USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 CYS SG : rot 160:sc= -1.95! USER MOD Single : A 1 MET CE :methyl -163:sc=-0.00939 (180deg=-0.214) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 29:sc= 0.114 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 18 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -3.53! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0682 X(o=-0.068,f=-0.48) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc=-0.00425 (180deg=-0.0915) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 62 SER OG : rot 77:sc= 0.244 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 78 SER OG : rot 160:sc= -0.222 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.028 -0.860 -4.422 1.00 0.00 N ATOM 2 CA MET A 1 -1.341 -1.251 -3.197 1.00 0.00 C ATOM 3 C MET A 1 -0.464 -2.477 -3.433 1.00 0.00 C ATOM 4 O MET A 1 -0.891 -3.609 -3.209 1.00 0.00 O ATOM 5 CB MET A 1 -2.354 -1.540 -2.088 1.00 0.00 C ATOM 6 CG MET A 1 -1.713 -1.900 -0.758 1.00 0.00 C ATOM 7 SD MET A 1 -2.807 -1.600 0.644 1.00 0.00 S ATOM 8 CE MET A 1 -2.745 0.187 0.746 1.00 0.00 C ATOM 0 H1 MET A 1 -2.618 -0.024 -4.237 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.327 -0.633 -5.156 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.629 -1.643 -4.748 1.00 0.00 H new ATOM 0 HA MET A 1 -0.702 -0.423 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.989 -0.665 -1.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.002 -2.358 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.425 -2.951 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.799 -1.320 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.111 0.509 1.721 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.716 0.523 0.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.369 0.618 -0.037 1.00 0.00 H new ATOM 18 N GLY A 2 0.763 -2.243 -3.887 1.00 0.00 N ATOM 19 CA GLY A 2 1.679 -3.338 -4.146 1.00 0.00 C ATOM 20 C GLY A 2 2.459 -3.151 -5.433 1.00 0.00 C ATOM 21 O GLY A 2 1.972 -2.528 -6.377 1.00 0.00 O ATOM 0 H GLY A 2 1.139 -1.315 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.376 -3.429 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.119 -4.272 -4.197 1.00 0.00 H new ATOM 25 N VAL A 3 3.674 -3.688 -5.471 1.00 0.00 N ATOM 26 CA VAL A 3 4.523 -3.576 -6.651 1.00 0.00 C ATOM 27 C VAL A 3 5.735 -4.495 -6.545 1.00 0.00 C ATOM 28 O VAL A 3 6.448 -4.487 -5.541 1.00 0.00 O ATOM 29 CB VAL A 3 5.006 -2.129 -6.859 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.735 -1.626 -5.622 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.899 -2.037 -8.088 1.00 0.00 C ATOM 0 H VAL A 3 4.093 -4.205 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 3 3.918 -3.875 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 3 4.135 -1.494 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.069 -0.602 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.061 -1.654 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.598 -2.262 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.231 -1.007 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.766 -2.684 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.340 -2.353 -8.969 1.00 0.00 H new ATOM 41 N LEU A 4 5.962 -5.287 -7.587 1.00 0.00 N ATOM 42 CA LEU A 4 7.089 -6.213 -7.613 1.00 0.00 C ATOM 43 C LEU A 4 8.040 -5.882 -8.760 1.00 0.00 C ATOM 44 O LEU A 4 7.614 -5.413 -9.815 1.00 0.00 O ATOM 45 CB LEU A 4 6.590 -7.652 -7.748 1.00 0.00 C ATOM 46 CG LEU A 4 5.346 -7.852 -8.615 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.652 -7.530 -10.070 1.00 0.00 C ATOM 48 CD2 LEU A 4 4.825 -9.275 -8.480 1.00 0.00 C ATOM 0 H LEU A 4 5.381 -5.307 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 4 7.633 -6.111 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.397 -8.258 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.379 -8.037 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 4 4.571 -7.168 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.755 -7.678 -10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.977 -6.493 -10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.443 -8.188 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.940 -9.399 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.596 -9.976 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.566 -9.470 -7.439 1.00 0.00 H new ATOM 60 N ARG A 5 9.327 -6.132 -8.545 1.00 0.00 N ATOM 61 CA ARG A 5 10.337 -5.862 -9.561 1.00 0.00 C ATOM 62 C ARG A 5 11.716 -6.318 -9.091 1.00 0.00 C ATOM 63 O ARG A 5 11.853 -6.921 -8.027 1.00 0.00 O ATOM 64 CB ARG A 5 10.368 -4.370 -9.896 1.00 0.00 C ATOM 65 CG ARG A 5 10.592 -3.479 -8.686 1.00 0.00 C ATOM 66 CD ARG A 5 11.330 -2.203 -9.062 1.00 0.00 C ATOM 67 NE ARG A 5 10.436 -1.205 -9.643 1.00 0.00 N ATOM 68 CZ ARG A 5 10.775 0.066 -9.827 1.00 0.00 C ATOM 69 NH1 ARG A 5 11.981 0.491 -9.478 1.00 0.00 N ATOM 70 NH2 ARG A 5 9.906 0.915 -10.362 1.00 0.00 N ATOM 0 H ARG A 5 9.695 -6.521 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 5 10.074 -6.423 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.159 -4.186 -10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.427 -4.093 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.632 -3.226 -8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.163 -4.023 -7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.810 -1.788 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.122 -2.438 -9.773 1.00 0.00 H new ATOM 0 HE ARG A 5 9.501 -1.500 -9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.651 -0.159 -9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.239 1.468 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.977 0.591 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.167 1.891 -10.503 1.00 0.00 H new ATOM 84 N VAL A 6 12.735 -6.025 -9.893 1.00 0.00 N ATOM 85 CA VAL A 6 14.103 -6.404 -9.560 1.00 0.00 C ATOM 86 C VAL A 6 14.760 -5.358 -8.667 1.00 0.00 C ATOM 87 O VAL A 6 14.673 -4.159 -8.928 1.00 0.00 O ATOM 88 CB VAL A 6 14.958 -6.592 -10.827 1.00 0.00 C ATOM 89 CG1 VAL A 6 14.928 -5.334 -11.683 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.387 -6.960 -10.456 1.00 0.00 C ATOM 0 H VAL A 6 12.639 -5.526 -10.778 1.00 0.00 H new ATOM 0 HA VAL A 6 14.048 -7.352 -9.025 1.00 0.00 H new ATOM 0 HB VAL A 6 14.536 -7.410 -11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.538 -5.485 -12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.901 -5.119 -11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.324 -4.495 -11.111 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.977 -7.089 -11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.822 -6.165 -9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.387 -7.890 -9.888 1.00 0.00 H new ATOM 100 N GLY A 7 15.421 -5.821 -7.609 1.00 0.00 N ATOM 101 CA GLY A 7 16.084 -4.912 -6.693 1.00 0.00 C ATOM 102 C GLY A 7 15.422 -4.877 -5.330 1.00 0.00 C ATOM 103 O GLY A 7 16.027 -4.443 -4.348 1.00 0.00 O ATOM 0 H GLY A 7 15.509 -6.809 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.126 -5.211 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.085 -3.909 -7.119 1.00 0.00 H new ATOM 107 N LEU A 8 14.177 -5.334 -5.267 1.00 0.00 N ATOM 108 CA LEU A 8 13.430 -5.352 -4.014 1.00 0.00 C ATOM 109 C LEU A 8 13.945 -6.451 -3.089 1.00 0.00 C ATOM 110 O LEU A 8 14.071 -6.250 -1.881 1.00 0.00 O ATOM 111 CB LEU A 8 11.939 -5.559 -4.288 1.00 0.00 C ATOM 112 CG LEU A 8 11.363 -4.790 -5.478 1.00 0.00 C ATOM 113 CD1 LEU A 8 9.869 -5.042 -5.603 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.645 -3.301 -5.339 1.00 0.00 C ATOM 0 H LEU A 8 13.663 -5.697 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 8 13.573 -4.390 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.764 -6.623 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.383 -5.276 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 8 11.848 -5.147 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.476 -4.487 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.691 -6.107 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.367 -4.713 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.228 -2.770 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.188 -2.928 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.722 -3.137 -5.300 1.00 0.00 H new ATOM 126 N CYS A 9 14.243 -7.610 -3.665 1.00 0.00 N ATOM 127 CA CYS A 9 14.747 -8.740 -2.892 1.00 0.00 C ATOM 128 C CYS A 9 15.682 -9.601 -3.735 1.00 0.00 C ATOM 129 O CYS A 9 15.674 -9.549 -4.965 1.00 0.00 O ATOM 130 CB CYS A 9 13.585 -9.587 -2.372 1.00 0.00 C ATOM 131 SG CYS A 9 12.971 -9.080 -0.749 1.00 0.00 S ATOM 0 H CYS A 9 14.145 -7.792 -4.664 1.00 0.00 H new ATOM 0 HA CYS A 9 15.309 -8.347 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.766 -9.540 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.903 -10.628 -2.319 1.00 0.00 H new ATOM 0 HG CYS A 9 13.171 -7.806 -0.588 1.00 0.00 H new ATOM 137 N PRO A 10 16.511 -10.411 -3.059 1.00 0.00 N ATOM 138 CA PRO A 10 17.469 -11.298 -3.726 1.00 0.00 C ATOM 139 C PRO A 10 16.783 -12.447 -4.457 1.00 0.00 C ATOM 140 O PRO A 10 15.666 -12.834 -4.117 1.00 0.00 O ATOM 141 CB PRO A 10 18.321 -11.831 -2.572 1.00 0.00 C ATOM 142 CG PRO A 10 17.440 -11.735 -1.374 1.00 0.00 C ATOM 143 CD PRO A 10 16.575 -10.524 -1.593 1.00 0.00 C ATOM 0 HA PRO A 10 18.043 -10.776 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.633 -12.860 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.228 -11.241 -2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.833 -12.633 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.030 -11.634 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.585 -10.653 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.009 -9.633 -1.140 1.00 0.00 H new ATOM 151 N GLY A 11 17.461 -12.990 -5.464 1.00 0.00 N ATOM 152 CA GLY A 11 16.902 -14.090 -6.227 1.00 0.00 C ATOM 153 C GLY A 11 16.291 -13.635 -7.538 1.00 0.00 C ATOM 154 O GLY A 11 16.487 -14.268 -8.576 1.00 0.00 O ATOM 0 H GLY A 11 18.388 -12.687 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.684 -14.822 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.141 -14.592 -5.630 1.00 0.00 H new ATOM 158 N LEU A 12 15.546 -12.536 -7.491 1.00 0.00 N ATOM 159 CA LEU A 12 14.903 -11.997 -8.684 1.00 0.00 C ATOM 160 C LEU A 12 15.890 -11.183 -9.515 1.00 0.00 C ATOM 161 O LEU A 12 16.618 -10.342 -8.987 1.00 0.00 O ATOM 162 CB LEU A 12 13.708 -11.125 -8.293 1.00 0.00 C ATOM 163 CG LEU A 12 12.354 -11.832 -8.227 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.896 -12.239 -9.619 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.430 -13.046 -7.313 1.00 0.00 C ATOM 0 H LEU A 12 15.372 -12.001 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 12 14.553 -12.834 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.911 -10.681 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.633 -10.305 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 12 11.623 -11.137 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.931 -12.741 -9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.801 -11.352 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.627 -12.917 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.457 -13.537 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.175 -13.744 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.712 -12.729 -6.309 1.00 0.00 H new ATOM 177 N THR A 13 15.908 -11.438 -10.820 1.00 0.00 N ATOM 178 CA THR A 13 16.805 -10.729 -11.724 1.00 0.00 C ATOM 179 C THR A 13 16.027 -9.823 -12.671 1.00 0.00 C ATOM 180 O THR A 13 14.839 -10.037 -12.913 1.00 0.00 O ATOM 181 CB THR A 13 17.656 -11.709 -12.553 1.00 0.00 C ATOM 182 OG1 THR A 13 18.572 -10.984 -13.381 1.00 0.00 O ATOM 183 CG2 THR A 13 16.773 -12.593 -13.421 1.00 0.00 C ATOM 0 H THR A 13 15.312 -12.130 -11.274 1.00 0.00 H new ATOM 0 HA THR A 13 17.464 -10.122 -11.104 1.00 0.00 H new ATOM 0 HB THR A 13 18.213 -12.343 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.110 -11.615 -13.903 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.397 -13.277 -13.997 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.096 -13.166 -12.787 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.192 -11.971 -14.102 1.00 0.00 H new ATOM 191 N GLU A 14 16.704 -8.811 -13.205 1.00 0.00 N ATOM 192 CA GLU A 14 16.074 -7.873 -14.126 1.00 0.00 C ATOM 193 C GLU A 14 15.519 -8.599 -15.348 1.00 0.00 C ATOM 194 O GLU A 14 14.558 -8.145 -15.969 1.00 0.00 O ATOM 195 CB GLU A 14 17.078 -6.805 -14.566 1.00 0.00 C ATOM 196 CG GLU A 14 16.500 -5.791 -15.540 1.00 0.00 C ATOM 197 CD GLU A 14 15.604 -4.774 -14.860 1.00 0.00 C ATOM 198 OE1 GLU A 14 16.115 -3.996 -14.028 1.00 0.00 O ATOM 199 OE2 GLU A 14 14.392 -4.757 -15.159 1.00 0.00 O ATOM 0 H GLU A 14 17.688 -8.620 -13.016 1.00 0.00 H new ATOM 0 HA GLU A 14 15.247 -7.392 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.447 -6.280 -13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.936 -7.293 -15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.315 -5.272 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.931 -6.314 -16.309 1.00 0.00 H new ATOM 206 N GLU A 15 16.131 -9.729 -15.686 1.00 0.00 N ATOM 207 CA GLU A 15 15.699 -10.518 -16.835 1.00 0.00 C ATOM 208 C GLU A 15 14.289 -11.059 -16.623 1.00 0.00 C ATOM 209 O GLU A 15 13.454 -11.018 -17.526 1.00 0.00 O ATOM 210 CB GLU A 15 16.670 -11.674 -17.082 1.00 0.00 C ATOM 211 CG GLU A 15 16.713 -12.135 -18.529 1.00 0.00 C ATOM 212 CD GLU A 15 17.649 -11.298 -19.380 1.00 0.00 C ATOM 213 OE1 GLU A 15 18.395 -10.476 -18.807 1.00 0.00 O ATOM 214 OE2 GLU A 15 17.635 -11.465 -20.617 1.00 0.00 O ATOM 0 H GLU A 15 16.927 -10.119 -15.181 1.00 0.00 H new ATOM 0 HA GLU A 15 15.692 -9.867 -17.709 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.671 -11.368 -16.777 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.388 -12.516 -16.450 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.029 -13.177 -18.565 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.709 -12.092 -18.950 1.00 0.00 H new ATOM 221 N MET A 16 14.030 -11.567 -15.422 1.00 0.00 N ATOM 222 CA MET A 16 12.721 -12.117 -15.090 1.00 0.00 C ATOM 223 C MET A 16 11.647 -11.034 -15.144 1.00 0.00 C ATOM 224 O MET A 16 10.491 -11.309 -15.465 1.00 0.00 O ATOM 225 CB MET A 16 12.749 -12.755 -13.701 1.00 0.00 C ATOM 226 CG MET A 16 12.365 -14.226 -13.700 1.00 0.00 C ATOM 227 SD MET A 16 10.657 -14.498 -14.209 1.00 0.00 S ATOM 228 CE MET A 16 10.070 -15.546 -12.880 1.00 0.00 C ATOM 0 H MET A 16 14.710 -11.609 -14.663 1.00 0.00 H new ATOM 0 HA MET A 16 12.478 -12.882 -15.828 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.749 -12.649 -13.281 1.00 0.00 H new ATOM 0 HB3 MET A 16 12.069 -12.210 -13.046 1.00 0.00 H new ATOM 0 HG2 MET A 16 13.031 -14.772 -14.369 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.512 -14.635 -12.700 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.024 -15.801 -13.052 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.665 -16.459 -12.846 1.00 0.00 H new ATOM 0 HE3 MET A 16 10.163 -15.017 -11.931 1.00 0.00 H new ATOM 238 N ILE A 17 12.038 -9.804 -14.826 1.00 0.00 N ATOM 239 CA ILE A 17 11.108 -8.681 -14.839 1.00 0.00 C ATOM 240 C ILE A 17 10.539 -8.454 -16.235 1.00 0.00 C ATOM 241 O ILE A 17 9.356 -8.156 -16.392 1.00 0.00 O ATOM 242 CB ILE A 17 11.785 -7.385 -14.355 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.531 -7.632 -13.043 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.753 -6.280 -14.185 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.660 -8.218 -11.954 1.00 0.00 C ATOM 0 H ILE A 17 12.991 -9.560 -14.557 1.00 0.00 H new ATOM 0 HA ILE A 17 10.297 -8.935 -14.156 1.00 0.00 H new ATOM 0 HB ILE A 17 12.508 -7.068 -15.107 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.367 -8.306 -13.231 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.954 -6.691 -12.692 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.247 -5.371 -13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.263 -6.089 -15.140 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.009 -6.587 -13.450 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.255 -8.367 -11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.839 -7.535 -11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.258 -9.175 -12.285 1.00 0.00 H new ATOM 257 N GLN A 18 11.390 -8.600 -17.246 1.00 0.00 N ATOM 258 CA GLN A 18 10.971 -8.412 -18.630 1.00 0.00 C ATOM 259 C GLN A 18 9.845 -9.375 -18.993 1.00 0.00 C ATOM 260 O GLN A 18 8.917 -9.015 -19.718 1.00 0.00 O ATOM 261 CB GLN A 18 12.156 -8.615 -19.575 1.00 0.00 C ATOM 262 CG GLN A 18 11.980 -7.937 -20.925 1.00 0.00 C ATOM 263 CD GLN A 18 13.215 -8.046 -21.798 1.00 0.00 C ATOM 264 OE1 GLN A 18 13.687 -7.054 -22.353 1.00 0.00 O ATOM 265 NE2 GLN A 18 13.745 -9.257 -21.924 1.00 0.00 N ATOM 0 H GLN A 18 12.373 -8.848 -17.133 1.00 0.00 H new ATOM 0 HA GLN A 18 10.601 -7.392 -18.736 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.059 -8.231 -19.100 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.307 -9.683 -19.731 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.132 -8.384 -21.444 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.741 -6.885 -20.771 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.321 -10.052 -21.446 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.577 -9.392 -22.499 1.00 0.00 H new ATOM 274 N LEU A 19 9.934 -10.599 -18.486 1.00 0.00 N ATOM 275 CA LEU A 19 8.922 -11.615 -18.757 1.00 0.00 C ATOM 276 C LEU A 19 7.551 -11.163 -18.264 1.00 0.00 C ATOM 277 O LEU A 19 6.539 -11.370 -18.935 1.00 0.00 O ATOM 278 CB LEU A 19 9.306 -12.937 -18.089 1.00 0.00 C ATOM 279 CG LEU A 19 10.279 -13.824 -18.868 1.00 0.00 C ATOM 280 CD1 LEU A 19 9.521 -14.867 -19.673 1.00 0.00 C ATOM 281 CD2 LEU A 19 11.158 -12.980 -19.778 1.00 0.00 C ATOM 0 H LEU A 19 10.696 -10.913 -17.885 1.00 0.00 H new ATOM 0 HA LEU A 19 8.870 -11.762 -19.836 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.746 -12.716 -17.117 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.395 -13.506 -17.904 1.00 0.00 H new ATOM 0 HG LEU A 19 10.921 -14.341 -18.155 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.229 -15.489 -20.221 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.935 -15.492 -18.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.855 -14.369 -20.377 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.844 -13.628 -20.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.532 -12.435 -20.485 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.729 -12.271 -19.178 1.00 0.00 H new ATOM 293 N LEU A 20 7.525 -10.543 -17.090 1.00 0.00 N ATOM 294 CA LEU A 20 6.278 -10.058 -16.508 1.00 0.00 C ATOM 295 C LEU A 20 5.620 -9.024 -17.414 1.00 0.00 C ATOM 296 O LEU A 20 4.408 -9.053 -17.629 1.00 0.00 O ATOM 297 CB LEU A 20 6.539 -9.452 -15.128 1.00 0.00 C ATOM 298 CG LEU A 20 7.460 -10.251 -14.206 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.557 -9.587 -12.841 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.966 -11.684 -14.070 1.00 0.00 C ATOM 0 H LEU A 20 8.353 -10.364 -16.522 1.00 0.00 H new ATOM 0 HA LEU A 20 5.600 -10.905 -16.404 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.968 -8.459 -15.265 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.581 -9.319 -14.625 1.00 0.00 H new ATOM 0 HG LEU A 20 8.456 -10.271 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.217 -10.170 -12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.958 -8.580 -12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.566 -9.534 -12.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.634 -12.238 -13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.960 -11.684 -13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.950 -12.158 -15.051 1.00 0.00 H new ATOM 312 N ARG A 21 6.427 -8.112 -17.946 1.00 0.00 N ATOM 313 CA ARG A 21 5.923 -7.068 -18.831 1.00 0.00 C ATOM 314 C ARG A 21 5.420 -7.664 -20.143 1.00 0.00 C ATOM 315 O ARG A 21 4.526 -7.112 -20.784 1.00 0.00 O ATOM 316 CB ARG A 21 7.017 -6.037 -19.114 1.00 0.00 C ATOM 317 CG ARG A 21 7.632 -5.442 -17.858 1.00 0.00 C ATOM 318 CD ARG A 21 8.447 -4.198 -18.172 1.00 0.00 C ATOM 319 NE ARG A 21 9.061 -3.628 -16.975 1.00 0.00 N ATOM 320 CZ ARG A 21 8.382 -2.962 -16.048 1.00 0.00 C ATOM 321 NH1 ARG A 21 7.075 -2.782 -16.179 1.00 0.00 N ATOM 322 NH2 ARG A 21 9.011 -2.473 -14.987 1.00 0.00 N ATOM 0 H ARG A 21 7.433 -8.075 -17.780 1.00 0.00 H new ATOM 0 HA ARG A 21 5.089 -6.575 -18.332 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.803 -6.507 -19.706 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.599 -5.233 -19.720 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.843 -5.192 -17.149 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.269 -6.184 -17.377 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.224 -4.447 -18.894 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.804 -3.452 -18.640 1.00 0.00 H new ATOM 0 HE ARG A 21 10.065 -3.748 -16.844 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.588 -3.156 -16.994 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.557 -2.270 -15.465 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.017 -2.608 -14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.489 -1.962 -14.275 1.00 0.00 H new ATOM 336 N SER A 22 6.000 -8.794 -20.535 1.00 0.00 N ATOM 337 CA SER A 22 5.614 -9.462 -21.772 1.00 0.00 C ATOM 338 C SER A 22 4.104 -9.675 -21.826 1.00 0.00 C ATOM 339 O SER A 22 3.455 -9.349 -22.820 1.00 0.00 O ATOM 340 CB SER A 22 6.335 -10.806 -21.896 1.00 0.00 C ATOM 341 OG SER A 22 6.441 -11.204 -23.252 1.00 0.00 O ATOM 0 H SER A 22 6.739 -9.266 -20.014 1.00 0.00 H new ATOM 0 HA SER A 22 5.903 -8.824 -22.607 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.330 -10.731 -21.457 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.794 -11.566 -21.332 1.00 0.00 H new ATOM 0 HG SER A 22 6.907 -12.065 -23.305 1.00 0.00 H new ATOM 347 N HIS A 23 3.551 -10.224 -20.749 1.00 0.00 N ATOM 348 CA HIS A 23 2.117 -10.480 -20.672 1.00 0.00 C ATOM 349 C HIS A 23 1.388 -9.300 -20.038 1.00 0.00 C ATOM 350 O HIS A 23 0.225 -9.413 -19.651 1.00 0.00 O ATOM 351 CB HIS A 23 1.848 -11.753 -19.869 1.00 0.00 C ATOM 352 CG HIS A 23 2.388 -12.993 -20.513 1.00 0.00 C ATOM 353 ND1 HIS A 23 2.450 -14.210 -19.867 1.00 0.00 N ATOM 354 CD2 HIS A 23 2.891 -13.200 -21.752 1.00 0.00 C ATOM 355 CE1 HIS A 23 2.970 -15.112 -20.681 1.00 0.00 C ATOM 356 NE2 HIS A 23 3.246 -14.525 -21.831 1.00 0.00 N ATOM 0 H HIS A 23 4.074 -10.500 -19.918 1.00 0.00 H new ATOM 0 HA HIS A 23 1.741 -10.613 -21.686 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.288 -11.647 -18.878 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.773 -11.865 -19.730 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.994 -12.461 -22.533 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.140 -16.152 -20.446 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.656 -14.981 -22.646 1.00 0.00 H new ATOM 364 N ARG A 24 2.079 -8.170 -19.934 1.00 0.00 N ATOM 365 CA ARG A 24 1.497 -6.970 -19.345 1.00 0.00 C ATOM 366 C ARG A 24 0.968 -7.255 -17.942 1.00 0.00 C ATOM 367 O ARG A 24 -0.030 -6.674 -17.515 1.00 0.00 O ATOM 368 CB ARG A 24 0.368 -6.438 -20.229 1.00 0.00 C ATOM 369 CG ARG A 24 0.819 -6.061 -21.631 1.00 0.00 C ATOM 370 CD ARG A 24 1.275 -4.612 -21.699 1.00 0.00 C ATOM 371 NE ARG A 24 1.883 -4.290 -22.987 1.00 0.00 N ATOM 372 CZ ARG A 24 1.194 -4.171 -24.116 1.00 0.00 C ATOM 373 NH1 ARG A 24 -0.120 -4.346 -24.116 1.00 0.00 N ATOM 374 NH2 ARG A 24 1.819 -3.875 -25.249 1.00 0.00 N ATOM 0 H ARG A 24 3.043 -8.060 -20.250 1.00 0.00 H new ATOM 0 HA ARG A 24 2.279 -6.215 -19.273 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.414 -7.194 -20.299 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.075 -5.564 -19.752 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.634 -6.715 -21.940 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.000 -6.219 -22.333 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.423 -3.955 -21.526 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.992 -4.420 -20.901 1.00 0.00 H new ATOM 0 HE ARG A 24 2.893 -4.149 -23.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.604 -4.573 -23.247 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.647 -4.254 -24.985 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.830 -3.739 -25.253 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.288 -3.784 -26.115 1.00 0.00 H new ATOM 388 N ILE A 25 1.643 -8.152 -17.232 1.00 0.00 N ATOM 389 CA ILE A 25 1.240 -8.514 -15.878 1.00 0.00 C ATOM 390 C ILE A 25 1.182 -7.285 -14.976 1.00 0.00 C ATOM 391 O ILE A 25 1.939 -6.332 -15.157 1.00 0.00 O ATOM 392 CB ILE A 25 2.204 -9.545 -15.261 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.278 -10.795 -16.139 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.760 -9.907 -13.851 1.00 0.00 C ATOM 395 CD1 ILE A 25 3.078 -11.921 -15.522 1.00 0.00 C ATOM 0 H ILE A 25 2.471 -8.642 -17.571 1.00 0.00 H new ATOM 0 HA ILE A 25 0.246 -8.956 -15.951 1.00 0.00 H new ATOM 0 HB ILE A 25 3.199 -9.103 -15.206 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.267 -11.147 -16.341 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.721 -10.529 -17.099 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.451 -10.636 -13.428 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.753 -9.011 -13.230 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.757 -10.333 -13.883 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.088 -12.774 -16.200 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.100 -11.587 -15.345 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.623 -12.214 -14.576 1.00 0.00 H new ATOM 407 N LYS A 26 0.279 -7.316 -14.002 1.00 0.00 N ATOM 408 CA LYS A 26 0.122 -6.208 -13.068 1.00 0.00 C ATOM 409 C LYS A 26 1.071 -6.356 -11.883 1.00 0.00 C ATOM 410 O LYS A 26 1.938 -7.231 -11.874 1.00 0.00 O ATOM 411 CB LYS A 26 -1.323 -6.133 -12.571 1.00 0.00 C ATOM 412 CG LYS A 26 -2.050 -4.870 -13.002 1.00 0.00 C ATOM 413 CD LYS A 26 -1.891 -3.759 -11.978 1.00 0.00 C ATOM 414 CE LYS A 26 -2.703 -2.530 -12.359 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.018 -2.496 -11.661 1.00 0.00 N ATOM 0 H LYS A 26 -0.356 -8.098 -13.839 1.00 0.00 H new ATOM 0 HA LYS A 26 0.367 -5.285 -13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.870 -7.001 -12.939 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.328 -6.191 -11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.663 -4.537 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.109 -5.088 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.209 -4.117 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.838 -3.489 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.138 -1.631 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.864 -2.521 -13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.541 -1.644 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.568 -3.341 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.865 -2.479 -10.632 1.00 0.00 H new ATOM 429 N THR A 27 0.900 -5.498 -10.882 1.00 0.00 N ATOM 430 CA THR A 27 1.741 -5.534 -9.692 1.00 0.00 C ATOM 431 C THR A 27 1.432 -6.758 -8.838 1.00 0.00 C ATOM 432 O THR A 27 0.600 -7.589 -9.203 1.00 0.00 O ATOM 433 CB THR A 27 1.558 -4.266 -8.837 1.00 0.00 C ATOM 434 OG1 THR A 27 0.166 -4.029 -8.603 1.00 0.00 O ATOM 435 CG2 THR A 27 2.175 -3.057 -9.523 1.00 0.00 C ATOM 0 H THR A 27 0.186 -4.769 -10.872 1.00 0.00 H new ATOM 0 HA THR A 27 2.774 -5.586 -10.036 1.00 0.00 H new ATOM 0 HB THR A 27 2.064 -4.421 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.059 -3.222 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.033 -2.174 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.241 -3.228 -9.673 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.694 -2.901 -10.488 1.00 0.00 H new ATOM 443 N VAL A 28 2.107 -6.864 -7.698 1.00 0.00 N ATOM 444 CA VAL A 28 1.903 -7.987 -6.790 1.00 0.00 C ATOM 445 C VAL A 28 0.419 -8.243 -6.557 1.00 0.00 C ATOM 446 O VAL A 28 0.005 -9.374 -6.305 1.00 0.00 O ATOM 447 CB VAL A 28 2.590 -7.743 -5.433 1.00 0.00 C ATOM 448 CG1 VAL A 28 2.341 -8.911 -4.491 1.00 0.00 C ATOM 449 CG2 VAL A 28 4.081 -7.511 -5.625 1.00 0.00 C ATOM 0 H VAL A 28 2.800 -6.186 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 28 2.349 -8.862 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 28 2.161 -6.847 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.834 -8.721 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.269 -9.026 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.741 -9.825 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.550 -7.340 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.528 -8.387 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.235 -6.639 -6.261 1.00 0.00 H new ATOM 459 N VAL A 29 -0.380 -7.183 -6.645 1.00 0.00 N ATOM 460 CA VAL A 29 -1.820 -7.293 -6.445 1.00 0.00 C ATOM 461 C VAL A 29 -2.427 -8.330 -7.383 1.00 0.00 C ATOM 462 O VAL A 29 -3.269 -9.132 -6.977 1.00 0.00 O ATOM 463 CB VAL A 29 -2.522 -5.940 -6.670 1.00 0.00 C ATOM 464 CG1 VAL A 29 -2.063 -4.922 -5.637 1.00 0.00 C ATOM 465 CG2 VAL A 29 -2.263 -5.434 -8.081 1.00 0.00 C ATOM 0 H VAL A 29 -0.054 -6.239 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.974 -7.607 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.596 -6.083 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.569 -3.973 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.305 -5.284 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.986 -4.779 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.766 -4.478 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.191 -5.306 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.646 -6.156 -8.802 1.00 0.00 H new ATOM 475 N ASP A 30 -1.994 -8.310 -8.638 1.00 0.00 N ATOM 476 CA ASP A 30 -2.494 -9.251 -9.635 1.00 0.00 C ATOM 477 C ASP A 30 -1.950 -10.653 -9.379 1.00 0.00 C ATOM 478 O ASP A 30 -2.631 -11.649 -9.626 1.00 0.00 O ATOM 479 CB ASP A 30 -2.109 -8.789 -11.041 1.00 0.00 C ATOM 480 CG ASP A 30 -2.359 -9.856 -12.089 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.401 -10.539 -12.004 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.513 -10.007 -12.995 1.00 0.00 O ATOM 0 H ASP A 30 -1.298 -7.653 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.581 -9.283 -9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.677 -7.894 -11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.055 -8.511 -11.053 1.00 0.00 H new ATOM 487 N LEU A 31 -0.719 -10.723 -8.885 1.00 0.00 N ATOM 488 CA LEU A 31 -0.082 -12.004 -8.597 1.00 0.00 C ATOM 489 C LEU A 31 -0.967 -12.862 -7.698 1.00 0.00 C ATOM 490 O LEU A 31 -1.013 -14.084 -7.839 1.00 0.00 O ATOM 491 CB LEU A 31 1.277 -11.781 -7.932 1.00 0.00 C ATOM 492 CG LEU A 31 2.352 -12.827 -8.235 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.726 -12.310 -7.838 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.043 -14.132 -7.518 1.00 0.00 C ATOM 0 H LEU A 31 -0.142 -9.908 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 31 0.064 -12.530 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.653 -10.804 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.129 -11.743 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 31 2.355 -13.018 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.478 -13.067 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.949 -11.402 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.738 -12.090 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.818 -14.864 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.012 -13.958 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.077 -14.511 -7.852 1.00 0.00 H new ATOM 506 N VAL A 32 -1.670 -12.213 -6.775 1.00 0.00 N ATOM 507 CA VAL A 32 -2.556 -12.916 -5.855 1.00 0.00 C ATOM 508 C VAL A 32 -3.552 -13.789 -6.610 1.00 0.00 C ATOM 509 O VAL A 32 -4.040 -14.789 -6.084 1.00 0.00 O ATOM 510 CB VAL A 32 -3.330 -11.931 -4.959 1.00 0.00 C ATOM 511 CG1 VAL A 32 -4.525 -11.357 -5.704 1.00 0.00 C ATOM 512 CG2 VAL A 32 -3.771 -12.615 -3.674 1.00 0.00 C ATOM 0 H VAL A 32 -1.643 -11.202 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.926 -13.547 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.666 -11.107 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.059 -10.663 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.180 -10.829 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.193 -12.166 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.316 -11.905 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.418 -13.459 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.895 -12.972 -3.133 1.00 0.00 H new ATOM 522 N SER A 33 -3.848 -13.404 -7.848 1.00 0.00 N ATOM 523 CA SER A 33 -4.789 -14.150 -8.675 1.00 0.00 C ATOM 524 C SER A 33 -4.053 -14.963 -9.736 1.00 0.00 C ATOM 525 O SER A 33 -4.561 -15.973 -10.222 1.00 0.00 O ATOM 526 CB SER A 33 -5.780 -13.196 -9.344 1.00 0.00 C ATOM 527 OG SER A 33 -6.451 -13.829 -10.420 1.00 0.00 O ATOM 0 H SER A 33 -3.450 -12.581 -8.300 1.00 0.00 H new ATOM 0 HA SER A 33 -5.336 -14.837 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.508 -12.850 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.252 -12.315 -9.709 1.00 0.00 H new ATOM 0 HG SER A 33 -7.080 -13.199 -10.830 1.00 0.00 H new ATOM 533 N ALA A 34 -2.854 -14.514 -10.090 1.00 0.00 N ATOM 534 CA ALA A 34 -2.046 -15.200 -11.091 1.00 0.00 C ATOM 535 C ALA A 34 -1.720 -16.623 -10.652 1.00 0.00 C ATOM 536 O ALA A 34 -2.020 -17.020 -9.526 1.00 0.00 O ATOM 537 CB ALA A 34 -0.767 -14.422 -11.360 1.00 0.00 C ATOM 0 H ALA A 34 -2.420 -13.678 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.625 -15.256 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.173 -14.946 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.017 -13.426 -11.726 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.193 -14.336 -10.438 1.00 0.00 H new ATOM 543 N ASP A 35 -1.105 -17.387 -11.548 1.00 0.00 N ATOM 544 CA ASP A 35 -0.737 -18.767 -11.253 1.00 0.00 C ATOM 545 C ASP A 35 0.765 -18.891 -11.020 1.00 0.00 C ATOM 546 O ASP A 35 1.464 -19.584 -11.761 1.00 0.00 O ATOM 547 CB ASP A 35 -1.166 -19.688 -12.397 1.00 0.00 C ATOM 548 CG ASP A 35 -2.536 -19.334 -12.942 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.534 -19.542 -12.221 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.609 -18.848 -14.090 1.00 0.00 O ATOM 0 H ASP A 35 -0.851 -17.074 -12.485 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.254 -19.068 -10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.432 -19.630 -13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.173 -20.720 -12.046 1.00 0.00 H new ATOM 555 N LEU A 36 1.256 -18.216 -9.987 1.00 0.00 N ATOM 556 CA LEU A 36 2.677 -18.249 -9.657 1.00 0.00 C ATOM 557 C LEU A 36 3.153 -19.683 -9.446 1.00 0.00 C ATOM 558 O LEU A 36 4.268 -20.038 -9.827 1.00 0.00 O ATOM 559 CB LEU A 36 2.948 -17.420 -8.400 1.00 0.00 C ATOM 560 CG LEU A 36 4.352 -16.825 -8.278 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.393 -17.930 -8.185 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.647 -15.909 -9.456 1.00 0.00 C ATOM 0 H LEU A 36 0.692 -17.639 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 36 3.230 -17.821 -10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.225 -16.605 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.764 -18.048 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 36 4.397 -16.233 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.386 -17.488 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.192 -18.546 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.348 -18.549 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.650 -15.495 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.583 -16.477 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.920 -15.097 -9.477 1.00 0.00 H new ATOM 574 N GLU A 37 2.300 -20.501 -8.839 1.00 0.00 N ATOM 575 CA GLU A 37 2.635 -21.897 -8.580 1.00 0.00 C ATOM 576 C GLU A 37 2.967 -22.627 -9.878 1.00 0.00 C ATOM 577 O GLU A 37 3.919 -23.403 -9.939 1.00 0.00 O ATOM 578 CB GLU A 37 1.475 -22.599 -7.869 1.00 0.00 C ATOM 579 CG GLU A 37 0.160 -22.519 -8.626 1.00 0.00 C ATOM 580 CD GLU A 37 -0.105 -23.753 -9.466 1.00 0.00 C ATOM 581 OE1 GLU A 37 0.839 -24.545 -9.671 1.00 0.00 O ATOM 582 OE2 GLU A 37 -1.256 -23.928 -9.918 1.00 0.00 O ATOM 0 H GLU A 37 1.373 -20.222 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 37 3.514 -21.920 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.734 -23.647 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.344 -22.156 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.656 -22.385 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.169 -21.640 -9.271 1.00 0.00 H new ATOM 589 N GLU A 38 2.173 -22.372 -10.914 1.00 0.00 N ATOM 590 CA GLU A 38 2.382 -23.006 -12.210 1.00 0.00 C ATOM 591 C GLU A 38 3.574 -22.385 -12.933 1.00 0.00 C ATOM 592 O GLU A 38 4.445 -23.093 -13.438 1.00 0.00 O ATOM 593 CB GLU A 38 1.125 -22.879 -13.073 1.00 0.00 C ATOM 594 CG GLU A 38 1.075 -23.869 -14.225 1.00 0.00 C ATOM 595 CD GLU A 38 0.820 -25.290 -13.761 1.00 0.00 C ATOM 596 OE1 GLU A 38 -0.349 -25.617 -13.468 1.00 0.00 O ATOM 597 OE2 GLU A 38 1.789 -26.075 -13.692 1.00 0.00 O ATOM 0 H GLU A 38 1.380 -21.731 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 38 2.592 -24.062 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.247 -23.022 -12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.070 -21.866 -13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.291 -23.572 -14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.017 -23.833 -14.772 1.00 0.00 H new ATOM 604 N VAL A 39 3.604 -21.057 -12.980 1.00 0.00 N ATOM 605 CA VAL A 39 4.688 -20.340 -13.640 1.00 0.00 C ATOM 606 C VAL A 39 6.040 -20.719 -13.047 1.00 0.00 C ATOM 607 O VAL A 39 7.020 -20.894 -13.771 1.00 0.00 O ATOM 608 CB VAL A 39 4.501 -18.815 -13.530 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.654 -18.085 -14.204 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.169 -18.397 -14.134 1.00 0.00 C ATOM 0 H VAL A 39 2.890 -20.456 -12.569 1.00 0.00 H new ATOM 0 HA VAL A 39 4.663 -20.627 -14.691 1.00 0.00 H new ATOM 0 HB VAL A 39 4.497 -18.542 -12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.504 -17.009 -14.116 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.591 -18.362 -13.722 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.693 -18.361 -15.258 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.053 -17.317 -14.048 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.141 -18.682 -15.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.357 -18.892 -13.602 1.00 0.00 H new ATOM 620 N ALA A 40 6.086 -20.845 -11.725 1.00 0.00 N ATOM 621 CA ALA A 40 7.317 -21.207 -11.034 1.00 0.00 C ATOM 622 C ALA A 40 7.772 -22.610 -11.421 1.00 0.00 C ATOM 623 O ALA A 40 8.969 -22.875 -11.530 1.00 0.00 O ATOM 624 CB ALA A 40 7.125 -21.110 -9.528 1.00 0.00 C ATOM 0 H ALA A 40 5.284 -20.702 -11.111 1.00 0.00 H new ATOM 0 HA ALA A 40 8.094 -20.505 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.052 -21.383 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.854 -20.089 -9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.330 -21.789 -9.218 1.00 0.00 H new ATOM 630 N GLN A 41 6.811 -23.503 -11.628 1.00 0.00 N ATOM 631 CA GLN A 41 7.114 -24.879 -12.002 1.00 0.00 C ATOM 632 C GLN A 41 7.751 -24.939 -13.387 1.00 0.00 C ATOM 633 O GLN A 41 8.795 -25.565 -13.576 1.00 0.00 O ATOM 634 CB GLN A 41 5.843 -25.730 -11.975 1.00 0.00 C ATOM 635 CG GLN A 41 5.885 -26.854 -10.953 1.00 0.00 C ATOM 636 CD GLN A 41 6.219 -28.196 -11.574 1.00 0.00 C ATOM 637 OE1 GLN A 41 5.670 -28.567 -12.612 1.00 0.00 O ATOM 638 NE2 GLN A 41 7.124 -28.933 -10.941 1.00 0.00 N ATOM 0 H GLN A 41 5.815 -23.299 -11.543 1.00 0.00 H new ATOM 0 HA GLN A 41 7.824 -25.277 -11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.990 -25.087 -11.760 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.680 -26.156 -12.965 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.625 -26.617 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.919 -26.920 -10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.554 -28.587 -10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.389 -29.845 -11.312 1.00 0.00 H new ATOM 647 N LYS A 42 7.117 -24.284 -14.353 1.00 0.00 N ATOM 648 CA LYS A 42 7.621 -24.261 -15.721 1.00 0.00 C ATOM 649 C LYS A 42 8.913 -23.455 -15.811 1.00 0.00 C ATOM 650 O LYS A 42 9.866 -23.865 -16.475 1.00 0.00 O ATOM 651 CB LYS A 42 6.571 -23.668 -16.663 1.00 0.00 C ATOM 652 CG LYS A 42 5.204 -24.317 -16.536 1.00 0.00 C ATOM 653 CD LYS A 42 4.407 -24.195 -17.824 1.00 0.00 C ATOM 654 CE LYS A 42 4.763 -25.300 -18.807 1.00 0.00 C ATOM 655 NZ LYS A 42 4.193 -26.613 -18.395 1.00 0.00 N ATOM 0 H LYS A 42 6.252 -23.761 -14.214 1.00 0.00 H new ATOM 0 HA LYS A 42 7.832 -25.287 -16.022 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.477 -22.601 -16.463 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.918 -23.770 -17.691 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.322 -25.370 -16.279 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.653 -23.849 -15.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.341 -24.236 -17.599 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.599 -23.224 -18.281 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.392 -25.038 -19.798 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.847 -25.383 -18.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.249 -27.281 -19.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.733 -26.988 -17.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.199 -26.488 -18.117 1.00 0.00 H new ATOM 669 N CYS A 43 8.939 -22.310 -15.139 1.00 0.00 N ATOM 670 CA CYS A 43 10.115 -21.447 -15.143 1.00 0.00 C ATOM 671 C CYS A 43 11.270 -22.099 -14.388 1.00 0.00 C ATOM 672 O CYS A 43 12.437 -21.809 -14.648 1.00 0.00 O ATOM 673 CB CYS A 43 9.781 -20.092 -14.517 1.00 0.00 C ATOM 674 SG CYS A 43 10.971 -18.787 -14.906 1.00 0.00 S ATOM 0 H CYS A 43 8.159 -21.957 -14.584 1.00 0.00 H new ATOM 0 HA CYS A 43 10.421 -21.295 -16.178 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.793 -19.781 -14.856 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.725 -20.207 -13.435 1.00 0.00 H new ATOM 0 HG CYS A 43 10.419 -17.626 -14.715 1.00 0.00 H new ATOM 680 N GLY A 44 10.935 -22.979 -13.450 1.00 0.00 N ATOM 681 CA GLY A 44 11.954 -23.657 -12.670 1.00 0.00 C ATOM 682 C GLY A 44 12.405 -22.843 -11.473 1.00 0.00 C ATOM 683 O GLY A 44 13.541 -22.974 -11.016 1.00 0.00 O ATOM 0 H GLY A 44 9.976 -23.235 -13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.567 -24.617 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.813 -23.869 -13.306 1.00 0.00 H new ATOM 687 N LEU A 45 11.514 -22.000 -10.964 1.00 0.00 N ATOM 688 CA LEU A 45 11.826 -21.160 -9.813 1.00 0.00 C ATOM 689 C LEU A 45 11.321 -21.796 -8.522 1.00 0.00 C ATOM 690 O LEU A 45 10.632 -22.815 -8.549 1.00 0.00 O ATOM 691 CB LEU A 45 11.207 -19.772 -9.987 1.00 0.00 C ATOM 692 CG LEU A 45 12.099 -18.716 -10.643 1.00 0.00 C ATOM 693 CD1 LEU A 45 13.239 -18.330 -9.714 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.639 -19.226 -11.971 1.00 0.00 C ATOM 0 H LEU A 45 10.570 -21.880 -11.330 1.00 0.00 H new ATOM 0 HA LEU A 45 12.910 -21.062 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.300 -19.873 -10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.905 -19.405 -9.006 1.00 0.00 H new ATOM 0 HG LEU A 45 11.498 -17.827 -10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.863 -17.578 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.832 -17.924 -8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.840 -19.211 -9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.271 -18.462 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.225 -20.129 -11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.808 -19.452 -12.639 1.00 0.00 H new ATOM 706 N SER A 46 11.668 -21.186 -7.393 1.00 0.00 N ATOM 707 CA SER A 46 11.251 -21.694 -6.091 1.00 0.00 C ATOM 708 C SER A 46 9.967 -21.013 -5.628 1.00 0.00 C ATOM 709 O SER A 46 9.974 -19.843 -5.247 1.00 0.00 O ATOM 710 CB SER A 46 12.358 -21.476 -5.057 1.00 0.00 C ATOM 711 OG SER A 46 13.586 -22.028 -5.500 1.00 0.00 O ATOM 0 H SER A 46 12.236 -20.340 -7.354 1.00 0.00 H new ATOM 0 HA SER A 46 11.060 -22.763 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.481 -20.409 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.071 -21.933 -4.110 1.00 0.00 H new ATOM 0 HG SER A 46 14.277 -21.874 -4.823 1.00 0.00 H new ATOM 717 N TYR A 47 8.866 -21.755 -5.665 1.00 0.00 N ATOM 718 CA TYR A 47 7.572 -21.224 -5.252 1.00 0.00 C ATOM 719 C TYR A 47 7.588 -20.836 -3.777 1.00 0.00 C ATOM 720 O TYR A 47 6.835 -19.963 -3.344 1.00 0.00 O ATOM 721 CB TYR A 47 6.470 -22.254 -5.508 1.00 0.00 C ATOM 722 CG TYR A 47 5.121 -21.845 -4.960 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.306 -20.960 -5.654 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.662 -22.346 -3.747 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.073 -20.584 -5.156 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.430 -21.976 -3.243 1.00 0.00 C ATOM 727 CZ TYR A 47 2.640 -21.095 -3.950 1.00 0.00 C ATOM 728 OH TYR A 47 1.412 -20.723 -3.452 1.00 0.00 O ATOM 0 H TYR A 47 8.843 -22.726 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 47 7.369 -20.330 -5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.382 -22.420 -6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.762 -23.205 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.642 -20.559 -6.599 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.279 -23.036 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.452 -19.894 -5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.088 -22.375 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 47 1.257 -21.172 -2.595 1.00 0.00 H new ATOM 738 N LYS A 48 8.453 -21.490 -3.009 1.00 0.00 N ATOM 739 CA LYS A 48 8.571 -21.214 -1.582 1.00 0.00 C ATOM 740 C LYS A 48 8.891 -19.743 -1.337 1.00 0.00 C ATOM 741 O LYS A 48 8.388 -19.138 -0.391 1.00 0.00 O ATOM 742 CB LYS A 48 9.658 -22.094 -0.960 1.00 0.00 C ATOM 743 CG LYS A 48 9.405 -23.582 -1.126 1.00 0.00 C ATOM 744 CD LYS A 48 9.935 -24.374 0.058 1.00 0.00 C ATOM 745 CE LYS A 48 9.266 -25.736 0.161 1.00 0.00 C ATOM 746 NZ LYS A 48 9.894 -26.583 1.213 1.00 0.00 N ATOM 0 H LYS A 48 9.083 -22.215 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 48 7.614 -21.442 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.618 -21.845 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.736 -21.864 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.335 -23.760 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.881 -23.933 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.013 -24.503 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.765 -23.814 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.207 -25.605 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.328 -26.245 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.410 -27.503 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.899 -26.729 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.812 -26.109 2.135 1.00 0.00 H new ATOM 760 N ALA A 49 9.729 -19.173 -2.197 1.00 0.00 N ATOM 761 CA ALA A 49 10.113 -17.772 -2.075 1.00 0.00 C ATOM 762 C ALA A 49 8.889 -16.863 -2.115 1.00 0.00 C ATOM 763 O ALA A 49 8.839 -15.843 -1.427 1.00 0.00 O ATOM 764 CB ALA A 49 11.090 -17.395 -3.179 1.00 0.00 C ATOM 0 H ALA A 49 10.155 -19.660 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 49 10.602 -17.637 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.368 -16.346 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.982 -18.016 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.620 -17.552 -4.150 1.00 0.00 H new ATOM 770 N LEU A 50 7.906 -17.238 -2.925 1.00 0.00 N ATOM 771 CA LEU A 50 6.681 -16.455 -3.056 1.00 0.00 C ATOM 772 C LEU A 50 5.898 -16.448 -1.747 1.00 0.00 C ATOM 773 O LEU A 50 5.423 -15.403 -1.301 1.00 0.00 O ATOM 774 CB LEU A 50 5.811 -17.016 -4.182 1.00 0.00 C ATOM 775 CG LEU A 50 4.413 -16.411 -4.314 1.00 0.00 C ATOM 776 CD1 LEU A 50 4.490 -15.013 -4.908 1.00 0.00 C ATOM 777 CD2 LEU A 50 3.524 -17.305 -5.166 1.00 0.00 C ATOM 0 H LEU A 50 7.932 -18.079 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 50 6.958 -15.429 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.337 -16.874 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.708 -18.091 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 50 3.975 -16.337 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.486 -14.599 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.091 -14.375 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.948 -15.062 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.533 -16.859 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.959 -17.410 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.442 -18.287 -4.700 1.00 0.00 H new ATOM 789 N VAL A 51 5.767 -17.621 -1.135 1.00 0.00 N ATOM 790 CA VAL A 51 5.044 -17.750 0.124 1.00 0.00 C ATOM 791 C VAL A 51 5.646 -16.851 1.198 1.00 0.00 C ATOM 792 O VAL A 51 4.926 -16.265 2.007 1.00 0.00 O ATOM 793 CB VAL A 51 5.049 -19.206 0.628 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.304 -19.316 1.949 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.441 -20.131 -0.416 1.00 0.00 C ATOM 0 H VAL A 51 6.152 -18.496 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 51 4.016 -17.443 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 51 6.082 -19.512 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.318 -20.351 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.787 -18.683 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.272 -18.993 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.452 -21.156 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.413 -19.828 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.022 -20.072 -1.336 1.00 0.00 H new ATOM 805 N ALA A 52 6.971 -16.745 1.200 1.00 0.00 N ATOM 806 CA ALA A 52 7.670 -15.915 2.172 1.00 0.00 C ATOM 807 C ALA A 52 7.319 -14.442 1.990 1.00 0.00 C ATOM 808 O ALA A 52 7.049 -13.733 2.960 1.00 0.00 O ATOM 809 CB ALA A 52 9.173 -16.120 2.057 1.00 0.00 C ATOM 0 H ALA A 52 7.582 -17.224 0.538 1.00 0.00 H new ATOM 0 HA ALA A 52 7.349 -16.217 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.683 -15.494 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.413 -17.167 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.502 -15.847 1.054 1.00 0.00 H new ATOM 815 N LEU A 53 7.326 -13.987 0.742 1.00 0.00 N ATOM 816 CA LEU A 53 7.010 -12.597 0.432 1.00 0.00 C ATOM 817 C LEU A 53 5.569 -12.269 0.813 1.00 0.00 C ATOM 818 O LEU A 53 5.304 -11.257 1.461 1.00 0.00 O ATOM 819 CB LEU A 53 7.231 -12.323 -1.056 1.00 0.00 C ATOM 820 CG LEU A 53 8.629 -11.846 -1.450 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.551 -13.032 -1.689 1.00 0.00 C ATOM 822 CD2 LEU A 53 8.563 -10.962 -2.687 1.00 0.00 C ATOM 0 H LEU A 53 7.547 -14.561 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 53 7.675 -11.960 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.011 -13.236 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.509 -11.573 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 53 9.035 -11.256 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.541 -12.672 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.624 -13.625 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.149 -13.649 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.567 -10.632 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.136 -11.527 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.938 -10.093 -2.480 1.00 0.00 H new ATOM 834 N ARG A 54 4.644 -13.133 0.407 1.00 0.00 N ATOM 835 CA ARG A 54 3.231 -12.935 0.706 1.00 0.00 C ATOM 836 C ARG A 54 3.001 -12.855 2.212 1.00 0.00 C ATOM 837 O ARG A 54 2.268 -11.990 2.693 1.00 0.00 O ATOM 838 CB ARG A 54 2.398 -14.073 0.112 1.00 0.00 C ATOM 839 CG ARG A 54 1.628 -13.676 -1.137 1.00 0.00 C ATOM 840 CD ARG A 54 1.682 -14.767 -2.195 1.00 0.00 C ATOM 841 NE ARG A 54 1.030 -15.995 -1.748 1.00 0.00 N ATOM 842 CZ ARG A 54 0.590 -16.936 -2.576 1.00 0.00 C ATOM 843 NH1 ARG A 54 0.732 -16.790 -3.886 1.00 0.00 N ATOM 844 NH2 ARG A 54 0.007 -18.026 -2.094 1.00 0.00 N ATOM 0 H ARG A 54 4.848 -13.976 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 54 2.918 -11.992 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.057 -14.908 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.694 -14.428 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.590 -13.472 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.042 -12.753 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.201 -14.412 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.722 -14.979 -2.445 1.00 0.00 H new ATOM 0 HE ARG A 54 0.906 -16.138 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.180 -15.954 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.393 -17.514 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.104 -18.142 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.330 -18.748 -2.731 1.00 0.00 H new ATOM 858 N ARG A 55 3.630 -13.762 2.952 1.00 0.00 N ATOM 859 CA ARG A 55 3.492 -13.795 4.403 1.00 0.00 C ATOM 860 C ARG A 55 3.920 -12.466 5.019 1.00 0.00 C ATOM 861 O ARG A 55 3.334 -12.009 6.001 1.00 0.00 O ATOM 862 CB ARG A 55 4.327 -14.934 4.990 1.00 0.00 C ATOM 863 CG ARG A 55 4.065 -15.183 6.466 1.00 0.00 C ATOM 864 CD ARG A 55 4.053 -16.670 6.787 1.00 0.00 C ATOM 865 NE ARG A 55 4.424 -16.933 8.175 1.00 0.00 N ATOM 866 CZ ARG A 55 4.618 -18.152 8.665 1.00 0.00 C ATOM 867 NH1 ARG A 55 4.477 -19.214 7.884 1.00 0.00 N ATOM 868 NH2 ARG A 55 4.954 -18.311 9.939 1.00 0.00 N ATOM 0 H ARG A 55 4.241 -14.484 2.570 1.00 0.00 H new ATOM 0 HA ARG A 55 2.442 -13.965 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.121 -15.848 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.384 -14.708 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.832 -14.687 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.109 -14.741 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.059 -17.074 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.743 -17.190 6.122 1.00 0.00 H new ATOM 0 HE ARG A 55 4.540 -16.137 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.219 -19.096 6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.627 -20.149 8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.063 -17.496 10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.103 -19.248 10.314 1.00 0.00 H new ATOM 882 N VAL A 56 4.944 -11.852 4.437 1.00 0.00 N ATOM 883 CA VAL A 56 5.450 -10.576 4.928 1.00 0.00 C ATOM 884 C VAL A 56 4.450 -9.453 4.675 1.00 0.00 C ATOM 885 O VAL A 56 4.273 -8.564 5.508 1.00 0.00 O ATOM 886 CB VAL A 56 6.792 -10.211 4.266 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.261 -8.840 4.729 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.840 -11.272 4.569 1.00 0.00 C ATOM 0 H VAL A 56 5.440 -12.218 3.624 1.00 0.00 H new ATOM 0 HA VAL A 56 5.602 -10.689 6.001 1.00 0.00 H new ATOM 0 HB VAL A 56 6.647 -10.173 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.210 -8.600 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.518 -8.090 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.391 -8.846 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.782 -10.999 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.984 -11.343 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.505 -12.235 4.183 1.00 0.00 H new ATOM 898 N LEU A 57 3.796 -9.501 3.519 1.00 0.00 N ATOM 899 CA LEU A 57 2.812 -8.488 3.154 1.00 0.00 C ATOM 900 C LEU A 57 1.640 -8.492 4.131 1.00 0.00 C ATOM 901 O LEU A 57 1.229 -7.442 4.627 1.00 0.00 O ATOM 902 CB LEU A 57 2.305 -8.730 1.731 1.00 0.00 C ATOM 903 CG LEU A 57 3.097 -8.053 0.613 1.00 0.00 C ATOM 904 CD1 LEU A 57 3.154 -6.549 0.834 1.00 0.00 C ATOM 905 CD2 LEU A 57 4.501 -8.635 0.525 1.00 0.00 C ATOM 0 H LEU A 57 3.930 -10.231 2.819 1.00 0.00 H new ATOM 0 HA LEU A 57 3.297 -7.513 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.300 -9.804 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.271 -8.391 1.673 1.00 0.00 H new ATOM 0 HG LEU A 57 2.588 -8.242 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.722 -6.084 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.142 -6.144 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.639 -6.339 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.050 -8.141 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.020 -8.478 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.440 -9.703 0.318 1.00 0.00 H new ATOM 917 N LEU A 58 1.108 -9.678 4.404 1.00 0.00 N ATOM 918 CA LEU A 58 -0.016 -9.818 5.324 1.00 0.00 C ATOM 919 C LEU A 58 0.430 -9.599 6.766 1.00 0.00 C ATOM 920 O LEU A 58 -0.327 -9.085 7.589 1.00 0.00 O ATOM 921 CB LEU A 58 -0.649 -11.203 5.179 1.00 0.00 C ATOM 922 CG LEU A 58 0.023 -12.334 5.959 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.578 -12.453 7.351 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.104 -13.650 5.207 1.00 0.00 C ATOM 0 H LEU A 58 1.436 -10.556 4.002 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.756 -9.058 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.690 -11.139 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.653 -11.470 4.122 1.00 0.00 H new ATOM 0 HG LEU A 58 1.082 -12.099 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.087 -13.263 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.434 -11.517 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.644 -12.665 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.380 -14.443 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.158 -13.892 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.375 -13.560 4.232 1.00 0.00 H new ATOM 936 N ALA A 59 1.665 -9.990 7.064 1.00 0.00 N ATOM 937 CA ALA A 59 2.213 -9.833 8.405 1.00 0.00 C ATOM 938 C ALA A 59 2.214 -8.368 8.829 1.00 0.00 C ATOM 939 O ALA A 59 1.955 -8.049 9.990 1.00 0.00 O ATOM 940 CB ALA A 59 3.622 -10.403 8.470 1.00 0.00 C ATOM 0 H ALA A 59 2.305 -10.418 6.394 1.00 0.00 H new ATOM 0 HA ALA A 59 1.577 -10.385 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.019 -10.279 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.598 -11.463 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.261 -9.876 7.761 1.00 0.00 H new ATOM 946 N GLN A 60 2.507 -7.482 7.882 1.00 0.00 N ATOM 947 CA GLN A 60 2.542 -6.051 8.160 1.00 0.00 C ATOM 948 C GLN A 60 1.161 -5.539 8.554 1.00 0.00 C ATOM 949 O GLN A 60 1.031 -4.683 9.429 1.00 0.00 O ATOM 950 CB GLN A 60 3.054 -5.286 6.938 1.00 0.00 C ATOM 951 CG GLN A 60 4.506 -5.581 6.600 1.00 0.00 C ATOM 952 CD GLN A 60 5.474 -4.708 7.375 1.00 0.00 C ATOM 953 OE1 GLN A 60 5.199 -4.309 8.506 1.00 0.00 O ATOM 954 NE2 GLN A 60 6.616 -4.407 6.767 1.00 0.00 N ATOM 0 H GLN A 60 2.723 -7.730 6.917 1.00 0.00 H new ATOM 0 HA GLN A 60 3.222 -5.885 8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.432 -5.534 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.941 -4.217 7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.719 -6.629 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.664 -5.433 5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.802 -4.760 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.306 -3.823 7.239 1.00 0.00 H new ATOM 963 N PHE A 61 0.131 -6.068 7.902 1.00 0.00 N ATOM 964 CA PHE A 61 -1.242 -5.663 8.183 1.00 0.00 C ATOM 965 C PHE A 61 -1.755 -6.327 9.457 1.00 0.00 C ATOM 966 O PHE A 61 -2.457 -5.705 10.254 1.00 0.00 O ATOM 967 CB PHE A 61 -2.153 -6.021 7.006 1.00 0.00 C ATOM 968 CG PHE A 61 -1.946 -5.148 5.801 1.00 0.00 C ATOM 969 CD1 PHE A 61 -2.193 -3.786 5.865 1.00 0.00 C ATOM 970 CD2 PHE A 61 -1.505 -5.690 4.605 1.00 0.00 C ATOM 971 CE1 PHE A 61 -2.004 -2.980 4.758 1.00 0.00 C ATOM 972 CE2 PHE A 61 -1.313 -4.889 3.495 1.00 0.00 C ATOM 973 CZ PHE A 61 -1.564 -3.533 3.571 1.00 0.00 C ATOM 0 H PHE A 61 0.221 -6.778 7.175 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.253 -4.583 8.327 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.980 -7.060 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.192 -5.946 7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.537 -3.349 6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.309 -6.750 4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.200 -1.920 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.967 -5.323 2.569 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.417 -2.906 2.704 1.00 0.00 H new ATOM 983 N SER A 62 -1.398 -7.594 9.642 1.00 0.00 N ATOM 984 CA SER A 62 -1.825 -8.345 10.817 1.00 0.00 C ATOM 985 C SER A 62 -1.075 -7.878 12.062 1.00 0.00 C ATOM 986 O SER A 62 0.017 -7.319 11.968 1.00 0.00 O ATOM 987 CB SER A 62 -1.597 -9.842 10.602 1.00 0.00 C ATOM 988 OG SER A 62 -2.338 -10.316 9.491 1.00 0.00 O ATOM 0 H SER A 62 -0.814 -8.122 8.993 1.00 0.00 H new ATOM 0 HA SER A 62 -2.890 -8.165 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.536 -10.032 10.443 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.888 -10.390 11.498 1.00 0.00 H new ATOM 0 HG SER A 62 -1.892 -10.046 8.661 1.00 0.00 H new ATOM 994 N ALA A 63 -1.670 -8.113 13.226 1.00 0.00 N ATOM 995 CA ALA A 63 -1.059 -7.720 14.490 1.00 0.00 C ATOM 996 C ALA A 63 -0.993 -8.897 15.457 1.00 0.00 C ATOM 997 O ALA A 63 -1.617 -9.934 15.232 1.00 0.00 O ATOM 998 CB ALA A 63 -1.831 -6.566 15.112 1.00 0.00 C ATOM 0 H ALA A 63 -2.575 -8.574 13.320 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.039 -7.393 14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.364 -6.282 16.055 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.822 -5.714 14.432 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.861 -6.874 15.295 1.00 0.00 H new ATOM 1004 N PHE A 64 -0.233 -8.729 16.534 1.00 0.00 N ATOM 1005 CA PHE A 64 -0.083 -9.779 17.536 1.00 0.00 C ATOM 1006 C PHE A 64 0.473 -11.054 16.908 1.00 0.00 C ATOM 1007 O PHE A 64 -0.224 -12.058 16.759 1.00 0.00 O ATOM 1008 CB PHE A 64 -1.429 -10.071 18.204 1.00 0.00 C ATOM 1009 CG PHE A 64 -1.300 -10.715 19.554 1.00 0.00 C ATOM 1010 CD1 PHE A 64 -1.131 -9.943 20.692 1.00 0.00 C ATOM 1011 CD2 PHE A 64 -1.347 -12.094 19.686 1.00 0.00 C ATOM 1012 CE1 PHE A 64 -1.013 -10.533 21.936 1.00 0.00 C ATOM 1013 CE2 PHE A 64 -1.229 -12.690 20.927 1.00 0.00 C ATOM 1014 CZ PHE A 64 -1.061 -11.908 22.054 1.00 0.00 C ATOM 0 H PHE A 64 0.289 -7.876 16.736 1.00 0.00 H new ATOM 0 HA PHE A 64 0.621 -9.429 18.291 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.985 -9.139 18.306 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.015 -10.721 17.554 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.091 -8.867 20.606 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.477 -12.710 18.808 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.883 -9.919 22.815 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.268 -13.766 21.016 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.967 -12.371 23.025 1.00 0.00 H new ATOM 1024 N PRO A 65 1.759 -11.014 16.531 1.00 0.00 N ATOM 1025 CA PRO A 65 2.439 -12.157 15.914 1.00 0.00 C ATOM 1026 C PRO A 65 2.661 -13.300 16.898 1.00 0.00 C ATOM 1027 O PRO A 65 2.185 -13.257 18.033 1.00 0.00 O ATOM 1028 CB PRO A 65 3.779 -11.572 15.463 1.00 0.00 C ATOM 1029 CG PRO A 65 4.010 -10.412 16.369 1.00 0.00 C ATOM 1030 CD PRO A 65 2.650 -9.851 16.678 1.00 0.00 C ATOM 0 HA PRO A 65 1.853 -12.590 15.103 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.580 -12.306 15.548 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.743 -11.258 14.420 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.520 -10.724 17.281 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.642 -9.663 15.891 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.606 -9.436 17.685 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.381 -9.049 15.991 1.00 0.00 H new ATOM 1038 N VAL A 66 3.387 -14.323 16.457 1.00 0.00 N ATOM 1039 CA VAL A 66 3.674 -15.477 17.300 1.00 0.00 C ATOM 1040 C VAL A 66 4.666 -15.120 18.402 1.00 0.00 C ATOM 1041 O VAL A 66 5.104 -13.976 18.509 1.00 0.00 O ATOM 1042 CB VAL A 66 4.239 -16.648 16.475 1.00 0.00 C ATOM 1043 CG1 VAL A 66 3.254 -17.064 15.393 1.00 0.00 C ATOM 1044 CG2 VAL A 66 5.583 -16.272 15.868 1.00 0.00 C ATOM 0 H VAL A 66 3.787 -14.376 15.520 1.00 0.00 H new ATOM 0 HA VAL A 66 2.730 -15.782 17.751 1.00 0.00 H new ATOM 0 HB VAL A 66 4.391 -17.498 17.140 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.671 -17.893 14.821 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.317 -17.377 15.854 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.067 -16.221 14.728 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.968 -17.111 15.288 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.459 -15.407 15.216 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.286 -16.028 16.664 1.00 0.00 H new ATOM 1054 N ASN A 67 5.015 -16.109 19.218 1.00 0.00 N ATOM 1055 CA ASN A 67 5.956 -15.899 20.313 1.00 0.00 C ATOM 1056 C ASN A 67 7.243 -16.686 20.082 1.00 0.00 C ATOM 1057 O ASN A 67 7.404 -17.795 20.588 1.00 0.00 O ATOM 1058 CB ASN A 67 5.324 -16.313 21.643 1.00 0.00 C ATOM 1059 CG ASN A 67 5.986 -15.644 22.832 1.00 0.00 C ATOM 1060 OD1 ASN A 67 6.852 -16.227 23.484 1.00 0.00 O ATOM 1061 ND2 ASN A 67 5.580 -14.412 23.118 1.00 0.00 N ATOM 0 H ASN A 67 4.661 -17.063 19.142 1.00 0.00 H new ATOM 0 HA ASN A 67 6.201 -14.838 20.350 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.264 -16.061 21.632 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.393 -17.395 21.754 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.989 -13.910 23.906 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.859 -13.968 22.550 1.00 0.00 H new ATOM 1068 N GLY A 68 8.158 -16.101 19.314 1.00 0.00 N ATOM 1069 CA GLY A 68 9.419 -16.761 19.030 1.00 0.00 C ATOM 1070 C GLY A 68 10.614 -15.867 19.298 1.00 0.00 C ATOM 1071 O GLY A 68 11.003 -15.668 20.448 1.00 0.00 O ATOM 0 H GLY A 68 8.048 -15.183 18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.499 -17.662 19.638 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.433 -17.078 17.987 1.00 0.00 H new ATOM 1075 N ALA A 69 11.198 -15.328 18.233 1.00 0.00 N ATOM 1076 CA ALA A 69 12.355 -14.451 18.358 1.00 0.00 C ATOM 1077 C ALA A 69 11.947 -12.986 18.254 1.00 0.00 C ATOM 1078 O ALA A 69 11.433 -12.547 17.225 1.00 0.00 O ATOM 1079 CB ALA A 69 13.392 -14.790 17.297 1.00 0.00 C ATOM 0 H ALA A 69 10.888 -15.484 17.274 1.00 0.00 H new ATOM 0 HA ALA A 69 12.795 -14.609 19.343 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.251 -14.127 17.402 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.715 -15.824 17.421 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.955 -14.662 16.307 1.00 0.00 H new ATOM 1085 N ASP A 70 12.179 -12.234 19.324 1.00 0.00 N ATOM 1086 CA ASP A 70 11.836 -10.817 19.352 1.00 0.00 C ATOM 1087 C ASP A 70 13.016 -9.963 18.899 1.00 0.00 C ATOM 1088 O ASP A 70 12.856 -8.784 18.579 1.00 0.00 O ATOM 1089 CB ASP A 70 11.402 -10.403 20.759 1.00 0.00 C ATOM 1090 CG ASP A 70 10.586 -9.126 20.761 1.00 0.00 C ATOM 1091 OD1 ASP A 70 9.651 -9.016 19.939 1.00 0.00 O ATOM 1092 OD2 ASP A 70 10.880 -8.235 21.585 1.00 0.00 O ATOM 0 H ASP A 70 12.603 -12.582 20.184 1.00 0.00 H new ATOM 0 HA ASP A 70 11.008 -10.656 18.662 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.816 -11.206 21.206 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.285 -10.267 21.383 1.00 0.00 H new ATOM 1097 N LEU A 71 14.200 -10.564 18.875 1.00 0.00 N ATOM 1098 CA LEU A 71 15.408 -9.858 18.462 1.00 0.00 C ATOM 1099 C LEU A 71 15.555 -9.872 16.944 1.00 0.00 C ATOM 1100 O LEU A 71 15.182 -10.841 16.283 1.00 0.00 O ATOM 1101 CB LEU A 71 16.640 -10.493 19.111 1.00 0.00 C ATOM 1102 CG LEU A 71 16.928 -10.078 20.554 1.00 0.00 C ATOM 1103 CD1 LEU A 71 17.788 -11.122 21.248 1.00 0.00 C ATOM 1104 CD2 LEU A 71 17.605 -8.716 20.592 1.00 0.00 C ATOM 0 H LEU A 71 14.350 -11.538 19.137 1.00 0.00 H new ATOM 0 HA LEU A 71 15.324 -8.822 18.791 1.00 0.00 H new ATOM 0 HB2 LEU A 71 16.523 -11.576 19.082 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.512 -10.250 18.503 1.00 0.00 H new ATOM 0 HG LEU A 71 15.980 -10.005 21.087 1.00 0.00 H new ATOM 0 HD11 LEU A 71 17.983 -10.809 22.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.266 -12.079 21.253 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.733 -11.227 20.715 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.802 -8.437 21.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.545 -8.762 20.043 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.953 -7.973 20.134 1.00 0.00 H new ATOM 1116 N TYR A 72 16.101 -8.791 16.398 1.00 0.00 N ATOM 1117 CA TYR A 72 16.297 -8.678 14.958 1.00 0.00 C ATOM 1118 C TYR A 72 17.770 -8.467 14.623 1.00 0.00 C ATOM 1119 O TYR A 72 18.520 -7.889 15.410 1.00 0.00 O ATOM 1120 CB TYR A 72 15.465 -7.523 14.398 1.00 0.00 C ATOM 1121 CG TYR A 72 15.894 -6.165 14.906 1.00 0.00 C ATOM 1122 CD1 TYR A 72 16.859 -5.424 14.235 1.00 0.00 C ATOM 1123 CD2 TYR A 72 15.336 -5.624 16.057 1.00 0.00 C ATOM 1124 CE1 TYR A 72 17.254 -4.183 14.696 1.00 0.00 C ATOM 1125 CE2 TYR A 72 15.724 -4.383 16.525 1.00 0.00 C ATOM 1126 CZ TYR A 72 16.684 -3.667 15.840 1.00 0.00 C ATOM 1127 OH TYR A 72 17.075 -2.432 16.303 1.00 0.00 O ATOM 0 H TYR A 72 16.416 -7.980 16.931 1.00 0.00 H new ATOM 0 HA TYR A 72 15.969 -9.610 14.498 1.00 0.00 H new ATOM 0 HB2 TYR A 72 15.532 -7.532 13.310 1.00 0.00 H new ATOM 0 HB3 TYR A 72 14.418 -7.683 14.654 1.00 0.00 H new ATOM 0 HD1 TYR A 72 17.308 -5.825 13.338 1.00 0.00 H new ATOM 0 HD2 TYR A 72 14.585 -6.183 16.596 1.00 0.00 H new ATOM 0 HE1 TYR A 72 18.006 -3.620 14.163 1.00 0.00 H new ATOM 0 HE2 TYR A 72 15.279 -3.976 17.421 1.00 0.00 H new ATOM 0 HH TYR A 72 16.576 -2.215 17.118 1.00 0.00 H new ATOM 1137 N GLU A 73 18.177 -8.938 13.449 1.00 0.00 N ATOM 1138 CA GLU A 73 19.561 -8.802 13.009 1.00 0.00 C ATOM 1139 C GLU A 73 19.638 -8.650 11.493 1.00 0.00 C ATOM 1140 O GLU A 73 19.251 -9.551 10.749 1.00 0.00 O ATOM 1141 CB GLU A 73 20.383 -10.013 13.454 1.00 0.00 C ATOM 1142 CG GLU A 73 21.866 -9.721 13.604 1.00 0.00 C ATOM 1143 CD GLU A 73 22.567 -9.559 12.269 1.00 0.00 C ATOM 1144 OE1 GLU A 73 22.249 -10.324 11.335 1.00 0.00 O ATOM 1145 OE2 GLU A 73 23.432 -8.665 12.159 1.00 0.00 O ATOM 0 H GLU A 73 17.569 -9.417 12.785 1.00 0.00 H new ATOM 0 HA GLU A 73 19.974 -7.904 13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.995 -10.375 14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.251 -10.817 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 73 21.996 -8.812 14.191 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.337 -10.530 14.162 1.00 0.00 H new ATOM 1152 N GLU A 74 20.139 -7.504 11.043 1.00 0.00 N ATOM 1153 CA GLU A 74 20.265 -7.234 9.616 1.00 0.00 C ATOM 1154 C GLU A 74 21.631 -6.635 9.293 1.00 0.00 C ATOM 1155 O GLU A 74 22.200 -5.892 10.094 1.00 0.00 O ATOM 1156 CB GLU A 74 19.158 -6.284 9.154 1.00 0.00 C ATOM 1157 CG GLU A 74 19.029 -5.037 10.012 1.00 0.00 C ATOM 1158 CD GLU A 74 18.047 -4.034 9.439 1.00 0.00 C ATOM 1159 OE1 GLU A 74 18.427 -3.301 8.502 1.00 0.00 O ATOM 1160 OE2 GLU A 74 16.899 -3.981 9.927 1.00 0.00 O ATOM 0 H GLU A 74 20.464 -6.748 11.646 1.00 0.00 H new ATOM 0 HA GLU A 74 20.168 -8.180 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 74 19.352 -5.987 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.208 -6.818 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.709 -5.322 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.007 -4.566 10.112 1.00 0.00 H new ATOM 1167 N LEU A 75 22.152 -6.965 8.117 1.00 0.00 N ATOM 1168 CA LEU A 75 23.452 -6.461 7.688 1.00 0.00 C ATOM 1169 C LEU A 75 23.334 -5.038 7.150 1.00 0.00 C ATOM 1170 O LEU A 75 23.567 -4.788 5.968 1.00 0.00 O ATOM 1171 CB LEU A 75 24.047 -7.375 6.615 1.00 0.00 C ATOM 1172 CG LEU A 75 25.555 -7.255 6.392 1.00 0.00 C ATOM 1173 CD1 LEU A 75 26.317 -7.879 7.550 1.00 0.00 C ATOM 1174 CD2 LEU A 75 25.953 -7.907 5.076 1.00 0.00 C ATOM 0 H LEU A 75 21.695 -7.579 7.443 1.00 0.00 H new ATOM 0 HA LEU A 75 24.113 -6.449 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 75 23.820 -8.408 6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 75 23.543 -7.170 5.671 1.00 0.00 H new ATOM 0 HG LEU A 75 25.813 -6.197 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.388 -7.784 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 75 26.055 -7.367 8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 75 26.055 -8.934 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 75 27.030 -7.812 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 75 25.681 -8.962 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 75 25.434 -7.414 4.254 1.00 0.00 H new ATOM 1186 N LYS A 76 22.971 -4.108 8.027 1.00 0.00 N ATOM 1187 CA LYS A 76 22.825 -2.709 7.644 1.00 0.00 C ATOM 1188 C LYS A 76 24.189 -2.045 7.479 1.00 0.00 C ATOM 1189 O LYS A 76 24.354 -1.135 6.665 1.00 0.00 O ATOM 1190 CB LYS A 76 22.002 -1.955 8.690 1.00 0.00 C ATOM 1191 CG LYS A 76 21.594 -0.559 8.253 1.00 0.00 C ATOM 1192 CD LYS A 76 20.513 0.014 9.154 1.00 0.00 C ATOM 1193 CE LYS A 76 21.111 0.756 10.339 1.00 0.00 C ATOM 1194 NZ LYS A 76 20.069 1.164 11.322 1.00 0.00 N ATOM 0 H LYS A 76 22.772 -4.299 9.009 1.00 0.00 H new ATOM 0 HA LYS A 76 22.304 -2.673 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.106 -2.531 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.579 -1.884 9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.465 0.096 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.233 -0.589 7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.881 0.692 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.873 -0.791 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.846 0.120 10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.641 1.640 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.517 1.667 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.381 1.792 10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.580 0.319 11.680 1.00 0.00 H new ATOM 1208 N THR A 77 25.165 -2.507 8.254 1.00 0.00 N ATOM 1209 CA THR A 77 26.514 -1.958 8.194 1.00 0.00 C ATOM 1210 C THR A 77 26.532 -0.496 8.626 1.00 0.00 C ATOM 1211 O THR A 77 27.188 0.337 8.000 1.00 0.00 O ATOM 1212 CB THR A 77 27.102 -2.070 6.775 1.00 0.00 C ATOM 1213 OG1 THR A 77 26.603 -3.246 6.128 1.00 0.00 O ATOM 1214 CG2 THR A 77 28.622 -2.118 6.822 1.00 0.00 C ATOM 0 H THR A 77 25.046 -3.261 8.931 1.00 0.00 H new ATOM 0 HA THR A 77 27.125 -2.544 8.880 1.00 0.00 H new ATOM 0 HB THR A 77 26.798 -1.189 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 77 26.981 -3.308 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 77 29.015 -2.197 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 77 29.001 -1.208 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 77 28.941 -2.983 7.403 1.00 0.00 H new ATOM 1222 N SER A 78 25.810 -0.192 9.699 1.00 0.00 N ATOM 1223 CA SER A 78 25.741 1.171 10.213 1.00 0.00 C ATOM 1224 C SER A 78 26.629 1.333 11.443 1.00 0.00 C ATOM 1225 O SER A 78 27.237 2.384 11.651 1.00 0.00 O ATOM 1226 CB SER A 78 24.297 1.536 10.561 1.00 0.00 C ATOM 1227 OG SER A 78 23.904 0.947 11.789 1.00 0.00 O ATOM 0 H SER A 78 25.264 -0.871 10.230 1.00 0.00 H new ATOM 0 HA SER A 78 26.100 1.845 9.435 1.00 0.00 H new ATOM 0 HB2 SER A 78 24.198 2.620 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.632 1.202 9.765 1.00 0.00 H new ATOM 0 HG SER A 78 23.131 1.429 12.150 1.00 0.00 H new ATOM 1233 N THR A 79 26.699 0.284 12.257 1.00 0.00 N ATOM 1234 CA THR A 79 27.511 0.309 13.467 1.00 0.00 C ATOM 1235 C THR A 79 28.998 0.289 13.132 1.00 0.00 C ATOM 1236 O THR A 79 29.461 -0.558 12.369 1.00 0.00 O ATOM 1237 CB THR A 79 27.187 -0.885 14.385 1.00 0.00 C ATOM 1238 OG1 THR A 79 25.769 -1.009 14.545 1.00 0.00 O ATOM 1239 CG2 THR A 79 27.843 -0.714 15.747 1.00 0.00 C ATOM 0 H THR A 79 26.203 -0.593 12.100 1.00 0.00 H new ATOM 0 HA THR A 79 27.272 1.235 13.989 1.00 0.00 H new ATOM 0 HB THR A 79 27.580 -1.789 13.921 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.571 -1.771 15.128 1.00 0.00 H new ATOM 0 HG21 THR A 79 27.600 -1.569 16.378 1.00 0.00 H new ATOM 0 HG22 THR A 79 28.924 -0.649 15.625 1.00 0.00 H new ATOM 0 HG23 THR A 79 27.475 0.199 16.216 1.00 0.00 H new ATOM 1247 N ALA A 80 29.742 1.228 13.709 1.00 0.00 N ATOM 1248 CA ALA A 80 31.178 1.316 13.473 1.00 0.00 C ATOM 1249 C ALA A 80 31.860 2.155 14.548 1.00 0.00 C ATOM 1250 O ALA A 80 31.196 2.750 15.398 1.00 0.00 O ATOM 1251 CB ALA A 80 31.451 1.897 12.094 1.00 0.00 C ATOM 0 H ALA A 80 29.374 1.938 14.343 1.00 0.00 H new ATOM 0 HA ALA A 80 31.592 0.309 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 80 32.527 1.957 11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 80 31.004 1.256 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 80 31.018 2.895 12.027 1.00 0.00 H new ATOM 1257 N ILE A 81 33.187 2.197 14.506 1.00 0.00 N ATOM 1258 CA ILE A 81 33.958 2.964 15.476 1.00 0.00 C ATOM 1259 C ILE A 81 33.620 4.449 15.397 1.00 0.00 C ATOM 1260 O ILE A 81 33.589 5.033 14.313 1.00 0.00 O ATOM 1261 CB ILE A 81 35.472 2.781 15.263 1.00 0.00 C ATOM 1262 CG1 ILE A 81 35.849 1.302 15.364 1.00 0.00 C ATOM 1263 CG2 ILE A 81 36.253 3.602 16.279 1.00 0.00 C ATOM 1264 CD1 ILE A 81 37.202 0.981 14.769 1.00 0.00 C ATOM 0 H ILE A 81 33.751 1.709 13.810 1.00 0.00 H new ATOM 0 HA ILE A 81 33.690 2.585 16.462 1.00 0.00 H new ATOM 0 HB ILE A 81 35.728 3.134 14.264 1.00 0.00 H new ATOM 0 HG12 ILE A 81 35.843 1.005 16.413 1.00 0.00 H new ATOM 0 HG13 ILE A 81 35.089 0.706 14.859 1.00 0.00 H new ATOM 0 HG21 ILE A 81 37.322 3.462 16.116 1.00 0.00 H new ATOM 0 HG22 ILE A 81 36.003 4.657 16.164 1.00 0.00 H new ATOM 0 HG23 ILE A 81 35.994 3.276 17.286 1.00 0.00 H new ATOM 0 HD11 ILE A 81 37.403 -0.085 14.876 1.00 0.00 H new ATOM 0 HD12 ILE A 81 37.207 1.247 13.712 1.00 0.00 H new ATOM 0 HD13 ILE A 81 37.973 1.550 15.290 1.00 0.00 H new ATOM 1276 N LEU A 82 33.370 5.056 16.552 1.00 0.00 N ATOM 1277 CA LEU A 82 33.036 6.474 16.614 1.00 0.00 C ATOM 1278 C LEU A 82 34.144 7.265 17.303 1.00 0.00 C ATOM 1279 O LEU A 82 34.691 8.210 16.735 1.00 0.00 O ATOM 1280 CB LEU A 82 31.714 6.675 17.357 1.00 0.00 C ATOM 1281 CG LEU A 82 30.462 6.153 16.651 1.00 0.00 C ATOM 1282 CD1 LEU A 82 29.402 5.757 17.667 1.00 0.00 C ATOM 1283 CD2 LEU A 82 29.917 7.198 15.689 1.00 0.00 C ATOM 0 H LEU A 82 33.392 4.588 17.458 1.00 0.00 H new ATOM 0 HA LEU A 82 32.932 6.842 15.593 1.00 0.00 H new ATOM 0 HB2 LEU A 82 31.789 6.188 18.329 1.00 0.00 H new ATOM 0 HB3 LEU A 82 31.584 7.741 17.544 1.00 0.00 H new ATOM 0 HG LEU A 82 30.735 5.267 16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 82 28.519 5.388 17.146 1.00 0.00 H new ATOM 0 HD12 LEU A 82 29.794 4.974 18.316 1.00 0.00 H new ATOM 0 HD13 LEU A 82 29.132 6.625 18.269 1.00 0.00 H new ATOM 0 HD21 LEU A 82 29.026 6.809 15.196 1.00 0.00 H new ATOM 0 HD22 LEU A 82 29.660 8.102 16.241 1.00 0.00 H new ATOM 0 HD23 LEU A 82 30.673 7.433 14.940 1.00 0.00 H new ATOM 1295 N SER A 83 34.471 6.869 18.529 1.00 0.00 N ATOM 1296 CA SER A 83 35.513 7.541 19.297 1.00 0.00 C ATOM 1297 C SER A 83 36.871 6.890 19.055 1.00 0.00 C ATOM 1298 O SER A 83 37.843 7.565 18.717 1.00 0.00 O ATOM 1299 CB SER A 83 35.178 7.509 20.789 1.00 0.00 C ATOM 1300 OG SER A 83 36.089 8.300 21.533 1.00 0.00 O ATOM 0 H SER A 83 34.030 6.086 19.012 1.00 0.00 H new ATOM 0 HA SER A 83 35.562 8.578 18.966 1.00 0.00 H new ATOM 0 HB2 SER A 83 34.163 7.874 20.945 1.00 0.00 H new ATOM 0 HB3 SER A 83 35.206 6.481 21.149 1.00 0.00 H new ATOM 0 HG SER A 83 35.853 8.264 22.483 1.00 0.00 H new TER 1306 SER A 83