696 1.00 0.00 C ATOM 358 C LEU A 25 -1.498 -2.277 -5.240 1.00 0.00 C ATOM 359 O LEU A 25 -1.028 -1.242 -5.711 1.00 0.00 O ATOM 360 CB LEU A 25 -2.899 -2.250 -3.168 1.00 0.00 C ATOM 361 CG LEU A 25 -2.880 -0.850 -2.553 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.205 -0.144 -2.793 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.576 -0.926 -1.064 1.00 0.00 C ATOM 0 H LEU A 25 -4.112 -4.014 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.460 -1.444 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.773 -2.780 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.021 -2.792 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.091 -0.272 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.173 0.851 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.382 -0.057 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.011 -0.719 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.566 0.079 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.342 -1.521 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.602 -1.391 -0.915 1.00 0.00 H new ATOM 375 N ASN A 26 -0.818 -3.417 -5.175 1.00 0.00 N ATOM 376 CA ASN A 26 0.553 -3.518 -5.663 1.00 0.00 C ATOM 377 C ASN A 26 0.603 -3.359 -7.179 1.00 0.00 C ATOM 378 O ASN A 26 1.504 -2.714 -7.715 1.00 0.00 O ATOM 379 CB ASN A 26 1.163 -4.862 -5.259 1.00 0.00 C ATOM 380 CG ASN A 26 1.339 -4.989 -3.758 1.00 0.00 C ATOM 381 OD1 ASN A 26 1.874 -4.091 -3.106 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.890 -6.108 -3.202 1.00 0.00 N ATOM 0 H ASN A 26 -1.193 -4.283 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 26 1.133 -2.713 -5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.525 -5.670 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.131 -4.980 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.982 -6.250 -2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.453 -6.825 -3.781 1.00 0.00 H new ATOM 389 N GLN A 27 -0.370 -3.951 -7.863 1.00 0.00 N ATOM 390 CA GLN A 27 -0.436 -3.875 -9.318 1.00 0.00 C ATOM 391 C GLN A 27 -0.508 -2.425 -9.785 1.00 0.00 C ATOM 392 O GLN A 27 0.325 -1.974 -10.572 1.00 0.00 O ATOM 393 CB GLN A 27 -1.649 -4.650 -9.836 1.00 0.00 C ATOM 394 CG GLN A 27 -1.426 -6.152 -9.904 1.00 0.00 C ATOM 395 CD GLN A 27 -0.436 -6.547 -10.982 1.00 0.00 C ATOM 396 OE1 GLN A 27 -0.808 -6.758 -12.137 1.00 0.00 O ATOM 397 NE2 GLN A 27 0.834 -6.650 -10.610 1.00 0.00 N ATOM 0 H GLN A 27 -1.123 -4.488 -7.434 1.00 0.00 H new ATOM 0 HA GLN A 27 0.472 -4.323 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.503 -4.447 -9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.907 -4.284 -10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.066 -6.506 -8.938 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.378 -6.649 -10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.098 -6.466 -9.642 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.545 -6.913 -11.292 1.00 0.00 H new ATOM 406 N ILE A 28 -1.507 -1.699 -9.294 1.00 0.00 N ATOM 407 CA ILE A 28 -1.686 -0.300 -9.661 1.00 0.00 C ATOM 408 C ILE A 28 -0.625 0.580 -9.008 1.00 0.00 C ATOM 409 O ILE A 28 -0.180 1.569 -9.590 1.00 0.00 O ATOM 410 CB ILE A 28 -3.081 0.213 -9.258 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.391 -0.170 -7.810 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.142 -0.342 -10.197 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.495 0.657 -7.188 1.00 0.00 C ATOM 0 H ILE A 28 -2.204 -2.057 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.585 -0.243 -10.745 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.088 1.300 -9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.672 -1.222 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.486 -0.061 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.122 0.030 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.928 -0.023 -11.217 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.137 -1.431 -10.149 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.660 0.330 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.208 1.709 -7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.413 0.529 -7.762 1.00 0.00 H new ATOM 425 N ARG A 29 -0.223 0.211 -7.796 1.00 0.00 N ATOM 426 CA ARG A 29 0.787 0.966 -7.064 1.00 0.00 C ATOM 427 C ARG A 29 1.934 0.059 -6.628 1.00 0.00 C ATOM 428 O ARG A 29 1.934 -0.499 -5.531 1.00 0.00 O ATOM 429 CB ARG A 29 0.163 1.640 -5.841 1.00 0.00 C ATOM 430 CG ARG A 29 -1.108 2.414 -6.153 1.00 0.00 C ATOM 431 CD ARG A 29 -0.852 3.522 -7.163 1.00 0.00 C ATOM 432 NE ARG A 29 -1.857 4.578 -7.082 1.00 0.00 N ATOM 433 CZ ARG A 29 -2.054 5.479 -8.039 1.00 0.00 C ATOM 434 NH1 ARG A 29 -1.320 5.451 -9.142 1.00 0.00 N ATOM 435 NH2 ARG A 29 -2.988 6.410 -7.893 1.00 0.00 N ATOM 0 H ARG A 29 -0.581 -0.606 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 29 1.185 1.732 -7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.059 0.880 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.892 2.319 -5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.864 1.732 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.509 2.843 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.136 3.948 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.848 3.102 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.439 4.627 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.601 4.737 -9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.474 6.144 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.555 6.435 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.138 7.101 -8.628 1.00 0.00 H new ATOM 449 N PRO A 30 2.936 -0.092 -7.507 1.00 0.00 N ATOM 450 CA PRO A 30 4.108 -0.929 -7.236 1.00 0.00 C ATOM 451 C PRO A 30 5.010 -0.333 -6.161 1.00 0.00 C ATOM 452 O PRO A 30 5.152 0.885 -6.061 1.00 0.00 O ATOM 453 CB PRO A 30 4.835 -0.970 -8.582 1.00 0.00 C ATOM 454 CG PRO A 30 4.414 0.279 -9.277 1.00 0.00 C ATOM 455 CD PRO A 30 3.002 0.545 -8.834 1.00 0.00 C ATOM 0 HA PRO A 30 3.827 -1.912 -6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.916 -1.003 -8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.558 -1.855 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.068 1.111 -9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.467 0.160 -10.359 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.793 1.613 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.276 0.114 -9.524 1.00 0.00 H new ATOM 463 N GLY A 31 5.619 -1.201 -5.358 1.00 0.00 N ATOM 464 CA GLY A 31 6.500 -0.741 -4.301 1.00 0.00 C ATOM 465 C GLY A 31 5.761 0.026 -3.222 1.00 0.00 C ATOM 466 O GLY A 31 5.891 1.246 -3.117 1.00 0.00 O ATOM 0 H GLY A 31 5.518 -2.214 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.003 -1.598 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.274 -0.105 -4.729 1.00 0.00 H new ATOM 470 N LEU A 32 4.982 -0.690 -2.419 1.00 0.00 N ATOM 471 CA LEU A 32 4.217 -0.070 -1.343 1.00 0.00 C ATOM 472 C LEU A 32 4.864 -0.340 0.012 1.00 0.00 C ATOM 473 O LEU A 32 5.572 -1.332 0.184 1.00 0.00 O ATOM 474 CB LEU A 32 2.779 -0.592 -1.346 1.00 0.00 C ATOM 475 CG LEU A 32 1.904 -0.141 -2.517 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.718 -1.077 -2.689 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.431 1.290 -2.309 1.00 0.00 C ATOM 0 H LEU A 32 4.863 -1.700 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 32 4.207 1.007 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.809 -1.682 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.299 -0.281 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 32 2.503 -0.176 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.107 -0.740 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.077 -2.087 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.118 -1.075 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.810 1.594 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.850 1.351 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.294 1.952 -2.237 1.00 0.00 H new ATOM 489 N GLN A 33 4.614 0.547 0.969 1.00 0.00 N ATOM 490 CA GLN A 33 5.172 0.402 2.308 1.00 0.00 C ATOM 491 C GLN A 33 4.076 0.478 3.366 1.00 0.00 C ATOM 492 O GLN A 33 3.468 1.530 3.570 1.00 0.00 O ATOM 493 CB GLN A 33 6.222 1.485 2.566 1.00 0.00 C ATOM 494 CG GLN A 33 5.641 2.887 2.653 1.00 0.00 C ATOM 495 CD GLN A 33 6.690 3.966 2.468 1.00 0.00 C ATOM 496 OE1 GLN A 33 6.675 4.700 1.480 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.608 4.068 3.422 1.00 0.00 N ATOM 0 H GLN A 33 4.029 1.373 0.842 1.00 0.00 H new ATOM 0 HA GLN A 33 5.646 -0.577 2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.744 1.259 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.964 1.457 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.868 3.003 1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.159 3.017 3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.582 3.438 4.224 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.339 4.776 3.353 1.00 0.00 H new ATOM 506 N TYR A 34 3.828 -0.642 4.035 1.00 0.00 N ATOM 507 CA TYR A 34 2.802 -0.703 5.070 1.00 0.00 C ATOM 508 C TYR A 34 3.422 -0.580 6.458 1.00 0.00 C ATOM 509 O TYR A 34 4.283 -1.373 6.840 1.00 0.00 O ATOM 510 CB TYR A 34 2.018 -2.012 4.963 1.00 0.00 C ATOM 511 CG TYR A 34 1.448 -2.266 3.585 1.00 0.00 C ATOM 512 CD1 TYR A 34 0.204 -1.764 3.223 1.00 0.00 C ATOM 513 CD2 TYR A 34 2.155 -3.006 2.646 1.00 0.00 C ATOM 514 CE1 TYR A 34 -0.320 -1.995 1.966 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.639 -3.240 1.386 1.00 0.00 C ATOM 516 CZ TYR A 34 0.401 -2.733 1.051 1.00 0.00 C ATOM 517 OH TYR A 34 -0.117 -2.963 -0.203 1.00 0.00 O ATOM 0 H TYR A 34 4.323 -1.520 3.880 1.00 0.00 H new ATOM 0 HA TYR A 34 2.120 0.134 4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.672 -2.841 5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.203 -1.998 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.363 -1.184 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.124 -3.405 2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.289 -1.600 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.202 -3.817 0.667 1.00 0.00 H new ATOM 0 HH TYR A 34 0.516 -3.498 -0.725 1.00 0.00 H new ATOM 527 N LYS A 35 2.976 0.420 7.211 1.00 0.00 N ATOM 528 CA LYS A 35 3.483 0.648 8.559 1.00 0.00 C ATOM 529 C LYS A 35 2.377 0.468 9.594 1.00 0.00 C ATOM 530 O LYS A 35 1.224 0.832 9.356 1.00 0.00 O ATOM 531 CB LYS A 35 4.078 2.053 8.672 1.00 0.00 C ATOM 532 CG LYS A 35 4.760 2.321 10.002 1.00 0.00 C ATOM 533 CD LYS A 35 6.003 1.463 10.173 1.00 0.00 C ATOM 534 CE LYS A 35 6.818 1.899 11.381 1.00 0.00 C ATOM 535 NZ LYS A 35 7.559 0.760 11.990 1.00 0.00 N ATOM 0 H LYS A 35 2.264 1.086 6.910 1.00 0.00 H new ATOM 0 HA LYS A 35 4.264 -0.087 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.799 2.198 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.285 2.787 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.032 3.375 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.063 2.121 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.713 0.418 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.618 1.528 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.524 2.674 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.156 2.341 12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.102 1.098 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.884 0.032 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.210 0.354 11.288 1.00 0.00 H new ATOM 549 N LEU A 36 2.734 -0.092 10.744 1.00 0.00 N ATOM 550 CA LEU A 36 1.772 -0.318 11.817 1.00 0.00 C ATOM 551 C LEU A 36 1.790 0.833 12.817 1.00 0.00 C ATOM 552 O LEU A 36 2.625 0.870 13.722 1.00 0.00 O ATOM 553 CB LEU A 36 2.076 -1.635 12.533 1.00 0.00 C ATOM 554 CG LEU A 36 0.928 -2.242 13.340 1.00 0.00 C ATOM 555 CD1 LEU A 36 -0.062 -2.939 12.419 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.463 -3.212 14.383 1.00 0.00 C ATOM 0 H LEU A 36 3.683 -0.398 10.958 1.00 0.00 H new ATOM 0 HA LEU A 36 0.778 -0.374 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.395 -2.364 11.789 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.920 -1.474 13.204 1.00 0.00 H new ATOM 0 HG LEU A 36 0.407 -1.436 13.857 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.872 -3.365 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.470 -2.218 11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.446 -3.735 11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.632 -3.634 14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.009 -4.014 13.887 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.132 -2.683 15.062 1.00 0.00 H new ATOM 568 N LEU A 37 0.864 1.770 12.649 1.00 0.00 N ATOM 569 CA LEU A 37 0.772 2.923 13.539 1.00 0.00 C ATOM 570 C LEU A 37 0.967 2.506 14.993 1.00 0.00 C ATOM 571 O LEU A 37 1.836 3.031 15.689 1.00 0.00 O ATOM 572 CB LEU A 37 -0.582 3.614 13.372 1.00 0.00 C ATOM 573 CG LEU A 37 -0.850 4.245 12.005 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.303 4.678 11.892 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.080 5.427 11.771 1.00 0.00 C ATOM 0 H LEU A 37 0.166 1.755 11.905 1.00 0.00 H new ATOM 0 HA LEU A 37 1.565 3.621 13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.367 2.885 13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.667 4.391 14.131 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.655 3.497 11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.474 5.125 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.952 3.811 12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.526 5.410 12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.125 5.863 10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.083 6.177 12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.115 5.088 11.807 1.00 0.00 H new ATOM 587 N SER A 38 0.154 1.557 15.445 1.00 0.00 N ATOM 588 CA SER A 38 0.235 1.069 16.817 1.00 0.00 C ATOM 589 C SER A 38 -0.723 -0.097 17.037 1.00 0.00 C ATOM 590 O SER A 38 -1.728 -0.228 16.339 1.00 0.00 O ATOM 591 CB SER A 38 -0.081 2.197 17.801 1.00 0.00 C ATOM 592 OG SER A 38 0.170 1.795 19.136 1.00 0.00 O ATOM 0 H SER A 38 -0.569 1.110 14.881 1.00 0.00 H new ATOM 0 HA SER A 38 1.252 0.718 16.992 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.523 3.072 17.562 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.125 2.492 17.697 1.00 0.00 H new ATOM 0 HG SER A 38 -0.038 2.534 19.745 1.00 0.00 H new ATOM 598 N GLN A 39 -0.403 -0.941 18.012 1.00 0.00 N ATOM 599 CA GLN A 39 -1.235 -2.097 18.325 1.00 0.00 C ATOM 600 C GLN A 39 -1.894 -1.941 19.692 1.00 0.00 C ATOM 601 O GLN A 39 -1.263 -1.488 20.647 1.00 0.00 O ATOM 602 CB GLN A 39 -0.399 -3.378 18.292 1.00 0.00 C ATOM 603 CG GLN A 39 -1.151 -4.608 18.773 1.00 0.00 C ATOM 604 CD GLN A 39 -1.147 -4.741 20.283 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.307 -4.155 20.967 1.00 0.00 O ATOM 606 NE2 GLN A 39 -2.087 -5.515 20.812 1.00 0.00 N ATOM 0 H GLN A 39 0.426 -0.846 18.599 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.019 -2.163 17.570 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.053 -3.550 17.273 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.488 -3.239 18.911 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.181 -4.561 18.419 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.703 -5.499 18.332 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.763 -5.982 20.208 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.133 -5.643 21.823 1.00 0.00 H new ATOM 615 N SER A 40 -3.165 -2.318 19.777 1.00 0.00 N ATOM 616 CA SER A 40 -3.911 -2.216 21.026 1.00 0.00 C ATOM 617 C SER A 40 -4.701 -3.493 21.293 1.00 0.00 C ATOM 618 O SER A 40 -5.142 -4.169 20.365 1.00 0.00 O ATOM 619 CB SER A 40 -4.858 -1.016 20.983 1.00 0.00 C ATOM 620 OG SER A 40 -6.125 -1.384 20.466 1.00 0.00 O ATOM 0 H SER A 40 -3.700 -2.697 18.996 1.00 0.00 H new ATOM 0 HA SER A 40 -3.196 -2.076 21.837 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.976 -0.606 21.986 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.425 -0.229 20.366 1.00 0.00 H new ATOM 0 HG SER A 40 -6.712 -0.600 20.450 1.00 0.00 H new ATOM 626 N GLY A 41 -4.877 -3.817 22.571 1.00 0.00 N ATOM 627 CA GLY A 41 -5.615 -5.012 22.939 1.00 0.00 C ATOM 628 C GLY A 41 -4.711 -6.115 23.452 1.00 0.00 C ATOM 629 O GLY A 41 -3.517 -5.916 23.674 1.00 0.00 O ATOM 0 H GLY A 41 -4.522 -3.273 23.358 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.348 -4.761 23.705 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.170 -5.374 22.073 1.00 0.00 H new ATOM 633 N PRO A 42 -5.285 -7.311 23.651 1.00 0.00 N ATOM 634 CA PRO A 42 -4.542 -8.473 24.146 1.00 0.00 C ATOM 635 C PRO A 42 -3.553 -9.010 23.116 1.00 0.00 C ATOM 636 O PRO A 42 -3.311 -8.380 22.087 1.00 0.00 O ATOM 637 CB PRO A 42 -5.639 -9.505 24.421 1.00 0.00 C ATOM 638 CG PRO A 42 -6.758 -9.119 23.516 1.00 0.00 C ATOM 639 CD PRO A 42 -6.704 -7.620 23.408 1.00 0.00 C ATOM 0 HA PRO A 42 -3.939 -8.228 25.020 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.292 -10.517 24.212 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.949 -9.484 25.466 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.647 -9.585 22.537 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.716 -9.447 23.918 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.028 -7.276 22.426 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.351 -7.141 24.143 1.00 0.00 H new ATOM 647 N VAL A 43 -2.985 -10.178 23.401 1.00 0.00 N ATOM 648 CA VAL A 43 -2.023 -10.800 22.499 1.00 0.00 C ATOM 649 C VAL A 43 -2.716 -11.747 21.525 1.00 0.00 C ATOM 650 O VAL A 43 -2.209 -12.014 20.435 1.00 0.00 O ATOM 651 CB VAL A 43 -0.946 -11.579 23.277 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.546 -12.819 23.923 1.00 0.00 C ATOM 653 CG2 VAL A 43 0.209 -11.951 22.359 1.00 0.00 C ATOM 0 H VAL A 43 -3.175 -10.712 24.249 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.546 -9.995 21.941 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.559 -10.938 24.069 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.770 -13.357 24.468 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.336 -12.524 24.613 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.962 -13.466 23.151 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.961 -12.501 22.925 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.160 -12.574 21.544 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.654 -11.045 21.949 1.00 0.00 H new ATOM 663 N HIS A 44 -3.879 -12.251 21.925 1.00 0.00 N ATOM 664 CA HIS A 44 -4.643 -13.168 21.087 1.00 0.00 C ATOM 665 C HIS A 44 -5.615 -12.405 20.192 1.00 0.00 C ATOM 666 O HIS A 44 -5.937 -12.848 19.090 1.00 0.00 O ATOM 667 CB HIS A 44 -5.409 -14.168 21.955 1.00 0.00 C ATOM 668 CG HIS A 44 -6.389 -13.524 22.886 1.00 0.00 C ATOM 669 ND1 HIS A 44 -6.059 -13.113 24.160 1.00 0.00 N ATOM 670 CD2 HIS A 44 -7.698 -13.220 22.722 1.00 0.00 C ATOM 671 CE1 HIS A 44 -7.122 -12.586 24.740 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.130 -12.638 23.888 1.00 0.00 N ATOM 0 H HIS A 44 -4.313 -12.040 22.824 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.942 -13.711 20.453 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.940 -14.866 21.308 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.696 -14.752 22.538 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.292 -13.402 21.838 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.161 -12.181 25.741 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.076 -12.301 24.067 1.00 0.00 H new ATOM 681 N ALA A 45 -6.078 -11.256 20.674 1.00 0.00 N ATOM 682 CA ALA A 45 -7.011 -10.431 19.917 1.00 0.00 C ATOM 683 C ALA A 45 -6.500 -9.001 19.788 1.00 0.00 C ATOM 684 O ALA A 45 -7.225 -8.033 20.018 1.00 0.00 O ATOM 685 CB ALA A 45 -8.383 -10.446 20.576 1.00 0.00 C ATOM 0 H ALA A 45 -5.822 -10.876 21.585 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.097 -10.850 18.914 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.070 -9.826 20.000 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.759 -11.469 20.610 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.304 -10.054 21.590 1.00 0.00 H new ATOM 691 N PRO A 46 -5.220 -8.861 19.411 1.00 0.00 N ATOM 692 CA PRO A 46 -4.583 -7.552 19.243 1.00 0.00 C ATOM 693 C PRO A 46 -5.123 -6.795 18.035 1.00 0.00 C ATOM 694 O PRO A 46 -5.609 -7.398 17.078 1.00 0.00 O ATOM 695 CB PRO A 46 -3.106 -7.900 19.039 1.00 0.00 C ATOM 696 CG PRO A 46 -3.115 -9.285 18.491 1.00 0.00 C ATOM 697 CD PRO A 46 -4.297 -9.971 19.119 1.00 0.00 C ATOM 0 HA PRO A 46 -4.768 -6.897 20.094 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.627 -7.205 18.350 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.554 -7.849 19.978 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.202 -9.274 17.405 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.188 -9.806 18.732 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.745 -10.699 18.443 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.015 -10.508 20.025 1.00 0.00 H new ATOM 705 N VAL A 47 -5.036 -5.469 18.085 1.00 0.00 N ATOM 706 CA VAL A 47 -5.515 -4.629 16.993 1.00 0.00 C ATOM 707 C VAL A 47 -4.353 -4.041 16.202 1.00 0.00 C ATOM 708 O VAL A 47 -3.775 -3.025 16.589 1.00 0.00 O ATOM 709 CB VAL A 47 -6.400 -3.482 17.515 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.894 -2.622 16.362 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.568 -4.033 18.319 1.00 0.00 C ATOM 0 H VAL A 47 -4.638 -4.953 18.870 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.109 -5.267 16.339 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.800 -2.854 18.174 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.518 -1.817 16.750 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.041 -2.197 15.833 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.478 -3.235 15.675 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.183 -3.208 18.680 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.170 -4.684 17.686 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.189 -4.602 19.168 1.00 0.00 H new ATOM 721 N PHE A 48 -4.014 -4.686 15.090 1.00 0.00 N ATOM 722 CA PHE A 48 -2.920 -4.226 14.243 1.00 0.00 C ATOM 723 C PHE A 48 -3.384 -3.109 13.313 1.00 0.00 C ATOM 724 O PHE A 48 -4.047 -3.359 12.305 1.00 0.00 O ATOM 725 CB PHE A 48 -2.360 -5.390 13.422 1.00 0.00 C ATOM 726 CG PHE A 48 -1.447 -6.291 14.203 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.965 -7.265 15.042 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.072 -6.164 14.099 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.127 -8.095 15.762 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.771 -6.991 14.817 1.00 0.00 C ATOM 731 CZ PHE A 48 0.242 -7.959 15.649 1.00 0.00 C ATOM 0 H PHE A 48 -4.481 -5.528 14.755 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.134 -3.833 14.888 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.189 -5.979 13.029 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.818 -4.991 12.565 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.035 -7.377 15.134 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.347 -5.410 13.449 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.543 -8.850 16.413 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.842 -6.881 14.728 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.898 -8.608 16.210 1.00 0.00 H new ATOM 741 N THR A 49 -3.031 -1.875 13.658 1.00 0.00 N ATOM 742 CA THR A 49 -3.412 -0.719 12.857 1.00 0.00 C ATOM 743 C THR A 49 -2.362 -0.417 11.794 1.00 0.00 C ATOM 744 O THR A 49 -1.249 0.002 12.109 1.00 0.00 O ATOM 745 CB THR A 49 -3.612 0.532 13.734 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.542 0.249 14.786 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.118 1.701 12.903 1.00 0.00 C ATOM 0 H THR A 49 -2.481 -1.651 14.487 1.00 0.00 H new ATOM 0 HA THR A 49 -4.356 -0.968 12.372 1.00 0.00 H new ATOM 0 HB THR A 49 -2.649 0.804 14.165 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.110 -0.506 14.526 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.251 2.572 13.544 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.394 1.933 12.122 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.072 1.437 12.446 1.00 0.00 H new ATOM 755 N MET A 50 -2.724 -0.632 10.533 1.00 0.00 N ATOM 756 CA MET A 50 -1.813 -0.381 9.423 1.00 0.00 C ATOM 757 C MET A 50 -2.104 0.969 8.776 1.00 0.00 C ATOM 758 O MET A 50 -3.098 1.620 9.096 1.00 0.00 O ATOM 759 CB MET A 50 -1.926 -1.495 8.381 1.00 0.00 C ATOM 760 CG MET A 50 -0.969 -2.651 8.621 1.00 0.00 C ATOM 761 SD MET A 50 0.745 -2.220 8.267 1.00 0.00 S ATOM 762 CE MET A 50 1.607 -3.273 9.432 1.00 0.00 C ATOM 0 H MET A 50 -3.642 -0.979 10.255 1.00 0.00 H new ATOM 0 HA MET A 50 -0.797 -0.364 9.816 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.948 -1.875 8.377 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.737 -1.077 7.392 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.051 -2.976 9.658 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.263 -3.496 7.998 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.389 -2.700 9.931 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.902 -3.648 10.174 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.056 -4.112 8.901 1.00 0.00 H new ATOM 772 N SER A 51 -1.231 1.384 7.863 1.00 0.00 N ATOM 773 CA SER A 51 -1.393 2.658 7.173 1.00 0.00 C ATOM 774 C SER A 51 -0.492 2.729 5.944 1.00 0.00 C ATOM 775 O SER A 51 0.698 2.423 6.014 1.00 0.00 O ATOM 776 CB SER A 51 -1.077 3.818 8.120 1.00 0.00 C ATOM 777 OG SER A 51 0.318 3.927 8.344 1.00 0.00 O ATOM 0 H SER A 51 -0.404 0.856 7.584 1.00 0.00 H new ATOM 0 HA SER A 51 -2.430 2.737 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.455 4.749 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.590 3.667 9.070 1.00 0.00 H new ATOM 0 HG SER A 51 0.494 4.676 8.951 1.00 0.00 H new ATOM 783 N VAL A 52 -1.069 3.136 4.818 1.00 0.00 N ATOM 784 CA VAL A 52 -0.319 3.249 3.573 1.00 0.00 C ATOM 785 C VAL A 52 -0.657 4.545 2.844 1.00 0.00 C ATOM 786 O VAL A 52 -1.800 5.003 2.868 1.00 0.00 O ATOM 787 CB VAL A 52 -0.602 2.058 2.637 1.00 0.00 C ATOM 788 CG1 VAL A 52 -1.959 2.214 1.969 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.501 1.924 1.598 1.00 0.00 C ATOM 0 H VAL A 52 -2.053 3.393 4.742 1.00 0.00 H new ATOM 0 HA VAL A 52 0.738 3.250 3.839 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.621 1.146 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.141 1.364 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.737 2.257 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.973 3.134 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.285 1.078 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.554 2.836 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.455 1.761 2.099 1.00 0.00 H new ATOM 799 N ASP A 53 0.344 5.131 2.196 1.00 0.00 N ATOM 800 CA ASP A 53 0.153 6.374 1.457 1.00 0.00 C ATOM 801 C ASP A 53 0.063 6.107 -0.042 1.00 0.00 C ATOM 802 O ASP A 53 1.002 5.592 -0.649 1.00 0.00 O ATOM 803 CB ASP A 53 1.299 7.345 1.747 1.00 0.00 C ATOM 804 CG ASP A 53 2.648 6.787 1.339 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.208 5.971 2.100 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.145 7.167 0.257 1.00 0.00 O ATOM 0 H ASP A 53 1.296 4.765 2.167 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.785 6.822 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.121 8.281 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.313 7.579 2.812 1.00 0.00 H new ATOM 811 N VAL A 54 -1.074 6.460 -0.633 1.00 0.00 N ATOM 812 CA VAL A 54 -1.287 6.259 -2.062 1.00 0.00 C ATOM 813 C VAL A 54 -1.871 7.509 -2.711 1.00 0.00 C ATOM 814 O VAL A 54 -2.852 8.072 -2.226 1.00 0.00 O ATOM 815 CB VAL A 54 -2.228 5.069 -2.326 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.516 4.936 -3.814 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.629 3.784 -1.774 1.00 0.00 C ATOM 0 H VAL A 54 -1.862 6.886 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.312 6.047 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.172 5.253 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.182 4.090 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.990 5.848 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.582 4.774 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.307 2.953 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.671 3.592 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.479 3.885 -0.699 1.00 0.00 H new ATOM 827 N ASP A 55 -1.262 7.936 -3.812 1.00 0.00 N ATOM 828 CA ASP A 55 -1.723 9.119 -4.530 1.00 0.00 C ATOM 829 C ASP A 55 -1.990 10.270 -3.566 1.00 0.00 C ATOM 830 O ASP A 55 -3.035 10.916 -3.629 1.00 0.00 O ATOM 831 CB ASP A 55 -2.989 8.798 -5.325 1.00 0.00 C ATOM 832 CG ASP A 55 -3.138 9.671 -6.555 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.135 9.856 -7.276 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.257 10.169 -6.797 1.00 0.00 O ATOM 0 H ASP A 55 -0.449 7.481 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.937 9.423 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.969 7.751 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.860 8.928 -4.683 1.00 0.00 H new ATOM 839 N GLY A 56 -1.038 10.521 -2.673 1.00 0.00 N ATOM 840 CA GLY A 56 -1.190 11.593 -1.707 1.00 0.00 C ATOM 841 C GLY A 56 -2.375 11.380 -0.786 1.00 0.00 C ATOM 842 O GLY A 56 -2.994 12.340 -0.325 1.00 0.00 O ATOM 0 H GLY A 56 -0.164 10.001 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.281 11.673 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.309 12.539 -2.235 1.00 0.00 H new ATOM 846 N THR A 57 -2.694 10.118 -0.517 1.00 0.00 N ATOM 847 CA THR A 57 -3.814 9.782 0.352 1.00 0.00 C ATOM 848 C THR A 57 -3.418 8.723 1.375 1.00 0.00 C ATOM 849 O THR A 57 -3.210 7.559 1.031 1.00 0.00 O ATOM 850 CB THR A 57 -5.021 9.270 -0.458 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.357 10.211 -1.483 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.223 9.045 0.446 1.00 0.00 C ATOM 0 H THR A 57 -2.192 9.312 -0.889 1.00 0.00 H new ATOM 0 HA THR A 57 -4.096 10.698 0.871 1.00 0.00 H new ATOM 0 HB THR A 57 -4.748 8.319 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.689 10.167 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.062 8.684 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.973 8.306 1.207 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.497 9.984 0.928 1.00 0.00 H new ATOM 860 N THR A 58 -3.315 9.134 2.635 1.00 0.00 N ATOM 861 CA THR A 58 -2.943 8.221 3.709 1.00 0.00 C ATOM 862 C THR A 58 -4.150 7.432 4.203 1.00 0.00 C ATOM 863 O THR A 58 -5.057 7.989 4.821 1.00 0.00 O ATOM 864 CB THR A 58 -2.316 8.975 4.896 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.250 9.814 4.436 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.787 8.001 5.938 1.00 0.00 C ATOM 0 H THR A 58 -3.484 10.094 2.937 1.00 0.00 H new ATOM 0 HA THR A 58 -2.206 7.532 3.296 1.00 0.00 H new ATOM 0 HB THR A 58 -3.090 9.590 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.858 10.291 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.349 8.557 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.606 7.384 6.308 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.027 7.363 5.487 1.00 0.00 H new ATOM 874 N TYR A 59 -4.154 6.132 3.928 1.00 0.00 N ATOM 875 CA TYR A 59 -5.252 5.267 4.343 1.00 0.00 C ATOM 876 C TYR A 59 -4.943 4.599 5.680 1.00 0.00 C ATOM 877 O TYR A 59 -3.782 4.459 6.062 1.00 0.00 O ATOM 878 CB TYR A 59 -5.521 4.202 3.278 1.00 0.00 C ATOM 879 CG TYR A 59 -5.986 4.771 1.957 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.084 5.338 1.066 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.329 4.740 1.600 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.505 5.860 -0.142 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.759 5.258 0.394 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.844 5.817 -0.474 1.00 0.00 C ATOM 885 OH TYR A 59 -7.267 6.335 -1.676 1.00 0.00 O ATOM 0 H TYR A 59 -3.410 5.655 3.420 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.142 5.884 4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.611 3.625 3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.275 3.509 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.035 5.371 1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.048 4.304 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.791 6.299 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.806 5.226 0.132 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.551 6.248 -2.340 1.00 0.00 H new ATOM 895 N GLU A 60 -5.992 4.189 6.385 1.00 0.00 N ATOM 896 CA GLU A 60 -5.834 3.535 7.679 1.00 0.00 C ATOM 897 C GLU A 60 -6.859 2.419 7.854 1.00 0.00 C ATOM 898 O GLU A 60 -8.064 2.647 7.757 1.00 0.00 O ATOM 899 CB GLU A 60 -5.976 4.555 8.811 1.00 0.00 C ATOM 900 CG GLU A 60 -4.989 5.707 8.719 1.00 0.00 C ATOM 901 CD GLU A 60 -5.436 6.922 9.510 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.237 7.716 8.976 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.983 7.077 10.664 1.00 0.00 O ATOM 0 H GLU A 60 -6.960 4.298 6.083 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.837 3.097 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.990 4.955 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.841 4.047 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.016 5.378 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.859 5.986 7.674 1.00 0.00 H new ATOM 910 N ALA A 61 -6.370 1.210 8.113 1.00 0.00 N ATOM 911 CA ALA A 61 -7.243 0.058 8.303 1.00 0.00 C ATOM 912 C ALA A 61 -6.626 -0.944 9.273 1.00 0.00 C ATOM 913 O ALA A 61 -5.567 -1.511 9.004 1.00 0.00 O ATOM 914 CB ALA A 61 -7.535 -0.609 6.967 1.00 0.00 C ATOM 0 H ALA A 61 -5.375 1.003 8.196 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.180 0.411 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.188 -1.468 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.026 0.104 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.601 -0.942 6.514 1.00 0.00 H new ATOM 920 N SER A 62 -7.294 -1.156 10.402 1.00 0.00 N ATOM 921 CA SER A 62 -6.809 -2.086 11.414 1.00 0.00 C ATOM 922 C SER A 62 -7.528 -3.427 11.309 1.00 0.00 C ATOM 923 O SER A 62 -8.598 -3.525 10.711 1.00 0.00 O ATOM 924 CB SER A 62 -7.004 -1.498 12.813 1.00 0.00 C ATOM 925 OG SER A 62 -6.014 -1.973 13.709 1.00 0.00 O ATOM 0 H SER A 62 -8.173 -0.696 10.639 1.00 0.00 H new ATOM 0 HA SER A 62 -5.745 -2.249 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.961 -0.410 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.994 -1.761 13.187 1.00 0.00 H new ATOM 0 HG SER A 62 -6.070 -2.949 13.771 1.00 0.00 H new ATOM 931 N GLY A 63 -6.930 -4.460 11.896 1.00 0.00 N ATOM 932 CA GLY A 63 -7.527 -5.782 11.858 1.00 0.00 C ATOM 933 C GLY A 63 -7.059 -6.663 12.999 1.00 0.00 C ATOM 934 O GLY A 63 -6.310 -6.233 13.877 1.00 0.00 O ATOM 0 H GLY A 63 -6.043 -4.404 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.612 -5.688 11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.282 -6.261 10.910 1.00 0.00 H new ATOM 938 N PRO A 64 -7.506 -7.928 12.997 1.00 0.00 N ATOM 939 CA PRO A 64 -7.142 -8.898 14.035 1.00 0.00 C ATOM 940 C PRO A 64 -5.676 -9.312 13.952 1.00 0.00 C ATOM 941 O PRO A 64 -5.116 -9.842 14.911 1.00 0.00 O ATOM 942 CB PRO A 64 -8.053 -10.092 13.740 1.00 0.00 C ATOM 943 CG PRO A 64 -8.364 -9.981 12.287 1.00 0.00 C ATOM 944 CD PRO A 64 -8.401 -8.509 11.983 1.00 0.00 C ATOM 0 HA PRO A 64 -7.265 -8.488 15.038 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.556 -11.035 13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.960 -10.056 14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.607 -10.485 11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.320 -10.452 12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.053 -8.299 10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.411 -8.108 12.062 1.00 0.00 H new ATOM 952 N SER A 65 -5.061 -9.067 12.800 1.00 0.00 N ATOM 953 CA SER A 65 -3.661 -9.418 12.591 1.00 0.00 C ATOM 954 C SER A 65 -3.000 -8.455 11.609 1.00 0.00 C ATOM 955 O SER A 65 -3.678 -7.729 10.882 1.00 0.00 O ATOM 956 CB SER A 65 -3.545 -10.853 12.072 1.00 0.00 C ATOM 957 OG SER A 65 -3.675 -11.789 13.128 1.00 0.00 O ATOM 0 H SER A 65 -5.510 -8.627 11.997 1.00 0.00 H new ATOM 0 HA SER A 65 -3.146 -9.343 13.549 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.316 -11.036 11.323 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.583 -10.988 11.579 1.00 0.00 H new ATOM 0 HG SER A 65 -4.040 -11.341 13.919 1.00 0.00 H new ATOM 963 N LYS A 66 -1.672 -8.455 11.594 1.00 0.00 N ATOM 964 CA LYS A 66 -0.916 -7.584 10.702 1.00 0.00 C ATOM 965 C LYS A 66 -1.335 -7.796 9.250 1.00 0.00 C ATOM 966 O LYS A 66 -1.622 -6.839 8.530 1.00 0.00 O ATOM 967 CB LYS A 66 0.584 -7.842 10.853 1.00 0.00 C ATOM 968 CG LYS A 66 1.448 -6.654 10.466 1.00 0.00 C ATOM 969 CD LYS A 66 2.897 -6.862 10.874 1.00 0.00 C ATOM 970 CE LYS A 66 3.094 -6.636 12.366 1.00 0.00 C ATOM 971 NZ LYS A 66 4.521 -6.378 12.704 1.00 0.00 N ATOM 0 H LYS A 66 -1.096 -9.049 12.190 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.130 -6.551 10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.795 -8.112 11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.861 -8.698 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.391 -6.497 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.061 -5.752 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.208 -7.874 10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.536 -6.179 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.486 -5.791 12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.743 -7.510 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.614 -6.229 13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.098 -7.195 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.849 -5.530 12.200 1.00 0.00 H new ATOM 985 N LYS A 67 -1.370 -9.055 8.827 1.00 0.00 N ATOM 986 CA LYS A 67 -1.757 -9.394 7.463 1.00 0.00 C ATOM 987 C LYS A 67 -3.111 -8.783 7.114 1.00 0.00 C ATOM 988 O LYS A 67 -3.220 -7.976 6.190 1.00 0.00 O ATOM 989 CB LYS A 67 -1.811 -10.913 7.288 1.00 0.00 C ATOM 990 CG LYS A 67 -2.489 -11.354 6.003 1.00 0.00 C ATOM 991 CD LYS A 67 -2.758 -12.850 5.999 1.00 0.00 C ATOM 992 CE LYS A 67 -1.477 -13.645 5.794 1.00 0.00 C ATOM 993 NZ LYS A 67 -1.745 -14.981 5.193 1.00 0.00 N ATOM 0 H LYS A 67 -1.135 -9.858 9.410 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.007 -8.983 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.796 -11.309 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.339 -11.349 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.428 -10.814 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.860 -11.094 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.221 -13.140 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.468 -13.091 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.801 -13.085 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.971 -13.772 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.848 -15.492 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.370 -15.525 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.205 -14.860 4.268 1.00 0.00 H new ATOM 1007 N THR A 68 -4.141 -9.172 7.859 1.00 0.00 N ATOM 1008 CA THR A 68 -5.486 -8.663 7.629 1.00 0.00 C ATOM 1009 C THR A 68 -5.485 -7.145 7.494 1.00 0.00 C ATOM 1010 O THR A 68 -6.155 -6.589 6.624 1.00 0.00 O ATOM 1011 CB THR A 68 -6.442 -9.064 8.769 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.828 -8.805 10.036 1.00 0.00 O ATOM 1013 CG2 THR A 68 -6.813 -10.536 8.671 1.00 0.00 C ATOM 0 H THR A 68 -4.068 -9.839 8.628 1.00 0.00 H new ATOM 0 HA THR A 68 -5.836 -9.108 6.697 1.00 0.00 H new ATOM 0 HB THR A 68 -7.351 -8.470 8.678 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.917 -8.472 9.896 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.488 -10.796 9.486 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.306 -10.724 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.911 -11.144 8.739 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.726 -6.479 8.359 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.635 -5.025 8.334 1.00 0.00 C ATOM 1023 C ALA A 69 -4.103 -4.531 6.993 1.00 0.00 C ATOM 1024 O ALA A 69 -4.676 -3.630 6.379 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.750 -4.532 9.469 1.00 0.00 C ATOM 0 H ALA A 69 -4.165 -6.924 9.086 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.638 -4.621 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.691 -3.444 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.174 -4.845 10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.750 -4.953 9.360 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.004 -5.126 6.542 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.394 -4.748 5.273 1.00 0.00 C ATOM 1033 C LYS A 70 -3.369 -4.952 4.118 1.00 0.00 C ATOM 1034 O LYS A 70 -3.392 -4.170 3.166 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.123 -5.565 5.031 1.00 0.00 C ATOM 1036 CG LYS A 70 0.133 -4.915 5.587 1.00 0.00 C ATOM 1037 CD LYS A 70 1.189 -5.951 5.936 1.00 0.00 C ATOM 1038 CE LYS A 70 1.924 -6.437 4.697 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.218 -7.089 5.040 1.00 0.00 N ATOM 0 H LYS A 70 -2.517 -5.873 7.037 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.135 -3.690 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.243 -6.550 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.998 -5.719 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.536 -4.215 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.118 -4.337 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.903 -5.522 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.718 -6.797 6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.294 -7.142 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.107 -5.595 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.689 -7.406 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.829 -6.409 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.041 -7.908 5.656 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.174 -6.004 4.209 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.154 -6.310 3.172 1.00 0.00 C ATOM 1055 C LEU A 71 -6.327 -5.336 3.228 1.00 0.00 C ATOM 1056 O LEU A 71 -6.796 -4.854 2.196 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.660 -7.745 3.328 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.752 -8.181 2.351 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.139 -8.663 1.045 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.617 -9.270 2.969 1.00 0.00 C ATOM 0 H LEU A 71 -4.168 -6.660 4.990 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.666 -6.207 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.812 -8.422 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.038 -7.867 4.343 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.385 -7.320 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.932 -8.969 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.563 -7.855 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.483 -9.511 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.389 -9.568 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.997 -10.132 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.086 -8.891 3.877 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.796 -5.051 4.438 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.913 -4.132 4.628 1.00 0.00 C ATOM 1074 C HIS A 72 -7.620 -2.780 3.985 1.00 0.00 C ATOM 1075 O HIS A 72 -8.347 -2.332 3.099 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.202 -3.949 6.119 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.775 -5.169 6.772 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -8.779 -6.464 6.378 1.00 0.00 N flip ATOM 1079 CD2 HIS A 72 -9.442 -5.134 7.978 1.00 0.00 C flip ATOM 1080 CE1 HIS A 72 -9.440 -7.181 7.345 1.00 0.00 C flip ATOM 1081 NE2 HIS A 72 -9.830 -6.355 8.300 1.00 0.00 N flip ATOM 0 H HIS A 72 -6.420 -5.443 5.302 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.791 -4.561 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.279 -3.674 6.629 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.896 -3.118 6.247 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.620 -4.247 8.568 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.613 -8.247 7.328 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.343 -6.616 9.142 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.550 -2.133 4.439 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.161 -0.833 3.908 1.00 0.00 C ATOM 1092 C VAL A 73 -6.340 -0.781 2.395 1.00 0.00 C ATOM 1093 O VAL A 73 -7.054 0.074 1.873 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.697 -0.501 4.253 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.212 0.687 3.436 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.549 -0.231 5.742 1.00 0.00 C ATOM 0 H VAL A 73 -5.938 -2.489 5.173 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.813 -0.093 4.373 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.078 -1.362 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.176 0.907 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.280 0.450 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.832 1.556 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.508 0.002 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.179 0.613 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.853 -1.114 6.304 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.685 -1.702 1.696 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.774 -1.764 0.242 1.00 0.00 C ATOM 1108 C ALA A 74 -7.220 -1.634 -0.226 1.00 0.00 C ATOM 1109 O ALA A 74 -7.543 -0.773 -1.044 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.166 -3.061 -0.270 1.00 0.00 C ATOM 0 H ALA A 74 -5.087 -2.415 2.113 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.210 -0.926 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.240 -3.093 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.118 -3.113 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.704 -3.908 0.155 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.086 -2.496 0.297 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.497 -2.478 -0.067 1.00 0.00 C ATOM 1118 C VAL A 75 -10.037 -1.053 -0.104 1.00 0.00 C ATOM 1119 O VAL A 75 -10.688 -0.648 -1.068 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.342 -3.309 0.917 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.811 -3.271 0.525 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.834 -4.742 0.976 1.00 0.00 C ATOM 0 H VAL A 75 -7.835 -3.216 0.975 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.572 -2.919 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.245 -2.872 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.392 -3.864 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.165 -2.240 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.931 -3.682 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.442 -5.315 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.899 -5.192 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.796 -4.747 1.309 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.761 -0.294 0.951 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.217 1.088 1.040 1.00 0.00 C ATOM 1134 C LYS A 76 -9.742 1.896 -0.163 1.00 0.00 C ATOM 1135 O LYS A 76 -10.533 2.570 -0.823 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.709 1.732 2.333 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.285 1.107 3.591 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.477 1.484 4.821 1.00 0.00 C ATOM 1139 CE LYS A 76 -9.990 2.770 5.451 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.080 2.511 6.432 1.00 0.00 N ATOM 0 H LYS A 76 -9.223 -0.613 1.757 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.307 1.085 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.622 1.656 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.954 2.794 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.318 1.431 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.302 0.022 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.524 0.676 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.429 1.605 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.168 3.283 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.355 3.436 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.402 3.412 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.875 2.044 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.725 1.896 7.191 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.445 1.823 -0.445 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.865 2.545 -1.571 1.00 0.00 C ATOM 1156 C VAL A 77 -8.650 2.287 -2.852 1.00 0.00 C ATOM 1157 O VAL A 77 -9.102 3.222 -3.516 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.394 2.149 -1.795 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.770 3.006 -2.886 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.608 2.267 -0.498 1.00 0.00 C ATOM 0 H VAL A 77 -7.776 1.271 0.091 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.914 3.606 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.361 1.109 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.730 2.712 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.319 2.866 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.813 4.055 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.570 1.983 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.647 3.296 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.042 1.606 0.252 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.810 1.014 -3.195 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.541 0.631 -4.398 1.00 0.00 C ATOM 1172 C LEU A 78 -10.940 1.240 -4.401 1.00 0.00 C ATOM 1173 O LEU A 78 -11.388 1.783 -5.410 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.635 -0.892 -4.499 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.309 -1.651 -4.443 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.551 -3.152 -4.483 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.403 -1.226 -5.589 1.00 0.00 C ATOM 0 H LEU A 78 -8.443 0.229 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.996 1.013 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.271 -1.251 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.136 -1.144 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.813 -1.408 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.596 -3.676 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.162 -3.445 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.069 -3.413 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.464 -1.776 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.893 -1.440 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.202 -0.157 -5.517 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.623 1.146 -3.265 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.970 1.689 -3.137 1.00 0.00 C ATOM 1191 C GLN A 79 -12.981 3.189 -3.411 1.00 0.00 C ATOM 1192 O GLN A 79 -13.907 3.709 -4.033 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.525 1.410 -1.738 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.955 -0.033 -1.531 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.533 -0.277 -0.151 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -14.099 0.324 0.832 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.518 -1.164 -0.070 1.00 0.00 N ATOM 0 H GLN A 79 -11.266 0.699 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.603 1.199 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.766 1.664 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.378 2.064 -1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.697 -0.299 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.098 -0.689 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.847 -1.639 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.946 -1.370 0.833 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.946 3.879 -2.942 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.836 5.319 -3.139 1.00 0.00 C ATOM 1208 C ALA A 80 -11.815 5.670 -4.622 1.00 0.00 C ATOM 1209 O ALA A 80 -12.564 6.536 -5.075 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.588 5.851 -2.450 1.00 0.00 C ATOM 0 H ALA A 80 -11.172 3.464 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.712 5.790 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.518 6.928 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.645 5.641 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.706 5.366 -2.869 1.00 0.00 H new ATOM 1216 N MET A 81 -10.953 4.994 -5.374 1.00 0.00 N ATOM 1217 CA MET A 81 -10.836 5.236 -6.807 1.00 0.00 C ATOM 1218 C MET A 81 -12.092 4.776 -7.541 1.00 0.00 C ATOM 1219 O MET A 81 -12.454 5.329 -8.578 1.00 0.00 O ATOM 1220 CB MET A 81 -9.610 4.514 -7.369 1.00 0.00 C ATOM 1221 CG MET A 81 -8.334 4.783 -6.587 1.00 0.00 C ATOM 1222 SD MET A 81 -6.855 4.673 -7.612 1.00 0.00 S ATOM 1223 CE MET A 81 -5.840 3.575 -6.624 1.00 0.00 C ATOM 0 H MET A 81 -10.325 4.275 -5.015 1.00 0.00 H new ATOM 0 HA MET A 81 -10.719 6.309 -6.960 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.802 3.441 -7.377 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.462 4.819 -8.405 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.389 5.776 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.257 4.068 -5.767 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.844 3.508 -7.062 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.764 3.965 -5.609 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.293 2.584 -6.599 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.752 3.759 -6.994 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.960 3.242 -7.611 1.00 0.00 C ATOM 1235 C GLY A 82 -13.746 1.889 -8.260 1.00 0.00 C ATOM 1236 O GLY A 82 -14.333 1.593 -9.300 1.00 0.00 O ATOM 0 H GLY A 82 -12.472 3.285 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.743 3.160 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.313 3.950 -8.361 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.903 1.067 -7.646 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.609 -0.260 -8.173 1.00 0.00 C ATOM 1242 C TYR A 83 -13.407 -1.329 -7.432 1.00 0.00 C ATOM 1243 O TYR A 83 -13.827 -1.146 -6.289 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.113 -0.557 -8.062 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.287 0.075 -9.159 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.348 -0.401 -10.463 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.446 1.148 -8.893 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.595 0.172 -11.469 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.690 1.729 -9.893 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.768 1.237 -11.179 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.016 1.812 -12.178 1.00 0.00 O ATOM 0 H TYR A 83 -12.411 1.296 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.899 -0.278 -9.224 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.752 -0.203 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.963 -1.636 -8.082 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.996 -1.234 -10.694 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.382 1.535 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.653 -0.212 -12.477 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.042 2.563 -9.669 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.489 2.550 -11.807 1.00 0.00 H new