USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 18 MET CE :methyl -147:sc= -3.68! (180deg=-3.04!) USER MOD Set 1.2: A 21 MET CE :methyl -175:sc= -5.02! (180deg=-5.27!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= -0.593 (180deg=-2.32!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.628 K(o=-0.63,f=-5.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 36 THR OG1 : rot 65:sc= 1.32 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0.78 (180deg=0.647) USER MOD Single : A 38 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.46) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 63:sc= -0.59 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -25:sc= 1.37 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= -0.0952 K(o=-0.095,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.884 1.617 -7.861 1.00 23.14 N ATOM 2 CA GLY A 1 10.487 1.394 -6.560 1.00 24.04 C ATOM 3 C GLY A 1 9.751 0.345 -5.751 1.00 74.41 C ATOM 4 O GLY A 1 10.239 -0.766 -5.544 1.00 24.25 O ATOM 0 H1 GLY A 1 10.533 1.291 -8.605 1.00 23.14 H new ATOM 0 H2 GLY A 1 8.991 1.088 -7.925 1.00 23.14 H new ATOM 0 H3 GLY A 1 9.695 2.632 -7.987 1.00 23.14 H new ATOM 0 HA2 GLY A 1 11.524 1.085 -6.692 1.00 24.04 H new ATOM 0 HA3 GLY A 1 10.502 2.332 -6.005 1.00 24.04 H new ATOM 8 N PRO A 2 8.546 0.695 -5.278 1.00 13.25 N ATOM 9 CA PRO A 2 7.715 -0.211 -4.478 1.00 40.45 C ATOM 10 C PRO A 2 7.163 -1.369 -5.302 1.00 60.11 C ATOM 11 O PRO A 2 6.746 -1.187 -6.447 1.00 31.33 O ATOM 12 CB PRO A 2 6.577 0.689 -3.991 1.00 54.21 C ATOM 13 CG PRO A 2 6.494 1.778 -5.004 1.00 44.33 C ATOM 14 CD PRO A 2 7.901 2.003 -5.486 1.00 60.42 C ATOM 0 HA PRO A 2 8.281 -0.679 -3.672 1.00 40.45 H new ATOM 0 HB2 PRO A 2 5.638 0.139 -3.924 1.00 54.21 H new ATOM 0 HB3 PRO A 2 6.785 1.087 -2.998 1.00 54.21 H new ATOM 0 HG2 PRO A 2 5.840 1.495 -5.828 1.00 44.33 H new ATOM 0 HG3 PRO A 2 6.081 2.687 -4.567 1.00 44.33 H new ATOM 0 HD2 PRO A 2 7.924 2.300 -6.534 1.00 60.42 H new ATOM 0 HD3 PRO A 2 8.398 2.791 -4.920 1.00 60.42 H new ATOM 22 N LEU A 3 7.163 -2.560 -4.713 1.00 53.04 N ATOM 23 CA LEU A 3 6.661 -3.749 -5.393 1.00 31.30 C ATOM 24 C LEU A 3 6.564 -4.927 -4.429 1.00 35.13 C ATOM 25 O LEU A 3 7.496 -5.205 -3.676 1.00 21.01 O ATOM 26 CB LEU A 3 7.571 -4.111 -6.568 1.00 73.41 C ATOM 27 CG LEU A 3 6.867 -4.437 -7.886 1.00 43.42 C ATOM 28 CD1 LEU A 3 7.783 -4.148 -9.065 1.00 64.54 C ATOM 29 CD2 LEU A 3 6.413 -5.889 -7.904 1.00 53.30 C ATOM 0 H LEU A 3 7.505 -2.728 -3.767 1.00 53.04 H new ATOM 0 HA LEU A 3 5.662 -3.528 -5.769 1.00 31.30 H new ATOM 0 HB2 LEU A 3 8.256 -3.281 -6.741 1.00 73.41 H new ATOM 0 HB3 LEU A 3 8.177 -4.970 -6.281 1.00 73.41 H new ATOM 0 HG LEU A 3 5.986 -3.801 -7.972 1.00 43.42 H new ATOM 0 HD11 LEU A 3 7.266 -4.386 -9.994 1.00 64.54 H new ATOM 0 HD12 LEU A 3 8.058 -3.093 -9.062 1.00 64.54 H new ATOM 0 HD13 LEU A 3 8.683 -4.758 -8.985 1.00 64.54 H new ATOM 0 HD21 LEU A 3 5.914 -6.103 -8.849 1.00 53.30 H new ATOM 0 HD22 LEU A 3 7.279 -6.542 -7.795 1.00 53.30 H new ATOM 0 HD23 LEU A 3 5.720 -6.064 -7.081 1.00 53.30 H new ATOM 41 N GLY A 4 5.428 -5.618 -4.459 1.00 32.10 N ATOM 42 CA GLY A 4 5.230 -6.759 -3.585 1.00 24.44 C ATOM 43 C GLY A 4 4.258 -7.769 -4.160 1.00 71.55 C ATOM 44 O GLY A 4 3.106 -7.440 -4.444 1.00 62.53 O ATOM 0 H GLY A 4 4.641 -5.407 -5.073 1.00 32.10 H new ATOM 0 HA2 GLY A 4 6.189 -7.245 -3.404 1.00 24.44 H new ATOM 0 HA3 GLY A 4 4.861 -6.413 -2.620 1.00 24.44 H new ATOM 48 N SER A 5 4.722 -9.003 -4.335 1.00 41.32 N ATOM 49 CA SER A 5 3.887 -10.063 -4.886 1.00 74.04 C ATOM 50 C SER A 5 3.527 -11.085 -3.812 1.00 72.03 C ATOM 51 O SER A 5 4.403 -11.723 -3.230 1.00 21.00 O ATOM 52 CB SER A 5 4.605 -10.756 -6.046 1.00 34.30 C ATOM 53 OG SER A 5 3.686 -11.162 -7.045 1.00 54.35 O ATOM 0 H SER A 5 5.672 -9.293 -4.103 1.00 41.32 H new ATOM 0 HA SER A 5 2.966 -9.611 -5.256 1.00 74.04 H new ATOM 0 HB2 SER A 5 5.341 -10.079 -6.479 1.00 34.30 H new ATOM 0 HB3 SER A 5 5.150 -11.624 -5.674 1.00 34.30 H new ATOM 0 HG SER A 5 4.170 -11.601 -7.776 1.00 54.35 H new ATOM 59 N GLU A 6 2.231 -11.234 -3.556 1.00 52.32 N ATOM 60 CA GLU A 6 1.755 -12.177 -2.552 1.00 32.35 C ATOM 61 C GLU A 6 0.914 -13.277 -3.193 1.00 71.23 C ATOM 62 O GLU A 6 0.523 -13.176 -4.356 1.00 13.44 O ATOM 63 CB GLU A 6 0.934 -11.450 -1.485 1.00 1.34 C ATOM 64 CG GLU A 6 -0.064 -10.457 -2.056 1.00 43.34 C ATOM 65 CD GLU A 6 -1.247 -10.224 -1.137 1.00 73.25 C ATOM 66 OE1 GLU A 6 -1.613 -11.157 -0.393 1.00 35.30 O ATOM 67 OE2 GLU A 6 -1.807 -9.108 -1.163 1.00 51.01 O ATOM 0 H GLU A 6 1.493 -10.714 -4.030 1.00 52.32 H new ATOM 0 HA GLU A 6 2.625 -12.636 -2.082 1.00 32.35 H new ATOM 0 HB2 GLU A 6 0.398 -12.187 -0.886 1.00 1.34 H new ATOM 0 HB3 GLU A 6 1.612 -10.925 -0.812 1.00 1.34 H new ATOM 0 HG2 GLU A 6 0.439 -9.508 -2.242 1.00 43.34 H new ATOM 0 HG3 GLU A 6 -0.423 -10.821 -3.019 1.00 43.34 H new ATOM 74 N ALA A 7 0.641 -14.328 -2.427 1.00 74.11 N ATOM 75 CA ALA A 7 -0.154 -15.446 -2.919 1.00 75.24 C ATOM 76 C ALA A 7 -0.761 -16.238 -1.766 1.00 74.11 C ATOM 77 O ALA A 7 -0.620 -15.864 -0.602 1.00 30.13 O ATOM 78 CB ALA A 7 0.697 -16.354 -3.795 1.00 54.11 C ATOM 0 H ALA A 7 0.959 -14.428 -1.463 1.00 74.11 H new ATOM 0 HA ALA A 7 -0.971 -15.043 -3.518 1.00 75.24 H new ATOM 0 HB1 ALA A 7 0.090 -17.185 -4.155 1.00 54.11 H new ATOM 0 HB2 ALA A 7 1.078 -15.787 -4.645 1.00 54.11 H new ATOM 0 HB3 ALA A 7 1.533 -16.741 -3.213 1.00 54.11 H new ATOM 84 N ASP A 8 -1.438 -17.332 -2.097 1.00 65.54 N ATOM 85 CA ASP A 8 -2.066 -18.178 -1.089 1.00 11.43 C ATOM 86 C ASP A 8 -1.594 -19.622 -1.219 1.00 72.35 C ATOM 87 O ASP A 8 -1.093 -20.046 -2.261 1.00 41.53 O ATOM 88 CB ASP A 8 -3.589 -18.112 -1.215 1.00 1.14 C ATOM 89 CG ASP A 8 -4.237 -17.409 -0.038 1.00 74.41 C ATOM 90 OD1 ASP A 8 -3.761 -16.318 0.337 1.00 25.10 O ATOM 91 OD2 ASP A 8 -5.221 -17.951 0.508 1.00 34.22 O ATOM 0 H ASP A 8 -1.566 -17.654 -3.056 1.00 65.54 H new ATOM 0 HA ASP A 8 -1.774 -17.808 -0.106 1.00 11.43 H new ATOM 0 HB2 ASP A 8 -3.852 -17.591 -2.136 1.00 1.14 H new ATOM 0 HB3 ASP A 8 -3.988 -19.123 -1.295 1.00 1.14 H new ATOM 96 N PRO A 9 -1.756 -20.398 -0.138 1.00 35.44 N ATOM 97 CA PRO A 9 -1.353 -21.807 -0.106 1.00 60.43 C ATOM 98 C PRO A 9 -2.237 -22.683 -0.988 1.00 64.10 C ATOM 99 O PRO A 9 -1.764 -23.641 -1.599 1.00 60.45 O ATOM 100 CB PRO A 9 -1.519 -22.191 1.366 1.00 21.31 C ATOM 101 CG PRO A 9 -2.545 -21.247 1.890 1.00 33.34 C ATOM 102 CD PRO A 9 -2.347 -19.960 1.138 1.00 22.33 C ATOM 0 HA PRO A 9 -0.341 -21.950 -0.486 1.00 60.43 H new ATOM 0 HB2 PRO A 9 -1.843 -23.226 1.471 1.00 21.31 H new ATOM 0 HB3 PRO A 9 -0.579 -22.095 1.909 1.00 21.31 H new ATOM 0 HG2 PRO A 9 -3.550 -21.638 1.735 1.00 33.34 H new ATOM 0 HG3 PRO A 9 -2.424 -21.095 2.962 1.00 33.34 H new ATOM 0 HD2 PRO A 9 -3.290 -19.435 0.985 1.00 22.33 H new ATOM 0 HD3 PRO A 9 -1.686 -19.279 1.674 1.00 22.33 H new ATOM 110 N ARG A 10 -3.521 -22.348 -1.049 1.00 51.43 N ATOM 111 CA ARG A 10 -4.471 -23.104 -1.856 1.00 62.51 C ATOM 112 C ARG A 10 -4.521 -22.567 -3.283 1.00 71.24 C ATOM 113 O ARG A 10 -5.367 -22.973 -4.082 1.00 24.43 O ATOM 114 CB ARG A 10 -5.865 -23.047 -1.229 1.00 22.22 C ATOM 115 CG ARG A 10 -5.890 -23.449 0.237 1.00 52.11 C ATOM 116 CD ARG A 10 -5.472 -24.899 0.425 1.00 41.25 C ATOM 117 NE ARG A 10 -6.416 -25.637 1.260 1.00 64.04 N ATOM 118 CZ ARG A 10 -6.443 -25.556 2.585 1.00 13.02 C ATOM 119 NH1 ARG A 10 -5.584 -24.773 3.223 1.00 71.01 N ATOM 120 NH2 ARG A 10 -7.332 -26.259 3.276 1.00 51.23 N ATOM 0 H ARG A 10 -3.928 -21.558 -0.549 1.00 51.43 H new ATOM 0 HA ARG A 10 -4.137 -24.141 -1.888 1.00 62.51 H new ATOM 0 HB2 ARG A 10 -6.257 -22.035 -1.326 1.00 22.22 H new ATOM 0 HB3 ARG A 10 -6.533 -23.702 -1.788 1.00 22.22 H new ATOM 0 HG2 ARG A 10 -5.223 -22.800 0.805 1.00 52.11 H new ATOM 0 HG3 ARG A 10 -6.893 -23.304 0.638 1.00 52.11 H new ATOM 0 HD2 ARG A 10 -5.394 -25.383 -0.549 1.00 41.25 H new ATOM 0 HD3 ARG A 10 -4.482 -24.935 0.879 1.00 41.25 H new ATOM 0 HE ARG A 10 -7.091 -26.248 0.800 1.00 64.04 H new ATOM 0 HH11 ARG A 10 -4.900 -24.231 2.696 1.00 71.01 H new ATOM 0 HH12 ARG A 10 -5.607 -24.713 4.241 1.00 71.01 H new ATOM 0 HH21 ARG A 10 -7.995 -26.862 2.789 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -7.352 -26.196 4.294 1.00 51.23 H new ATOM 134 N LEU A 11 -3.611 -21.652 -3.598 1.00 12.24 N ATOM 135 CA LEU A 11 -3.551 -21.058 -4.929 1.00 15.12 C ATOM 136 C LEU A 11 -2.242 -21.412 -5.625 1.00 65.50 C ATOM 137 O LEU A 11 -2.232 -21.783 -6.799 1.00 40.24 O ATOM 138 CB LEU A 11 -3.699 -19.538 -4.838 1.00 23.04 C ATOM 139 CG LEU A 11 -3.424 -18.759 -6.124 1.00 41.32 C ATOM 140 CD1 LEU A 11 -4.542 -18.980 -7.131 1.00 41.22 C ATOM 141 CD2 LEU A 11 -3.259 -17.276 -5.825 1.00 1.13 C ATOM 0 H LEU A 11 -2.904 -21.305 -2.950 1.00 12.24 H new ATOM 0 HA LEU A 11 -4.374 -21.462 -5.518 1.00 15.12 H new ATOM 0 HB2 LEU A 11 -4.713 -19.311 -4.509 1.00 23.04 H new ATOM 0 HB3 LEU A 11 -3.024 -19.173 -4.064 1.00 23.04 H new ATOM 0 HG LEU A 11 -2.494 -19.127 -6.557 1.00 41.32 H new ATOM 0 HD11 LEU A 11 -4.329 -18.418 -8.040 1.00 41.22 H new ATOM 0 HD12 LEU A 11 -4.613 -20.041 -7.369 1.00 41.22 H new ATOM 0 HD13 LEU A 11 -5.486 -18.640 -6.707 1.00 41.22 H new ATOM 0 HD21 LEU A 11 -3.064 -16.737 -6.752 1.00 1.13 H new ATOM 0 HD22 LEU A 11 -4.172 -16.893 -5.368 1.00 1.13 H new ATOM 0 HD23 LEU A 11 -2.423 -17.134 -5.140 1.00 1.13 H new ATOM 153 N ILE A 12 -1.139 -21.299 -4.893 1.00 4.42 N ATOM 154 CA ILE A 12 0.176 -21.610 -5.439 1.00 61.53 C ATOM 155 C ILE A 12 0.222 -23.034 -5.984 1.00 34.24 C ATOM 156 O ILE A 12 0.972 -23.330 -6.913 1.00 52.42 O ATOM 157 CB ILE A 12 1.281 -21.443 -4.379 1.00 53.43 C ATOM 158 CG1 ILE A 12 1.012 -22.357 -3.182 1.00 41.41 C ATOM 159 CG2 ILE A 12 1.371 -19.991 -3.934 1.00 44.43 C ATOM 160 CD1 ILE A 12 1.929 -23.558 -3.121 1.00 43.11 C ATOM 0 H ILE A 12 -1.130 -20.994 -3.920 1.00 4.42 H new ATOM 0 HA ILE A 12 0.354 -20.906 -6.251 1.00 61.53 H new ATOM 0 HB ILE A 12 2.236 -21.728 -4.822 1.00 53.43 H new ATOM 0 HG12 ILE A 12 1.120 -21.780 -2.263 1.00 41.41 H new ATOM 0 HG13 ILE A 12 -0.022 -22.701 -3.223 1.00 41.41 H new ATOM 0 HG21 ILE A 12 2.156 -19.888 -3.185 1.00 44.43 H new ATOM 0 HG22 ILE A 12 1.604 -19.361 -4.793 1.00 44.43 H new ATOM 0 HG23 ILE A 12 0.418 -19.682 -3.505 1.00 44.43 H new ATOM 0 HD11 ILE A 12 1.681 -24.161 -2.247 1.00 43.11 H new ATOM 0 HD12 ILE A 12 1.804 -24.157 -4.023 1.00 43.11 H new ATOM 0 HD13 ILE A 12 2.964 -23.223 -3.049 1.00 43.11 H new ATOM 172 N GLU A 13 -0.588 -23.912 -5.399 1.00 3.24 N ATOM 173 CA GLU A 13 -0.640 -25.305 -5.826 1.00 40.24 C ATOM 174 C GLU A 13 -0.940 -25.405 -7.319 1.00 54.32 C ATOM 175 O GLU A 13 -0.414 -26.276 -8.012 1.00 54.52 O ATOM 176 CB GLU A 13 -1.701 -26.067 -5.029 1.00 41.34 C ATOM 177 CG GLU A 13 -3.024 -25.328 -4.916 1.00 22.03 C ATOM 178 CD GLU A 13 -4.190 -26.259 -4.647 1.00 14.41 C ATOM 179 OE1 GLU A 13 -4.781 -26.767 -5.622 1.00 72.42 O ATOM 180 OE2 GLU A 13 -4.512 -26.478 -3.460 1.00 72.12 O ATOM 0 H GLU A 13 -1.216 -23.683 -4.629 1.00 3.24 H new ATOM 0 HA GLU A 13 0.336 -25.753 -5.638 1.00 40.24 H new ATOM 0 HB2 GLU A 13 -1.874 -27.034 -5.502 1.00 41.34 H new ATOM 0 HB3 GLU A 13 -1.318 -26.265 -4.028 1.00 41.34 H new ATOM 0 HG2 GLU A 13 -2.958 -24.593 -4.114 1.00 22.03 H new ATOM 0 HG3 GLU A 13 -3.209 -24.778 -5.838 1.00 22.03 H new ATOM 187 N SER A 14 -1.790 -24.507 -7.807 1.00 54.21 N ATOM 188 CA SER A 14 -2.165 -24.496 -9.216 1.00 50.33 C ATOM 189 C SER A 14 -1.073 -23.850 -10.064 1.00 0.23 C ATOM 190 O SER A 14 -0.634 -24.414 -11.067 1.00 24.14 O ATOM 191 CB SER A 14 -3.485 -23.747 -9.409 1.00 34.30 C ATOM 192 OG SER A 14 -4.564 -24.458 -8.826 1.00 51.12 O ATOM 0 H SER A 14 -2.232 -23.778 -7.247 1.00 54.21 H new ATOM 0 HA SER A 14 -2.290 -25.529 -9.541 1.00 50.33 H new ATOM 0 HB2 SER A 14 -3.414 -22.756 -8.961 1.00 34.30 H new ATOM 0 HB3 SER A 14 -3.673 -23.603 -10.473 1.00 34.30 H new ATOM 0 HG SER A 14 -5.050 -24.945 -9.524 1.00 51.12 H new ATOM 198 N LEU A 15 -0.639 -22.663 -9.654 1.00 31.25 N ATOM 199 CA LEU A 15 0.402 -21.938 -10.374 1.00 21.42 C ATOM 200 C LEU A 15 1.594 -22.845 -10.666 1.00 53.30 C ATOM 201 O LEU A 15 2.148 -22.824 -11.765 1.00 55.42 O ATOM 202 CB LEU A 15 0.858 -20.723 -9.565 1.00 13.23 C ATOM 203 CG LEU A 15 -0.140 -19.568 -9.468 1.00 73.34 C ATOM 204 CD1 LEU A 15 -0.349 -19.163 -8.018 1.00 34.14 C ATOM 205 CD2 LEU A 15 0.336 -18.381 -10.292 1.00 64.03 C ATOM 0 H LEU A 15 -0.992 -22.182 -8.827 1.00 31.25 H new ATOM 0 HA LEU A 15 -0.015 -21.599 -11.322 1.00 21.42 H new ATOM 0 HB2 LEU A 15 1.099 -21.054 -8.555 1.00 13.23 H new ATOM 0 HB3 LEU A 15 1.780 -20.344 -10.005 1.00 13.23 H new ATOM 0 HG LEU A 15 -1.095 -19.904 -9.871 1.00 73.34 H new ATOM 0 HD11 LEU A 15 -1.062 -18.340 -7.969 1.00 34.14 H new ATOM 0 HD12 LEU A 15 -0.736 -20.012 -7.455 1.00 34.14 H new ATOM 0 HD13 LEU A 15 0.601 -18.846 -7.588 1.00 34.14 H new ATOM 0 HD21 LEU A 15 -0.386 -17.569 -10.211 1.00 64.03 H new ATOM 0 HD22 LEU A 15 1.304 -18.044 -9.920 1.00 64.03 H new ATOM 0 HD23 LEU A 15 0.432 -18.678 -11.336 1.00 64.03 H new ATOM 217 N SER A 16 1.982 -23.641 -9.675 1.00 72.23 N ATOM 218 CA SER A 16 3.109 -24.554 -9.825 1.00 72.44 C ATOM 219 C SER A 16 2.967 -25.389 -11.095 1.00 15.23 C ATOM 220 O SER A 16 3.958 -25.735 -11.736 1.00 50.44 O ATOM 221 CB SER A 16 3.214 -25.473 -8.607 1.00 31.14 C ATOM 222 OG SER A 16 3.957 -26.641 -8.911 1.00 10.23 O ATOM 0 H SER A 16 1.533 -23.672 -8.760 1.00 72.23 H new ATOM 0 HA SER A 16 4.019 -23.959 -9.902 1.00 72.44 H new ATOM 0 HB2 SER A 16 3.690 -24.939 -7.785 1.00 31.14 H new ATOM 0 HB3 SER A 16 2.215 -25.751 -8.270 1.00 31.14 H new ATOM 0 HG SER A 16 4.011 -27.211 -8.116 1.00 10.23 H new ATOM 228 N GLN A 17 1.726 -25.708 -11.449 1.00 61.14 N ATOM 229 CA GLN A 17 1.453 -26.503 -12.641 1.00 44.43 C ATOM 230 C GLN A 17 1.498 -25.636 -13.895 1.00 43.23 C ATOM 231 O GLN A 17 2.001 -26.059 -14.936 1.00 55.21 O ATOM 232 CB GLN A 17 0.088 -27.182 -12.525 1.00 61.54 C ATOM 233 CG GLN A 17 -0.163 -27.816 -11.166 1.00 42.15 C ATOM 234 CD GLN A 17 -0.658 -29.245 -11.271 1.00 53.21 C ATOM 235 OE1 GLN A 17 -1.209 -29.650 -12.295 1.00 53.43 O ATOM 236 NE2 GLN A 17 -0.464 -30.018 -10.209 1.00 74.23 N ATOM 0 H GLN A 17 0.895 -25.429 -10.928 1.00 61.14 H new ATOM 0 HA GLN A 17 2.225 -27.268 -12.722 1.00 44.43 H new ATOM 0 HB2 GLN A 17 -0.692 -26.447 -12.723 1.00 61.54 H new ATOM 0 HB3 GLN A 17 0.006 -27.949 -13.295 1.00 61.54 H new ATOM 0 HG2 GLN A 17 0.759 -27.797 -10.585 1.00 42.15 H new ATOM 0 HG3 GLN A 17 -0.896 -27.221 -10.621 1.00 42.15 H new ATOM 0 HE21 GLN A 17 -0.003 -29.641 -9.381 1.00 74.23 H new ATOM 0 HE22 GLN A 17 -0.776 -30.989 -10.221 1.00 74.23 H new ATOM 245 N MET A 18 0.969 -24.421 -13.788 1.00 64.23 N ATOM 246 CA MET A 18 0.950 -23.495 -14.914 1.00 42.43 C ATOM 247 C MET A 18 2.363 -23.049 -15.276 1.00 5.35 C ATOM 248 O MET A 18 2.823 -23.258 -16.399 1.00 42.30 O ATOM 249 CB MET A 18 0.087 -22.275 -14.584 1.00 72.54 C ATOM 250 CG MET A 18 -1.292 -22.633 -14.054 1.00 10.04 C ATOM 251 SD MET A 18 -2.610 -22.233 -15.218 1.00 25.12 S ATOM 252 CE MET A 18 -1.945 -22.924 -16.731 1.00 52.51 C ATOM 0 H MET A 18 0.548 -24.055 -12.934 1.00 64.23 H new ATOM 0 HA MET A 18 0.521 -24.014 -15.771 1.00 42.43 H new ATOM 0 HB2 MET A 18 0.604 -21.663 -13.845 1.00 72.54 H new ATOM 0 HB3 MET A 18 -0.024 -21.665 -15.481 1.00 72.54 H new ATOM 0 HG2 MET A 18 -1.324 -23.699 -13.827 1.00 10.04 H new ATOM 0 HG3 MET A 18 -1.466 -22.102 -13.118 1.00 10.04 H new ATOM 0 HE1 MET A 18 -2.264 -22.318 -17.579 1.00 52.51 H new ATOM 0 HE2 MET A 18 -0.856 -22.932 -16.680 1.00 52.51 H new ATOM 0 HE3 MET A 18 -2.310 -23.943 -16.856 1.00 52.51 H new ATOM 262 N LEU A 19 3.048 -22.434 -14.317 1.00 51.55 N ATOM 263 CA LEU A 19 4.410 -21.958 -14.535 1.00 54.40 C ATOM 264 C LEU A 19 5.309 -23.087 -15.027 1.00 1.11 C ATOM 265 O LEU A 19 6.228 -22.864 -15.815 1.00 2.42 O ATOM 266 CB LEU A 19 4.976 -21.365 -13.244 1.00 1.33 C ATOM 267 CG LEU A 19 4.092 -20.340 -12.531 1.00 64.13 C ATOM 268 CD1 LEU A 19 4.789 -19.806 -11.290 1.00 2.23 C ATOM 269 CD2 LEU A 19 3.730 -19.201 -13.474 1.00 23.44 C ATOM 0 H LEU A 19 2.683 -22.254 -13.382 1.00 51.55 H new ATOM 0 HA LEU A 19 4.380 -21.183 -15.301 1.00 54.40 H new ATOM 0 HB2 LEU A 19 5.181 -22.182 -12.552 1.00 1.33 H new ATOM 0 HB3 LEU A 19 5.932 -20.894 -13.473 1.00 1.33 H new ATOM 0 HG LEU A 19 3.172 -20.835 -12.221 1.00 64.13 H new ATOM 0 HD11 LEU A 19 4.145 -19.078 -10.796 1.00 2.23 H new ATOM 0 HD12 LEU A 19 4.997 -20.629 -10.607 1.00 2.23 H new ATOM 0 HD13 LEU A 19 5.725 -19.327 -11.576 1.00 2.23 H new ATOM 0 HD21 LEU A 19 3.101 -18.481 -12.950 1.00 23.44 H new ATOM 0 HD22 LEU A 19 4.640 -18.707 -13.815 1.00 23.44 H new ATOM 0 HD23 LEU A 19 3.189 -19.598 -14.333 1.00 23.44 H new ATOM 281 N SER A 20 5.036 -24.301 -14.558 1.00 45.53 N ATOM 282 CA SER A 20 5.822 -25.465 -14.949 1.00 61.22 C ATOM 283 C SER A 20 5.392 -25.975 -16.322 1.00 4.53 C ATOM 284 O SER A 20 6.175 -26.600 -17.036 1.00 71.13 O ATOM 285 CB SER A 20 5.674 -26.579 -13.910 1.00 43.53 C ATOM 286 OG SER A 20 6.532 -27.668 -14.204 1.00 51.44 O ATOM 0 H SER A 20 4.277 -24.503 -13.907 1.00 45.53 H new ATOM 0 HA SER A 20 6.868 -25.164 -15.003 1.00 61.22 H new ATOM 0 HB2 SER A 20 5.903 -26.189 -12.919 1.00 43.53 H new ATOM 0 HB3 SER A 20 4.640 -26.923 -13.886 1.00 43.53 H new ATOM 0 HG SER A 20 6.420 -28.366 -13.525 1.00 51.44 H new ATOM 292 N MET A 21 4.143 -25.701 -16.683 1.00 31.44 N ATOM 293 CA MET A 21 3.608 -26.131 -17.970 1.00 5.42 C ATOM 294 C MET A 21 4.049 -25.186 -19.083 1.00 54.25 C ATOM 295 O MET A 21 4.226 -25.600 -20.228 1.00 72.12 O ATOM 296 CB MET A 21 2.081 -26.197 -17.915 1.00 70.14 C ATOM 297 CG MET A 21 1.544 -27.585 -17.604 1.00 12.53 C ATOM 298 SD MET A 21 -0.257 -27.661 -17.659 1.00 42.23 S ATOM 299 CE MET A 21 -0.687 -26.288 -16.593 1.00 1.52 C ATOM 0 H MET A 21 3.482 -25.183 -16.103 1.00 31.44 H new ATOM 0 HA MET A 21 3.999 -27.125 -18.185 1.00 5.42 H new ATOM 0 HB2 MET A 21 1.722 -25.499 -17.158 1.00 70.14 H new ATOM 0 HB3 MET A 21 1.676 -25.866 -18.871 1.00 70.14 H new ATOM 0 HG2 MET A 21 1.956 -28.298 -18.318 1.00 12.53 H new ATOM 0 HG3 MET A 21 1.887 -27.890 -16.615 1.00 12.53 H new ATOM 0 HE1 MET A 21 -1.768 -26.259 -16.455 1.00 1.52 H new ATOM 0 HE2 MET A 21 -0.201 -26.412 -15.625 1.00 1.52 H new ATOM 0 HE3 MET A 21 -0.355 -25.355 -17.049 1.00 1.52 H new ATOM 309 N GLY A 22 4.223 -23.913 -18.740 1.00 22.23 N ATOM 310 CA GLY A 22 4.641 -22.930 -19.722 1.00 74.01 C ATOM 311 C GLY A 22 3.848 -21.642 -19.626 1.00 0.42 C ATOM 312 O GLY A 22 3.355 -21.131 -20.632 1.00 11.12 O ATOM 0 H GLY A 22 4.082 -23.545 -17.799 1.00 22.23 H new ATOM 0 HA2 GLY A 22 5.700 -22.712 -19.585 1.00 74.01 H new ATOM 0 HA3 GLY A 22 4.528 -23.349 -20.722 1.00 74.01 H new ATOM 316 N PHE A 23 3.723 -21.115 -18.412 1.00 42.32 N ATOM 317 CA PHE A 23 2.982 -19.879 -18.188 1.00 22.03 C ATOM 318 C PHE A 23 3.700 -18.990 -17.176 1.00 62.42 C ATOM 319 O PHE A 23 4.739 -19.365 -16.632 1.00 42.44 O ATOM 320 CB PHE A 23 1.567 -20.190 -17.696 1.00 60.21 C ATOM 321 CG PHE A 23 0.724 -20.906 -18.712 1.00 35.43 C ATOM 322 CD1 PHE A 23 0.721 -22.290 -18.778 1.00 23.53 C ATOM 323 CD2 PHE A 23 -0.067 -20.196 -19.600 1.00 14.20 C ATOM 324 CE1 PHE A 23 -0.053 -22.952 -19.712 1.00 13.21 C ATOM 325 CE2 PHE A 23 -0.845 -20.852 -20.536 1.00 44.21 C ATOM 326 CZ PHE A 23 -0.838 -22.232 -20.591 1.00 52.33 C ATOM 0 H PHE A 23 4.125 -21.524 -17.569 1.00 42.32 H new ATOM 0 HA PHE A 23 2.921 -19.345 -19.136 1.00 22.03 H new ATOM 0 HB2 PHE A 23 1.630 -20.799 -16.794 1.00 60.21 H new ATOM 0 HB3 PHE A 23 1.074 -19.258 -17.418 1.00 60.21 H new ATOM 0 HD1 PHE A 23 1.331 -22.858 -18.091 1.00 23.53 H new ATOM 0 HD2 PHE A 23 -0.076 -19.117 -19.561 1.00 14.20 H new ATOM 0 HE1 PHE A 23 -0.044 -24.031 -19.754 1.00 13.21 H new ATOM 0 HE2 PHE A 23 -1.457 -20.286 -21.223 1.00 44.21 H new ATOM 0 HZ PHE A 23 -1.445 -22.747 -21.320 1.00 52.33 H new ATOM 336 N SER A 24 3.139 -17.811 -16.930 1.00 35.23 N ATOM 337 CA SER A 24 3.727 -16.866 -15.987 1.00 75.53 C ATOM 338 C SER A 24 2.641 -16.106 -15.232 1.00 11.12 C ATOM 339 O SER A 24 1.461 -16.447 -15.309 1.00 35.23 O ATOM 340 CB SER A 24 4.638 -15.881 -16.722 1.00 21.52 C ATOM 341 OG SER A 24 5.673 -15.415 -15.874 1.00 1.22 O ATOM 0 H SER A 24 2.278 -17.487 -17.370 1.00 35.23 H new ATOM 0 HA SER A 24 4.319 -17.430 -15.266 1.00 75.53 H new ATOM 0 HB2 SER A 24 5.071 -16.365 -17.598 1.00 21.52 H new ATOM 0 HB3 SER A 24 4.051 -15.036 -17.082 1.00 21.52 H new ATOM 0 HG SER A 24 6.243 -14.788 -16.367 1.00 1.22 H new ATOM 347 N ASP A 25 3.050 -15.074 -14.502 1.00 55.22 N ATOM 348 CA ASP A 25 2.113 -14.263 -13.733 1.00 11.03 C ATOM 349 C ASP A 25 2.344 -12.777 -13.987 1.00 44.22 C ATOM 350 O ASP A 25 2.146 -11.948 -13.100 1.00 4.32 O ATOM 351 CB ASP A 25 2.251 -14.565 -12.240 1.00 11.03 C ATOM 352 CG ASP A 25 3.533 -14.009 -11.653 1.00 3.14 C ATOM 353 OD1 ASP A 25 4.603 -14.611 -11.886 1.00 12.34 O ATOM 354 OD2 ASP A 25 3.468 -12.971 -10.961 1.00 33.50 O ATOM 0 H ASP A 25 4.024 -14.779 -14.427 1.00 55.22 H new ATOM 0 HA ASP A 25 1.103 -14.515 -14.056 1.00 11.03 H new ATOM 0 HB2 ASP A 25 1.398 -14.144 -11.707 1.00 11.03 H new ATOM 0 HB3 ASP A 25 2.222 -15.644 -12.086 1.00 11.03 H new ATOM 359 N GLU A 26 2.766 -12.449 -15.205 1.00 14.53 N ATOM 360 CA GLU A 26 3.026 -11.062 -15.574 1.00 73.23 C ATOM 361 C GLU A 26 1.827 -10.177 -15.245 1.00 31.21 C ATOM 362 O GLU A 26 0.751 -10.331 -15.821 1.00 71.02 O ATOM 363 CB GLU A 26 3.353 -10.962 -17.065 1.00 44.55 C ATOM 364 CG GLU A 26 4.574 -11.768 -17.476 1.00 72.13 C ATOM 365 CD GLU A 26 5.725 -10.893 -17.932 1.00 2.11 C ATOM 366 OE1 GLU A 26 5.543 -10.129 -18.903 1.00 34.22 O ATOM 367 OE2 GLU A 26 6.809 -10.972 -17.317 1.00 22.03 O ATOM 0 H GLU A 26 2.935 -13.124 -15.951 1.00 14.53 H new ATOM 0 HA GLU A 26 3.882 -10.713 -14.996 1.00 73.23 H new ATOM 0 HB2 GLU A 26 2.492 -11.303 -17.641 1.00 44.55 H new ATOM 0 HB3 GLU A 26 3.515 -9.916 -17.323 1.00 44.55 H new ATOM 0 HG2 GLU A 26 4.900 -12.381 -16.636 1.00 72.13 H new ATOM 0 HG3 GLU A 26 4.300 -12.450 -18.281 1.00 72.13 H new ATOM 374 N GLY A 27 2.022 -9.250 -14.312 1.00 52.43 N ATOM 375 CA GLY A 27 0.949 -8.354 -13.921 1.00 71.11 C ATOM 376 C GLY A 27 0.057 -8.951 -12.850 1.00 42.43 C ATOM 377 O GLY A 27 -0.194 -8.324 -11.822 1.00 20.12 O ATOM 0 H GLY A 27 2.903 -9.103 -13.820 1.00 52.43 H new ATOM 0 HA2 GLY A 27 1.375 -7.420 -13.556 1.00 71.11 H new ATOM 0 HA3 GLY A 27 0.347 -8.109 -14.796 1.00 71.11 H new ATOM 381 N GLY A 28 -0.425 -10.166 -13.093 1.00 24.03 N ATOM 382 CA GLY A 28 -1.290 -10.826 -12.133 1.00 22.13 C ATOM 383 C GLY A 28 -2.493 -11.475 -12.787 1.00 55.31 C ATOM 384 O GLY A 28 -3.623 -11.308 -12.327 1.00 51.35 O ATOM 0 H GLY A 28 -0.232 -10.705 -13.937 1.00 24.03 H new ATOM 0 HA2 GLY A 28 -0.720 -11.584 -11.596 1.00 22.13 H new ATOM 0 HA3 GLY A 28 -1.630 -10.099 -11.395 1.00 22.13 H new ATOM 388 N TRP A 29 -2.252 -12.215 -13.863 1.00 53.10 N ATOM 389 CA TRP A 29 -3.327 -12.889 -14.583 1.00 24.52 C ATOM 390 C TRP A 29 -3.493 -14.324 -14.093 1.00 53.30 C ATOM 391 O TRP A 29 -4.538 -14.943 -14.298 1.00 51.04 O ATOM 392 CB TRP A 29 -3.045 -12.880 -16.086 1.00 72.32 C ATOM 393 CG TRP A 29 -1.991 -13.863 -16.499 1.00 54.13 C ATOM 394 CD1 TRP A 29 -0.640 -13.664 -16.500 1.00 13.31 C ATOM 395 CD2 TRP A 29 -2.203 -15.197 -16.974 1.00 24.12 C ATOM 396 NE1 TRP A 29 0.001 -14.794 -16.946 1.00 42.13 N ATOM 397 CE2 TRP A 29 -0.935 -15.749 -17.243 1.00 23.15 C ATOM 398 CE3 TRP A 29 -3.339 -15.980 -17.196 1.00 3.23 C ATOM 399 CZ2 TRP A 29 -0.775 -17.046 -17.723 1.00 24.24 C ATOM 400 CZ3 TRP A 29 -3.178 -17.267 -17.672 1.00 51.15 C ATOM 401 CH2 TRP A 29 -1.904 -17.790 -17.931 1.00 31.10 C ATOM 0 H TRP A 29 -1.323 -12.364 -14.256 1.00 53.10 H new ATOM 0 HA TRP A 29 -4.254 -12.349 -14.391 1.00 24.52 H new ATOM 0 HB2 TRP A 29 -3.968 -13.101 -16.623 1.00 72.32 H new ATOM 0 HB3 TRP A 29 -2.734 -11.879 -16.384 1.00 72.32 H new ATOM 0 HD1 TRP A 29 -0.148 -12.752 -16.195 1.00 13.31 H new ATOM 0 HE1 TRP A 29 1.011 -14.904 -17.041 1.00 42.13 H new ATOM 0 HE3 TRP A 29 -4.325 -15.586 -16.999 1.00 3.23 H new ATOM 0 HZ2 TRP A 29 0.206 -17.451 -17.924 1.00 24.24 H new ATOM 0 HZ3 TRP A 29 -4.049 -17.881 -17.848 1.00 51.15 H new ATOM 0 HH2 TRP A 29 -1.812 -18.800 -18.302 1.00 31.10 H new ATOM 412 N LEU A 30 -2.459 -14.847 -13.445 1.00 5.23 N ATOM 413 CA LEU A 30 -2.491 -16.209 -12.925 1.00 21.52 C ATOM 414 C LEU A 30 -2.698 -16.211 -11.414 1.00 4.04 C ATOM 415 O LEU A 30 -2.698 -17.265 -10.777 1.00 4.15 O ATOM 416 CB LEU A 30 -1.194 -16.941 -13.274 1.00 45.43 C ATOM 417 CG LEU A 30 -1.246 -18.468 -13.212 1.00 41.54 C ATOM 418 CD1 LEU A 30 -2.228 -19.010 -14.239 1.00 64.04 C ATOM 419 CD2 LEU A 30 0.139 -19.058 -13.432 1.00 23.11 C ATOM 0 H LEU A 30 -1.587 -14.348 -13.267 1.00 5.23 H new ATOM 0 HA LEU A 30 -3.330 -16.728 -13.389 1.00 21.52 H new ATOM 0 HB2 LEU A 30 -0.895 -16.648 -14.281 1.00 45.43 H new ATOM 0 HB3 LEU A 30 -0.413 -16.596 -12.597 1.00 45.43 H new ATOM 0 HG LEU A 30 -1.590 -18.761 -12.220 1.00 41.54 H new ATOM 0 HD11 LEU A 30 -2.252 -20.098 -14.181 1.00 64.04 H new ATOM 0 HD12 LEU A 30 -3.223 -18.614 -14.036 1.00 64.04 H new ATOM 0 HD13 LEU A 30 -1.914 -18.707 -15.238 1.00 64.04 H new ATOM 0 HD21 LEU A 30 0.083 -20.146 -13.385 1.00 23.11 H new ATOM 0 HD22 LEU A 30 0.512 -18.756 -14.411 1.00 23.11 H new ATOM 0 HD23 LEU A 30 0.816 -18.695 -12.658 1.00 23.11 H new ATOM 431 N THR A 31 -2.876 -15.023 -10.845 1.00 1.35 N ATOM 432 CA THR A 31 -3.085 -14.887 -9.409 1.00 0.44 C ATOM 433 C THR A 31 -4.571 -14.886 -9.067 1.00 44.20 C ATOM 434 O THR A 31 -4.957 -15.180 -7.936 1.00 11.23 O ATOM 435 CB THR A 31 -2.445 -13.594 -8.868 1.00 23.33 C ATOM 436 OG1 THR A 31 -2.656 -13.497 -7.455 1.00 15.21 O ATOM 437 CG2 THR A 31 -3.028 -12.371 -9.559 1.00 32.04 C ATOM 0 H THR A 31 -2.880 -14.141 -11.357 1.00 1.35 H new ATOM 0 HA THR A 31 -2.607 -15.746 -8.938 1.00 0.44 H new ATOM 0 HB THR A 31 -1.375 -13.631 -9.073 1.00 23.33 H new ATOM 0 HG1 THR A 31 -2.245 -12.673 -7.119 1.00 15.21 H new ATOM 0 HG21 THR A 31 -2.561 -11.471 -9.160 1.00 32.04 H new ATOM 0 HG22 THR A 31 -2.839 -12.434 -10.631 1.00 32.04 H new ATOM 0 HG23 THR A 31 -4.103 -12.331 -9.382 1.00 32.04 H new ATOM 445 N ARG A 32 -5.399 -14.554 -10.052 1.00 33.43 N ATOM 446 CA ARG A 32 -6.843 -14.515 -9.854 1.00 73.14 C ATOM 447 C ARG A 32 -7.544 -15.521 -10.763 1.00 23.31 C ATOM 448 O ARG A 32 -8.630 -16.008 -10.447 1.00 30.32 O ATOM 449 CB ARG A 32 -7.378 -13.108 -10.126 1.00 14.11 C ATOM 450 CG ARG A 32 -6.706 -12.029 -9.292 1.00 73.32 C ATOM 451 CD ARG A 32 -7.554 -11.645 -8.090 1.00 33.22 C ATOM 452 NE ARG A 32 -7.549 -10.204 -7.854 1.00 41.12 N ATOM 453 CZ ARG A 32 -8.239 -9.615 -6.883 1.00 64.44 C ATOM 454 NH1 ARG A 32 -8.985 -10.341 -6.062 1.00 5.02 N ATOM 455 NH2 ARG A 32 -8.183 -8.298 -6.733 1.00 24.23 N ATOM 0 H ARG A 32 -5.095 -14.308 -10.994 1.00 33.43 H new ATOM 0 HA ARG A 32 -7.050 -14.782 -8.818 1.00 73.14 H new ATOM 0 HB2 ARG A 32 -7.244 -12.875 -11.182 1.00 14.11 H new ATOM 0 HB3 ARG A 32 -8.450 -13.092 -9.930 1.00 14.11 H new ATOM 0 HG2 ARG A 32 -5.732 -12.383 -8.953 1.00 73.32 H new ATOM 0 HG3 ARG A 32 -6.528 -11.148 -9.909 1.00 73.32 H new ATOM 0 HD2 ARG A 32 -8.578 -11.983 -8.246 1.00 33.22 H new ATOM 0 HD3 ARG A 32 -7.181 -12.159 -7.204 1.00 33.22 H new ATOM 0 HE ARG A 32 -6.985 -9.617 -8.468 1.00 41.12 H new ATOM 0 HH11 ARG A 32 -9.030 -11.354 -6.175 1.00 5.02 H new ATOM 0 HH12 ARG A 32 -9.514 -9.887 -5.317 1.00 5.02 H new ATOM 0 HH21 ARG A 32 -7.610 -7.737 -7.363 1.00 24.23 H new ATOM 0 HH22 ARG A 32 -8.713 -7.847 -5.987 1.00 24.23 H new ATOM 469 N LEU A 33 -6.915 -15.828 -11.892 1.00 53.14 N ATOM 470 CA LEU A 33 -7.478 -16.776 -12.848 1.00 10.01 C ATOM 471 C LEU A 33 -7.859 -18.082 -12.159 1.00 25.52 C ATOM 472 O LEU A 33 -8.990 -18.554 -12.280 1.00 21.21 O ATOM 473 CB LEU A 33 -6.478 -17.051 -13.972 1.00 60.41 C ATOM 474 CG LEU A 33 -6.703 -18.335 -14.771 1.00 74.52 C ATOM 475 CD1 LEU A 33 -8.108 -18.363 -15.353 1.00 13.42 C ATOM 476 CD2 LEU A 33 -5.664 -18.466 -15.876 1.00 15.35 C ATOM 0 H LEU A 33 -6.015 -15.435 -12.168 1.00 53.14 H new ATOM 0 HA LEU A 33 -8.380 -16.335 -13.273 1.00 10.01 H new ATOM 0 HB2 LEU A 33 -6.498 -16.208 -14.663 1.00 60.41 H new ATOM 0 HB3 LEU A 33 -5.478 -17.086 -13.541 1.00 60.41 H new ATOM 0 HG LEU A 33 -6.594 -19.183 -14.095 1.00 74.52 H new ATOM 0 HD11 LEU A 33 -8.249 -19.284 -15.918 1.00 13.42 H new ATOM 0 HD12 LEU A 33 -8.838 -18.318 -14.545 1.00 13.42 H new ATOM 0 HD13 LEU A 33 -8.245 -17.507 -16.014 1.00 13.42 H new ATOM 0 HD21 LEU A 33 -5.840 -19.386 -16.434 1.00 15.35 H new ATOM 0 HD22 LEU A 33 -5.740 -17.613 -16.550 1.00 15.35 H new ATOM 0 HD23 LEU A 33 -4.667 -18.494 -15.436 1.00 15.35 H new ATOM 488 N LEU A 34 -6.908 -18.662 -11.434 1.00 43.22 N ATOM 489 CA LEU A 34 -7.143 -19.913 -10.723 1.00 34.41 C ATOM 490 C LEU A 34 -8.297 -19.769 -9.735 1.00 24.50 C ATOM 491 O LEU A 34 -9.180 -20.624 -9.670 1.00 0.23 O ATOM 492 CB LEU A 34 -5.876 -20.350 -9.985 1.00 74.14 C ATOM 493 CG LEU A 34 -4.766 -20.943 -10.853 1.00 24.43 C ATOM 494 CD1 LEU A 34 -5.307 -22.073 -11.715 1.00 34.12 C ATOM 495 CD2 LEU A 34 -4.132 -19.865 -11.720 1.00 14.03 C ATOM 0 H LEU A 34 -5.967 -18.285 -11.324 1.00 43.22 H new ATOM 0 HA LEU A 34 -7.409 -20.674 -11.456 1.00 34.41 H new ATOM 0 HB2 LEU A 34 -5.473 -19.488 -9.454 1.00 74.14 H new ATOM 0 HB3 LEU A 34 -6.154 -21.087 -9.232 1.00 74.14 H new ATOM 0 HG LEU A 34 -3.998 -21.351 -10.196 1.00 24.43 H new ATOM 0 HD11 LEU A 34 -4.502 -22.482 -12.326 1.00 34.12 H new ATOM 0 HD12 LEU A 34 -5.712 -22.857 -11.075 1.00 34.12 H new ATOM 0 HD13 LEU A 34 -6.096 -21.691 -12.363 1.00 34.12 H new ATOM 0 HD21 LEU A 34 -3.344 -20.306 -12.331 1.00 14.03 H new ATOM 0 HD22 LEU A 34 -4.891 -19.426 -12.368 1.00 14.03 H new ATOM 0 HD23 LEU A 34 -3.706 -19.090 -11.083 1.00 14.03 H new ATOM 507 N GLN A 35 -8.282 -18.683 -8.970 1.00 44.42 N ATOM 508 CA GLN A 35 -9.327 -18.427 -7.987 1.00 14.42 C ATOM 509 C GLN A 35 -10.710 -18.530 -8.623 1.00 23.42 C ATOM 510 O GLN A 35 -11.626 -19.122 -8.051 1.00 23.52 O ATOM 511 CB GLN A 35 -9.143 -17.042 -7.363 1.00 65.12 C ATOM 512 CG GLN A 35 -7.826 -16.881 -6.620 1.00 14.51 C ATOM 513 CD GLN A 35 -7.806 -15.653 -5.730 1.00 65.31 C ATOM 514 OE1 GLN A 35 -7.272 -14.609 -6.105 1.00 64.14 O ATOM 515 NE2 GLN A 35 -8.388 -15.773 -4.543 1.00 14.51 N ATOM 0 H GLN A 35 -7.558 -17.966 -9.012 1.00 44.42 H new ATOM 0 HA GLN A 35 -9.248 -19.183 -7.206 1.00 14.42 H new ATOM 0 HB2 GLN A 35 -9.203 -16.288 -8.148 1.00 65.12 H new ATOM 0 HB3 GLN A 35 -9.966 -16.851 -6.674 1.00 65.12 H new ATOM 0 HG2 GLN A 35 -7.644 -17.768 -6.013 1.00 14.51 H new ATOM 0 HG3 GLN A 35 -7.011 -16.816 -7.341 1.00 14.51 H new ATOM 0 HE21 GLN A 35 -8.819 -16.657 -4.273 1.00 14.51 H new ATOM 0 HE22 GLN A 35 -8.405 -14.981 -3.901 1.00 14.51 H new ATOM 524 N THR A 36 -10.855 -17.950 -9.810 1.00 63.32 N ATOM 525 CA THR A 36 -12.125 -17.976 -10.523 1.00 74.04 C ATOM 526 C THR A 36 -12.455 -19.383 -11.009 1.00 41.11 C ATOM 527 O THR A 36 -13.620 -19.725 -11.211 1.00 15.54 O ATOM 528 CB THR A 36 -12.112 -17.019 -11.730 1.00 1.40 C ATOM 529 OG1 THR A 36 -10.763 -16.677 -12.069 1.00 53.21 O ATOM 530 CG2 THR A 36 -12.900 -15.753 -11.426 1.00 21.52 C ATOM 0 H THR A 36 -10.108 -17.456 -10.298 1.00 63.32 H new ATOM 0 HA THR A 36 -12.889 -17.649 -9.818 1.00 74.04 H new ATOM 0 HB THR A 36 -12.581 -17.526 -12.573 1.00 1.40 H new ATOM 0 HG1 THR A 36 -10.288 -17.479 -12.372 1.00 53.21 H new ATOM 0 HG21 THR A 36 -12.876 -15.093 -12.293 1.00 21.52 H new ATOM 0 HG22 THR A 36 -13.933 -16.014 -11.196 1.00 21.52 H new ATOM 0 HG23 THR A 36 -12.456 -15.244 -10.571 1.00 21.52 H new ATOM 538 N LYS A 37 -11.421 -20.197 -11.195 1.00 52.22 N ATOM 539 CA LYS A 37 -11.600 -21.569 -11.656 1.00 11.44 C ATOM 540 C LYS A 37 -11.540 -22.547 -10.487 1.00 13.11 C ATOM 541 O LYS A 37 -11.519 -23.761 -10.682 1.00 74.35 O ATOM 542 CB LYS A 37 -10.529 -21.925 -12.689 1.00 22.54 C ATOM 543 CG LYS A 37 -10.910 -21.557 -14.112 1.00 62.20 C ATOM 544 CD LYS A 37 -11.266 -20.085 -14.231 1.00 14.13 C ATOM 545 CE LYS A 37 -11.168 -19.602 -15.670 1.00 4.35 C ATOM 546 NZ LYS A 37 -11.405 -18.136 -15.780 1.00 3.32 N ATOM 0 H LYS A 37 -10.450 -19.930 -11.033 1.00 52.22 H new ATOM 0 HA LYS A 37 -12.583 -21.645 -12.121 1.00 11.44 H new ATOM 0 HB2 LYS A 37 -9.601 -21.417 -12.427 1.00 22.54 H new ATOM 0 HB3 LYS A 37 -10.331 -22.996 -12.640 1.00 22.54 H new ATOM 0 HG2 LYS A 37 -10.082 -21.787 -14.782 1.00 62.20 H new ATOM 0 HG3 LYS A 37 -11.757 -22.164 -14.431 1.00 62.20 H new ATOM 0 HD2 LYS A 37 -12.278 -19.923 -13.860 1.00 14.13 H new ATOM 0 HD3 LYS A 37 -10.598 -19.496 -13.602 1.00 14.13 H new ATOM 0 HE2 LYS A 37 -10.181 -19.841 -16.067 1.00 4.35 H new ATOM 0 HE3 LYS A 37 -11.896 -20.135 -16.282 1.00 4.35 H new ATOM 0 HZ1 LYS A 37 -11.532 -17.879 -16.780 1.00 3.32 H new ATOM 0 HZ2 LYS A 37 -12.260 -17.882 -15.246 1.00 3.32 H new ATOM 0 HZ3 LYS A 37 -10.589 -17.622 -15.391 1.00 3.32 H new ATOM 560 N ASN A 38 -11.514 -22.009 -9.272 1.00 34.33 N ATOM 561 CA ASN A 38 -11.458 -22.836 -8.071 1.00 51.43 C ATOM 562 C ASN A 38 -10.158 -23.632 -8.020 1.00 30.41 C ATOM 563 O ASN A 38 -10.165 -24.837 -7.764 1.00 55.21 O ATOM 564 CB ASN A 38 -12.655 -23.788 -8.026 1.00 0.32 C ATOM 565 CG ASN A 38 -13.114 -24.072 -6.609 1.00 23.44 C ATOM 566 OD1 ASN A 38 -13.233 -23.162 -5.788 1.00 62.32 O ATOM 567 ND2 ASN A 38 -13.373 -25.341 -6.315 1.00 33.14 N ATOM 0 H ASN A 38 -11.531 -21.005 -9.093 1.00 34.33 H new ATOM 0 HA ASN A 38 -11.494 -22.177 -7.203 1.00 51.43 H new ATOM 0 HB2 ASN A 38 -13.480 -23.357 -8.593 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -12.389 -24.726 -8.514 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -13.684 -25.594 -5.377 1.00 33.14 H new ATOM 0 HD22 ASN A 38 -13.261 -26.063 -7.027 1.00 33.14 H new ATOM 574 N TYR A 39 -9.044 -22.952 -8.264 1.00 43.10 N ATOM 575 CA TYR A 39 -7.736 -23.596 -8.247 1.00 43.15 C ATOM 576 C TYR A 39 -7.727 -24.834 -9.138 1.00 61.43 C ATOM 577 O TYR A 39 -7.419 -25.937 -8.685 1.00 42.20 O ATOM 578 CB TYR A 39 -7.351 -23.980 -6.818 1.00 0.23 C ATOM 579 CG TYR A 39 -7.677 -22.914 -5.796 1.00 51.10 C ATOM 580 CD1 TYR A 39 -7.232 -21.608 -5.959 1.00 23.13 C ATOM 581 CD2 TYR A 39 -8.432 -23.213 -4.668 1.00 42.12 C ATOM 582 CE1 TYR A 39 -7.527 -20.631 -5.027 1.00 63.53 C ATOM 583 CE2 TYR A 39 -8.733 -22.242 -3.732 1.00 61.33 C ATOM 584 CZ TYR A 39 -8.278 -20.953 -3.916 1.00 63.31 C ATOM 585 OH TYR A 39 -8.575 -19.983 -2.987 1.00 21.03 O ATOM 0 H TYR A 39 -9.020 -21.955 -8.476 1.00 43.10 H new ATOM 0 HA TYR A 39 -7.005 -22.886 -8.634 1.00 43.15 H new ATOM 0 HB2 TYR A 39 -7.867 -24.901 -6.547 1.00 0.23 H new ATOM 0 HB3 TYR A 39 -6.282 -24.191 -6.783 1.00 0.23 H new ATOM 0 HD1 TYR A 39 -6.645 -21.352 -6.829 1.00 23.13 H new ATOM 0 HD2 TYR A 39 -8.789 -24.221 -4.521 1.00 42.12 H new ATOM 0 HE1 TYR A 39 -7.171 -19.621 -5.168 1.00 63.53 H new ATOM 0 HE2 TYR A 39 -9.321 -22.491 -2.861 1.00 61.33 H new ATOM 0 HH TYR A 39 -9.112 -20.374 -2.266 1.00 21.03 H new ATOM 595 N ASP A 40 -8.067 -24.644 -10.408 1.00 43.23 N ATOM 596 CA ASP A 40 -8.097 -25.744 -11.365 1.00 41.12 C ATOM 597 C ASP A 40 -6.959 -25.619 -12.373 1.00 43.31 C ATOM 598 O ASP A 40 -6.514 -24.514 -12.688 1.00 22.45 O ATOM 599 CB ASP A 40 -9.440 -25.776 -12.096 1.00 13.04 C ATOM 600 CG ASP A 40 -10.356 -26.866 -11.576 1.00 32.55 C ATOM 601 OD1 ASP A 40 -10.156 -27.312 -10.426 1.00 11.53 O ATOM 602 OD2 ASP A 40 -11.273 -27.274 -12.318 1.00 35.31 O ATOM 0 H ASP A 40 -8.326 -23.738 -10.799 1.00 43.23 H new ATOM 0 HA ASP A 40 -7.970 -26.676 -10.814 1.00 41.12 H new ATOM 0 HB2 ASP A 40 -9.932 -24.810 -11.988 1.00 13.04 H new ATOM 0 HB3 ASP A 40 -9.267 -25.928 -13.161 1.00 13.04 H new ATOM 607 N ILE A 41 -6.492 -26.757 -12.875 1.00 22.02 N ATOM 608 CA ILE A 41 -5.406 -26.774 -13.847 1.00 23.22 C ATOM 609 C ILE A 41 -5.934 -27.008 -15.258 1.00 33.32 C ATOM 610 O ILE A 41 -5.347 -26.548 -16.236 1.00 72.43 O ATOM 611 CB ILE A 41 -4.368 -27.862 -13.512 1.00 71.14 C ATOM 612 CG1 ILE A 41 -4.151 -27.943 -12.000 1.00 33.11 C ATOM 613 CG2 ILE A 41 -3.055 -27.579 -14.227 1.00 30.22 C ATOM 614 CD1 ILE A 41 -3.712 -26.634 -11.381 1.00 73.35 C ATOM 0 H ILE A 41 -6.849 -27.679 -12.625 1.00 22.02 H new ATOM 0 HA ILE A 41 -4.925 -25.797 -13.800 1.00 23.22 H new ATOM 0 HB ILE A 41 -4.747 -28.824 -13.857 1.00 71.14 H new ATOM 0 HG12 ILE A 41 -5.077 -28.268 -11.525 1.00 33.11 H new ATOM 0 HG13 ILE A 41 -3.401 -28.705 -11.789 1.00 33.11 H new ATOM 0 HG21 ILE A 41 -2.332 -28.356 -13.980 1.00 30.22 H new ATOM 0 HG22 ILE A 41 -3.222 -27.567 -15.304 1.00 30.22 H new ATOM 0 HG23 ILE A 41 -2.669 -26.610 -13.909 1.00 30.22 H new ATOM 0 HD11 ILE A 41 -3.577 -26.766 -10.307 1.00 73.35 H new ATOM 0 HD12 ILE A 41 -2.770 -26.318 -11.829 1.00 73.35 H new ATOM 0 HD13 ILE A 41 -4.472 -25.874 -11.560 1.00 73.35 H new ATOM 626 N GLY A 42 -7.049 -27.726 -15.355 1.00 35.02 N ATOM 627 CA GLY A 42 -7.640 -28.007 -16.650 1.00 72.42 C ATOM 628 C GLY A 42 -8.531 -26.882 -17.138 1.00 32.22 C ATOM 629 O GLY A 42 -8.847 -26.801 -18.325 1.00 24.15 O ATOM 0 H GLY A 42 -7.553 -28.118 -14.560 1.00 35.02 H new ATOM 0 HA2 GLY A 42 -6.847 -28.180 -17.378 1.00 72.42 H new ATOM 0 HA3 GLY A 42 -8.222 -28.926 -16.588 1.00 72.42 H new ATOM 633 N ALA A 43 -8.939 -26.012 -16.220 1.00 34.44 N ATOM 634 CA ALA A 43 -9.799 -24.886 -16.563 1.00 31.54 C ATOM 635 C ALA A 43 -8.977 -23.632 -16.836 1.00 52.44 C ATOM 636 O ALA A 43 -9.371 -22.782 -17.635 1.00 60.31 O ATOM 637 CB ALA A 43 -10.803 -24.630 -15.448 1.00 45.20 C ATOM 0 H ALA A 43 -8.688 -26.065 -15.233 1.00 34.44 H new ATOM 0 HA ALA A 43 -10.342 -25.138 -17.474 1.00 31.54 H new ATOM 0 HB1 ALA A 43 -11.439 -23.787 -15.717 1.00 45.20 H new ATOM 0 HB2 ALA A 43 -11.419 -25.517 -15.303 1.00 45.20 H new ATOM 0 HB3 ALA A 43 -10.271 -24.403 -14.524 1.00 45.20 H new ATOM 643 N ALA A 44 -7.834 -23.521 -16.168 1.00 22.21 N ATOM 644 CA ALA A 44 -6.956 -22.370 -16.341 1.00 30.45 C ATOM 645 C ALA A 44 -6.093 -22.521 -17.589 1.00 1.34 C ATOM 646 O ALA A 44 -5.522 -21.547 -18.082 1.00 71.12 O ATOM 647 CB ALA A 44 -6.080 -22.185 -15.110 1.00 75.20 C ATOM 0 H ALA A 44 -7.494 -24.214 -15.502 1.00 22.21 H new ATOM 0 HA ALA A 44 -7.579 -21.484 -16.467 1.00 30.45 H new ATOM 0 HB1 ALA A 44 -5.429 -21.322 -15.253 1.00 75.20 H new ATOM 0 HB2 ALA A 44 -6.711 -22.023 -14.236 1.00 75.20 H new ATOM 0 HB3 ALA A 44 -5.472 -23.077 -14.959 1.00 75.20 H new ATOM 653 N LEU A 45 -6.001 -23.746 -18.094 1.00 43.43 N ATOM 654 CA LEU A 45 -5.206 -24.024 -19.286 1.00 2.34 C ATOM 655 C LEU A 45 -5.934 -23.566 -20.545 1.00 40.22 C ATOM 656 O LEU A 45 -5.320 -23.379 -21.596 1.00 11.01 O ATOM 657 CB LEU A 45 -4.895 -25.519 -19.378 1.00 4.55 C ATOM 658 CG LEU A 45 -3.666 -25.997 -18.604 1.00 24.12 C ATOM 659 CD1 LEU A 45 -3.642 -27.516 -18.525 1.00 51.34 C ATOM 660 CD2 LEU A 45 -2.391 -25.475 -19.251 1.00 52.11 C ATOM 0 H LEU A 45 -6.466 -24.562 -17.697 1.00 43.43 H new ATOM 0 HA LEU A 45 -4.271 -23.469 -19.207 1.00 2.34 H new ATOM 0 HB2 LEU A 45 -5.763 -26.073 -19.021 1.00 4.55 H new ATOM 0 HB3 LEU A 45 -4.762 -25.778 -20.428 1.00 4.55 H new ATOM 0 HG LEU A 45 -3.723 -25.601 -17.590 1.00 24.12 H new ATOM 0 HD11 LEU A 45 -2.760 -27.838 -17.971 1.00 51.34 H new ATOM 0 HD12 LEU A 45 -4.539 -27.868 -18.016 1.00 51.34 H new ATOM 0 HD13 LEU A 45 -3.609 -27.932 -19.532 1.00 51.34 H new ATOM 0 HD21 LEU A 45 -1.527 -25.825 -18.687 1.00 52.11 H new ATOM 0 HD22 LEU A 45 -2.327 -25.840 -20.276 1.00 52.11 H new ATOM 0 HD23 LEU A 45 -2.405 -24.385 -19.254 1.00 52.11 H new ATOM 672 N ASP A 46 -7.245 -23.385 -20.432 1.00 11.05 N ATOM 673 CA ASP A 46 -8.057 -22.945 -21.560 1.00 70.43 C ATOM 674 C ASP A 46 -8.554 -21.519 -21.349 1.00 55.20 C ATOM 675 O ASP A 46 -9.572 -21.114 -21.912 1.00 71.24 O ATOM 676 CB ASP A 46 -9.244 -23.889 -21.760 1.00 15.52 C ATOM 677 CG ASP A 46 -9.346 -24.398 -23.184 1.00 20.41 C ATOM 678 OD1 ASP A 46 -8.588 -25.326 -23.538 1.00 2.20 O ATOM 679 OD2 ASP A 46 -10.184 -23.871 -23.944 1.00 51.32 O ATOM 0 H ASP A 46 -7.768 -23.536 -19.570 1.00 11.05 H new ATOM 0 HA ASP A 46 -7.434 -22.964 -22.454 1.00 70.43 H new ATOM 0 HB2 ASP A 46 -9.149 -24.736 -21.081 1.00 15.52 H new ATOM 0 HB3 ASP A 46 -10.165 -23.370 -21.496 1.00 15.52 H new ATOM 684 N THR A 47 -7.830 -20.760 -20.532 1.00 55.21 N ATOM 685 CA THR A 47 -8.199 -19.379 -20.244 1.00 61.52 C ATOM 686 C THR A 47 -7.171 -18.406 -20.811 1.00 33.52 C ATOM 687 O THR A 47 -7.144 -17.233 -20.440 1.00 2.32 O ATOM 688 CB THR A 47 -8.336 -19.139 -18.729 1.00 1.10 C ATOM 689 OG1 THR A 47 -8.976 -20.261 -18.111 1.00 11.32 O ATOM 690 CG2 THR A 47 -9.137 -17.876 -18.452 1.00 4.52 C ATOM 0 H THR A 47 -6.985 -21.078 -20.058 1.00 55.21 H new ATOM 0 HA THR A 47 -9.163 -19.203 -20.721 1.00 61.52 H new ATOM 0 HB THR A 47 -7.337 -19.016 -18.311 1.00 1.10 H new ATOM 0 HG1 THR A 47 -8.417 -21.058 -18.222 1.00 11.32 H new ATOM 0 HG21 THR A 47 -9.221 -17.727 -17.375 1.00 4.52 H new ATOM 0 HG22 THR A 47 -8.632 -17.020 -18.899 1.00 4.52 H new ATOM 0 HG23 THR A 47 -10.133 -17.975 -18.883 1.00 4.52 H new ATOM 698 N ILE A 48 -6.329 -18.901 -21.711 1.00 63.13 N ATOM 699 CA ILE A 48 -5.300 -18.074 -22.330 1.00 55.21 C ATOM 700 C ILE A 48 -5.483 -18.010 -23.843 1.00 25.52 C ATOM 701 O ILE A 48 -5.152 -17.008 -24.476 1.00 22.25 O ATOM 702 CB ILE A 48 -3.888 -18.602 -22.016 1.00 33.11 C ATOM 703 CG1 ILE A 48 -3.885 -19.351 -20.681 1.00 53.45 C ATOM 704 CG2 ILE A 48 -2.888 -17.456 -21.989 1.00 30.10 C ATOM 705 CD1 ILE A 48 -4.192 -20.826 -20.815 1.00 53.34 C ATOM 0 H ILE A 48 -6.339 -19.870 -22.028 1.00 63.13 H new ATOM 0 HA ILE A 48 -5.405 -17.073 -21.911 1.00 55.21 H new ATOM 0 HB ILE A 48 -3.593 -19.297 -22.802 1.00 33.11 H new ATOM 0 HG12 ILE A 48 -2.909 -19.233 -20.209 1.00 53.45 H new ATOM 0 HG13 ILE A 48 -4.618 -18.895 -20.016 1.00 53.45 H new ATOM 0 HG21 ILE A 48 -1.895 -17.845 -21.766 1.00 30.10 H new ATOM 0 HG22 ILE A 48 -2.874 -16.962 -22.961 1.00 30.10 H new ATOM 0 HG23 ILE A 48 -3.178 -16.738 -21.221 1.00 30.10 H new ATOM 0 HD11 ILE A 48 -4.173 -21.293 -19.830 1.00 53.34 H new ATOM 0 HD12 ILE A 48 -5.180 -20.953 -21.258 1.00 53.34 H new ATOM 0 HD13 ILE A 48 -3.445 -21.297 -21.454 1.00 53.34 H new ATOM 717 N GLN A 49 -6.012 -19.087 -24.415 1.00 51.21 N ATOM 718 CA GLN A 49 -6.239 -19.153 -25.854 1.00 13.41 C ATOM 719 C GLN A 49 -7.009 -17.929 -26.340 1.00 31.00 C ATOM 720 O GLN A 49 -6.596 -17.259 -27.287 1.00 1.03 O ATOM 721 CB GLN A 49 -7.005 -20.427 -26.213 1.00 21.31 C ATOM 722 CG GLN A 49 -6.308 -21.702 -25.766 1.00 23.01 C ATOM 723 CD GLN A 49 -5.739 -22.494 -26.927 1.00 5.33 C ATOM 724 OE1 GLN A 49 -4.947 -21.978 -27.717 1.00 13.55 O ATOM 725 NE2 GLN A 49 -6.139 -23.755 -27.036 1.00 61.03 N ATOM 0 H GLN A 49 -6.291 -19.925 -23.905 1.00 51.21 H new ATOM 0 HA GLN A 49 -5.268 -19.170 -26.349 1.00 13.41 H new ATOM 0 HB2 GLN A 49 -7.995 -20.386 -25.759 1.00 21.31 H new ATOM 0 HB3 GLN A 49 -7.150 -20.462 -27.293 1.00 21.31 H new ATOM 0 HG2 GLN A 49 -5.504 -21.449 -25.075 1.00 23.01 H new ATOM 0 HG3 GLN A 49 -7.015 -22.325 -25.218 1.00 23.01 H new ATOM 0 HE21 GLN A 49 -6.797 -24.142 -26.359 1.00 61.03 H new ATOM 0 HE22 GLN A 49 -5.789 -24.337 -27.797 1.00 61.03 H new ATOM 734 N TYR A 50 -8.130 -17.644 -25.687 1.00 1.43 N ATOM 735 CA TYR A 50 -8.959 -16.502 -26.054 1.00 72.02 C ATOM 736 C TYR A 50 -10.149 -16.366 -25.109 1.00 71.40 C ATOM 737 O TYR A 50 -10.478 -15.268 -24.661 1.00 33.20 O ATOM 738 CB TYR A 50 -9.452 -16.646 -27.495 1.00 41.21 C ATOM 739 CG TYR A 50 -10.157 -17.955 -27.766 1.00 34.40 C ATOM 740 CD1 TYR A 50 -9.439 -19.104 -28.074 1.00 3.23 C ATOM 741 CD2 TYR A 50 -11.543 -18.044 -27.713 1.00 71.32 C ATOM 742 CE1 TYR A 50 -10.079 -20.302 -28.323 1.00 32.13 C ATOM 743 CE2 TYR A 50 -12.192 -19.239 -27.959 1.00 51.23 C ATOM 744 CZ TYR A 50 -11.456 -20.365 -28.264 1.00 41.40 C ATOM 745 OH TYR A 50 -12.098 -21.557 -28.510 1.00 3.20 O ATOM 0 H TYR A 50 -8.486 -18.188 -24.901 1.00 1.43 H new ATOM 0 HA TYR A 50 -8.350 -15.602 -25.973 1.00 72.02 H new ATOM 0 HB2 TYR A 50 -10.131 -15.824 -27.722 1.00 41.21 H new ATOM 0 HB3 TYR A 50 -8.602 -16.554 -28.172 1.00 41.21 H new ATOM 0 HD1 TYR A 50 -8.361 -19.059 -28.119 1.00 3.23 H new ATOM 0 HD2 TYR A 50 -12.123 -17.164 -27.476 1.00 71.32 H new ATOM 0 HE1 TYR A 50 -9.505 -21.185 -28.563 1.00 32.13 H new ATOM 0 HE2 TYR A 50 -13.270 -19.291 -27.913 1.00 51.23 H new ATOM 0 HH TYR A 50 -13.066 -21.430 -28.427 1.00 3.20 H new ATOM 755 N SER A 51 -10.790 -17.492 -24.810 1.00 11.31 N ATOM 756 CA SER A 51 -11.946 -17.500 -23.921 1.00 2.03 C ATOM 757 C SER A 51 -11.561 -17.020 -22.525 1.00 5.52 C ATOM 758 O SER A 51 -10.423 -16.612 -22.287 1.00 72.30 O ATOM 759 CB SER A 51 -12.545 -18.905 -23.841 1.00 62.53 C ATOM 760 OG SER A 51 -12.444 -19.574 -25.087 1.00 11.22 O ATOM 0 H SER A 51 -10.528 -18.410 -25.170 1.00 11.31 H new ATOM 0 HA SER A 51 -12.691 -16.817 -24.329 1.00 2.03 H new ATOM 0 HB2 SER A 51 -12.029 -19.481 -23.073 1.00 62.53 H new ATOM 0 HB3 SER A 51 -13.591 -18.841 -23.543 1.00 62.53 H new ATOM 0 HG SER A 51 -12.392 -18.914 -25.809 1.00 11.22 H new ATOM 766 N LYS A 52 -12.517 -17.070 -21.604 1.00 1.12 N ATOM 767 CA LYS A 52 -12.280 -16.642 -20.230 1.00 54.22 C ATOM 768 C LYS A 52 -12.820 -17.669 -19.240 1.00 2.33 C ATOM 769 O LYS A 52 -12.057 -18.305 -18.512 1.00 65.14 O ATOM 770 CB LYS A 52 -12.935 -15.282 -19.978 1.00 50.43 C ATOM 771 CG LYS A 52 -12.254 -14.135 -20.705 1.00 4.24 C ATOM 772 CD LYS A 52 -11.722 -13.096 -19.731 1.00 42.04 C ATOM 773 CE LYS A 52 -12.825 -12.166 -19.252 1.00 12.54 C ATOM 774 NZ LYS A 52 -13.131 -12.366 -17.808 1.00 72.10 N ATOM 0 H LYS A 52 -13.464 -17.403 -21.784 1.00 1.12 H new ATOM 0 HA LYS A 52 -11.204 -16.553 -20.084 1.00 54.22 H new ATOM 0 HB2 LYS A 52 -13.979 -15.328 -20.287 1.00 50.43 H new ATOM 0 HB3 LYS A 52 -12.928 -15.078 -18.907 1.00 50.43 H new ATOM 0 HG2 LYS A 52 -11.434 -14.522 -21.310 1.00 4.24 H new ATOM 0 HG3 LYS A 52 -12.961 -13.666 -21.389 1.00 4.24 H new ATOM 0 HD2 LYS A 52 -11.269 -13.596 -18.875 1.00 42.04 H new ATOM 0 HD3 LYS A 52 -10.936 -12.513 -20.212 1.00 42.04 H new ATOM 0 HE2 LYS A 52 -12.526 -11.131 -19.420 1.00 12.54 H new ATOM 0 HE3 LYS A 52 -13.726 -12.337 -19.841 1.00 12.54 H new ATOM 0 HZ1 LYS A 52 -13.888 -11.714 -17.520 1.00 72.10 H new ATOM 0 HZ2 LYS A 52 -13.441 -13.346 -17.651 1.00 72.10 H new ATOM 0 HZ3 LYS A 52 -12.278 -12.178 -17.243 1.00 72.10 H new ATOM 788 N HIS A 53 -14.140 -17.826 -19.217 1.00 65.34 N ATOM 789 CA HIS A 53 -14.781 -18.778 -18.317 1.00 63.21 C ATOM 790 C HIS A 53 -14.328 -20.203 -18.621 1.00 22.10 C ATOM 791 O HIS A 53 -15.148 -21.079 -18.900 1.00 45.30 O ATOM 792 CB HIS A 53 -16.302 -18.678 -18.434 1.00 62.13 C ATOM 793 CG HIS A 53 -17.033 -19.305 -17.288 1.00 14.15 C ATOM 794 ND1 HIS A 53 -17.470 -20.613 -17.298 1.00 2.11 N ATOM 795 CD2 HIS A 53 -17.403 -18.796 -16.089 1.00 54.11 C ATOM 796 CE1 HIS A 53 -18.078 -20.881 -16.156 1.00 51.22 C ATOM 797 NE2 HIS A 53 -18.051 -19.795 -15.405 1.00 10.12 N ATOM 0 H HIS A 53 -14.786 -17.306 -19.811 1.00 65.34 H new ATOM 0 HA HIS A 53 -14.486 -18.532 -17.297 1.00 63.21 H new ATOM 0 HB2 HIS A 53 -16.585 -17.628 -18.503 1.00 62.13 H new ATOM 0 HB3 HIS A 53 -16.619 -19.155 -19.361 1.00 62.13 H new ATOM 0 HD1 HIS A 53 -17.344 -21.271 -18.067 1.00 2.11 H new ATOM 0 HD2 HIS A 53 -17.222 -17.791 -15.736 1.00 54.11 H new ATOM 0 HE1 HIS A 53 -18.522 -21.827 -15.883 1.00 51.22 H new TER 805 HIS A 53