USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 69 MET CE :methyl 162:sc= -3.84! (180deg=-4.72!) USER MOD Set 1.2: A 72 GLN : amide:sc= -4.33! C(o=-8.2!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 58:sc= 0.276 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -14.4! C(o=-14!,f=-23!) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0157 F(o=-0.76,f=-0.016) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= 1.03 (180deg=0.0481) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 30 SER OG : rot 180:sc= 0.209 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -3.5 K(o=-3.5,f=-6.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0724 K(o=-0.072,f=-1.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -4.38! C(o=-4.4!,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -105:sc= 0.126 (180deg=-0.0217) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.4) USER MOD Single : A 75 TYR OH : rot 0:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.594 USER MOD Single : A 82 GLN : amide:sc= -0.0978 K(o=-0.098,f=-1.8) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.332 -15.220 -6.562 1.00 0.00 N ATOM 2 CA GLY A 1 -12.374 -15.823 -7.474 1.00 0.00 C ATOM 3 C GLY A 1 -13.045 -16.220 -8.790 1.00 0.00 C ATOM 4 O GLY A 1 -13.333 -17.395 -9.015 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.852 -14.960 -5.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.739 -14.368 -6.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.092 -15.900 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.564 -15.121 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.928 -16.702 -7.009 1.00 0.00 H new ATOM 8 N SER A 2 -13.275 -15.218 -9.626 1.00 0.00 N ATOM 9 CA SER A 2 -13.907 -15.448 -10.914 1.00 0.00 C ATOM 10 C SER A 2 -12.925 -15.129 -12.043 1.00 0.00 C ATOM 11 O SER A 2 -12.618 -15.990 -12.866 1.00 0.00 O ATOM 12 CB SER A 2 -15.178 -14.609 -11.063 1.00 0.00 C ATOM 13 OG SER A 2 -16.341 -15.421 -11.196 1.00 0.00 O ATOM 0 H SER A 2 -13.035 -14.245 -9.436 1.00 0.00 H new ATOM 0 HA SER A 2 -14.190 -16.499 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.287 -13.959 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.085 -13.963 -11.936 1.00 0.00 H new ATOM 0 HG SER A 2 -17.131 -14.848 -11.287 1.00 0.00 H new ATOM 19 N SER A 3 -12.460 -13.888 -12.046 1.00 0.00 N ATOM 20 CA SER A 3 -11.519 -13.444 -13.060 1.00 0.00 C ATOM 21 C SER A 3 -10.136 -13.241 -12.438 1.00 0.00 C ATOM 22 O SER A 3 -9.752 -12.115 -12.125 1.00 0.00 O ATOM 23 CB SER A 3 -11.996 -12.152 -13.727 1.00 0.00 C ATOM 24 OG SER A 3 -13.123 -12.372 -14.571 1.00 0.00 O ATOM 0 H SER A 3 -12.718 -13.176 -11.362 1.00 0.00 H new ATOM 0 HA SER A 3 -11.455 -14.215 -13.828 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.254 -11.422 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.182 -11.724 -14.313 1.00 0.00 H new ATOM 0 HG SER A 3 -13.398 -11.524 -14.977 1.00 0.00 H new ATOM 30 N GLY A 4 -9.426 -14.348 -12.278 1.00 0.00 N ATOM 31 CA GLY A 4 -8.094 -14.305 -11.699 1.00 0.00 C ATOM 32 C GLY A 4 -7.075 -13.769 -12.706 1.00 0.00 C ATOM 33 O GLY A 4 -7.244 -13.934 -13.914 1.00 0.00 O ATOM 0 H GLY A 4 -9.748 -15.280 -12.539 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.100 -13.673 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.801 -15.304 -11.377 1.00 0.00 H new ATOM 37 N SER A 5 -6.039 -13.137 -12.173 1.00 0.00 N ATOM 38 CA SER A 5 -4.993 -12.575 -13.011 1.00 0.00 C ATOM 39 C SER A 5 -3.889 -11.976 -12.137 1.00 0.00 C ATOM 40 O SER A 5 -4.096 -11.730 -10.950 1.00 0.00 O ATOM 41 CB SER A 5 -5.556 -11.513 -13.957 1.00 0.00 C ATOM 42 OG SER A 5 -5.631 -11.981 -15.301 1.00 0.00 O ATOM 0 H SER A 5 -5.902 -13.002 -11.171 1.00 0.00 H new ATOM 0 HA SER A 5 -4.573 -13.377 -13.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.550 -11.217 -13.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.928 -10.623 -13.918 1.00 0.00 H new ATOM 0 HG SER A 5 -6.184 -12.790 -15.335 1.00 0.00 H new ATOM 48 N SER A 6 -2.739 -11.759 -12.759 1.00 0.00 N ATOM 49 CA SER A 6 -1.602 -11.194 -12.053 1.00 0.00 C ATOM 50 C SER A 6 -1.885 -9.735 -11.688 1.00 0.00 C ATOM 51 O SER A 6 -2.863 -9.154 -12.154 1.00 0.00 O ATOM 52 CB SER A 6 -0.327 -11.293 -12.894 1.00 0.00 C ATOM 53 OG SER A 6 0.793 -11.711 -12.118 1.00 0.00 O ATOM 0 H SER A 6 -2.571 -11.964 -13.744 1.00 0.00 H new ATOM 0 HA SER A 6 -1.448 -11.767 -11.139 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.485 -11.997 -13.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.114 -10.324 -13.345 1.00 0.00 H new ATOM 0 HG SER A 6 1.586 -11.764 -12.691 1.00 0.00 H new ATOM 59 N GLY A 7 -1.011 -9.186 -10.857 1.00 0.00 N ATOM 60 CA GLY A 7 -1.155 -7.807 -10.424 1.00 0.00 C ATOM 61 C GLY A 7 -0.424 -7.569 -9.101 1.00 0.00 C ATOM 62 O GLY A 7 -0.045 -8.518 -8.417 1.00 0.00 O ATOM 0 H GLY A 7 -0.201 -9.672 -10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.758 -7.139 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.212 -7.567 -10.308 1.00 0.00 H new ATOM 66 N PRO A 8 -0.245 -6.262 -8.771 1.00 0.00 N ATOM 67 CA PRO A 8 0.434 -5.887 -7.542 1.00 0.00 C ATOM 68 C PRO A 8 -0.471 -6.105 -6.327 1.00 0.00 C ATOM 69 O PRO A 8 0.013 -6.354 -5.224 1.00 0.00 O ATOM 70 CB PRO A 8 0.825 -4.431 -7.737 1.00 0.00 C ATOM 71 CG PRO A 8 -0.050 -3.912 -8.866 1.00 0.00 C ATOM 72 CD PRO A 8 -0.681 -5.111 -9.556 1.00 0.00 C ATOM 0 HA PRO A 8 1.314 -6.499 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.665 -3.858 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.882 -4.341 -7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.821 -3.247 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.543 -3.333 -9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.768 -5.032 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.352 -5.190 -10.592 1.00 0.00 H new ATOM 80 N ILE A 9 -1.770 -6.003 -6.571 1.00 0.00 N ATOM 81 CA ILE A 9 -2.747 -6.187 -5.512 1.00 0.00 C ATOM 82 C ILE A 9 -2.689 -7.632 -5.015 1.00 0.00 C ATOM 83 O ILE A 9 -2.260 -7.890 -3.891 1.00 0.00 O ATOM 84 CB ILE A 9 -4.136 -5.753 -5.983 1.00 0.00 C ATOM 85 CG1 ILE A 9 -4.079 -4.392 -6.679 1.00 0.00 C ATOM 86 CG2 ILE A 9 -5.136 -5.764 -4.825 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.371 -3.357 -5.803 1.00 0.00 C ATOM 0 H ILE A 9 -2.168 -5.795 -7.487 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.511 -5.548 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.488 -6.476 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.555 -4.488 -7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.090 -4.052 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.115 -5.451 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.206 -6.771 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.800 -5.077 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.344 -2.399 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.911 -3.246 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.353 -3.688 -5.600 1.00 0.00 H new ATOM 99 N SER A 10 -3.127 -8.539 -5.877 1.00 0.00 N ATOM 100 CA SER A 10 -3.130 -9.952 -5.539 1.00 0.00 C ATOM 101 C SER A 10 -1.765 -10.360 -4.983 1.00 0.00 C ATOM 102 O SER A 10 -1.677 -10.907 -3.884 1.00 0.00 O ATOM 103 CB SER A 10 -3.485 -10.808 -6.757 1.00 0.00 C ATOM 104 OG SER A 10 -4.737 -11.469 -6.599 1.00 0.00 O ATOM 0 H SER A 10 -3.482 -8.322 -6.808 1.00 0.00 H new ATOM 0 HA SER A 10 -3.890 -10.120 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.518 -10.178 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.702 -11.549 -6.920 1.00 0.00 H new ATOM 0 HG SER A 10 -4.928 -12.003 -7.398 1.00 0.00 H new ATOM 110 N ARG A 11 -0.734 -10.079 -5.765 1.00 0.00 N ATOM 111 CA ARG A 11 0.623 -10.410 -5.364 1.00 0.00 C ATOM 112 C ARG A 11 0.849 -10.035 -3.899 1.00 0.00 C ATOM 113 O ARG A 11 1.285 -10.864 -3.102 1.00 0.00 O ATOM 114 CB ARG A 11 1.648 -9.681 -6.235 1.00 0.00 C ATOM 115 CG ARG A 11 3.050 -10.260 -6.031 1.00 0.00 C ATOM 116 CD ARG A 11 4.000 -9.797 -7.138 1.00 0.00 C ATOM 117 NE ARG A 11 5.398 -9.837 -6.655 1.00 0.00 N ATOM 118 CZ ARG A 11 6.127 -10.957 -6.556 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.595 -12.136 -6.906 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.388 -10.898 -6.106 1.00 0.00 N ATOM 0 H ARG A 11 -0.811 -9.625 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 11 0.754 -11.484 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.365 -9.765 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.650 -8.619 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.438 -9.950 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.000 -11.349 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.891 -10.437 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.743 -8.784 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 11 5.834 -8.957 -6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.635 -12.181 -7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.150 -12.988 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.793 -10.001 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.943 -11.750 -6.031 1.00 0.00 H new ATOM 134 N LEU A 12 0.544 -8.784 -3.588 1.00 0.00 N ATOM 135 CA LEU A 12 0.709 -8.288 -2.232 1.00 0.00 C ATOM 136 C LEU A 12 -0.210 -9.071 -1.292 1.00 0.00 C ATOM 137 O LEU A 12 0.198 -9.454 -0.196 1.00 0.00 O ATOM 138 CB LEU A 12 0.491 -6.774 -2.184 1.00 0.00 C ATOM 139 CG LEU A 12 1.246 -6.022 -1.086 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.604 -4.660 -0.814 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.354 -6.869 0.183 1.00 0.00 C ATOM 0 H LEU A 12 0.183 -8.099 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 12 1.731 -8.451 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.779 -6.355 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.575 -6.584 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 12 2.261 -5.835 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.160 -4.146 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.623 -4.061 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.428 -4.802 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.895 -6.311 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.355 -7.108 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.889 -7.792 -0.040 1.00 0.00 H new ATOM 153 N ALA A 13 -1.433 -9.286 -1.754 1.00 0.00 N ATOM 154 CA ALA A 13 -2.412 -10.016 -0.968 1.00 0.00 C ATOM 155 C ALA A 13 -1.888 -11.426 -0.691 1.00 0.00 C ATOM 156 O ALA A 13 -2.058 -11.950 0.409 1.00 0.00 O ATOM 157 CB ALA A 13 -3.753 -10.027 -1.706 1.00 0.00 C ATOM 0 H ALA A 13 -1.768 -8.967 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.573 -9.529 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.488 -10.575 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.096 -9.003 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.631 -10.511 -2.675 1.00 0.00 H new ATOM 163 N GLN A 14 -1.262 -12.001 -1.707 1.00 0.00 N ATOM 164 CA GLN A 14 -0.712 -13.341 -1.587 1.00 0.00 C ATOM 165 C GLN A 14 0.406 -13.363 -0.543 1.00 0.00 C ATOM 166 O GLN A 14 0.643 -14.388 0.096 1.00 0.00 O ATOM 167 CB GLN A 14 -0.211 -13.851 -2.939 1.00 0.00 C ATOM 168 CG GLN A 14 -1.371 -14.350 -3.802 1.00 0.00 C ATOM 169 CD GLN A 14 -0.946 -15.546 -4.656 1.00 0.00 C ATOM 170 OE1 GLN A 14 -0.901 -16.679 -4.205 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.637 -15.232 -5.911 1.00 0.00 N ATOM 0 H GLN A 14 -1.123 -11.563 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.505 -14.011 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.317 -13.052 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.505 -14.658 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.208 -14.634 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.721 -13.544 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.696 -14.263 -6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.341 -15.960 -6.561 1.00 0.00 H new ATOM 180 N ILE A 15 1.063 -12.222 -0.401 1.00 0.00 N ATOM 181 CA ILE A 15 2.151 -12.097 0.554 1.00 0.00 C ATOM 182 C ILE A 15 1.572 -11.925 1.960 1.00 0.00 C ATOM 183 O ILE A 15 2.129 -12.434 2.931 1.00 0.00 O ATOM 184 CB ILE A 15 3.103 -10.974 0.139 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.690 -11.237 -1.249 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.193 -10.763 1.192 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.224 -9.946 -1.872 1.00 0.00 C ATOM 0 H ILE A 15 0.863 -11.374 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 15 2.754 -13.005 0.566 1.00 0.00 H new ATOM 0 HB ILE A 15 2.532 -10.048 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.494 -11.969 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.925 -11.668 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.857 -9.959 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.733 -10.497 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.767 -11.682 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.636 -10.161 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.412 -9.225 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.005 -9.531 -1.235 1.00 0.00 H new ATOM 199 N GLN A 16 0.461 -11.206 2.024 1.00 0.00 N ATOM 200 CA GLN A 16 -0.200 -10.960 3.294 1.00 0.00 C ATOM 201 C GLN A 16 -0.751 -12.267 3.867 1.00 0.00 C ATOM 202 O GLN A 16 -0.749 -12.466 5.081 1.00 0.00 O ATOM 203 CB GLN A 16 -1.309 -9.917 3.143 1.00 0.00 C ATOM 204 CG GLN A 16 -0.723 -8.528 2.878 1.00 0.00 C ATOM 205 CD GLN A 16 -0.610 -7.724 4.174 1.00 0.00 C ATOM 206 OE1 GLN A 16 -1.376 -6.813 4.439 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.387 -8.111 4.965 1.00 0.00 N ATOM 0 H GLN A 16 0.002 -10.786 1.216 1.00 0.00 H new ATOM 0 HA GLN A 16 0.535 -10.561 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.970 -10.199 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.916 -9.893 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.261 -8.626 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.353 -7.993 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.992 -8.882 4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.546 -7.637 5.854 1.00 0.00 H new ATOM 216 N GLN A 17 -1.210 -13.124 2.967 1.00 0.00 N ATOM 217 CA GLN A 17 -1.763 -14.406 3.368 1.00 0.00 C ATOM 218 C GLN A 17 -0.638 -15.399 3.669 1.00 0.00 C ATOM 219 O GLN A 17 -0.679 -16.102 4.678 1.00 0.00 O ATOM 220 CB GLN A 17 -2.706 -14.956 2.297 1.00 0.00 C ATOM 221 CG GLN A 17 -1.971 -15.912 1.356 1.00 0.00 C ATOM 222 CD GLN A 17 -2.921 -16.483 0.301 1.00 0.00 C ATOM 223 OE1 GLN A 17 -2.486 -16.348 -0.948 1.00 0.00 O flip ATOM 224 NE2 GLN A 17 -3.979 -17.011 0.602 1.00 0.00 N flip ATOM 0 H GLN A 17 -1.210 -12.955 1.961 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.345 -14.259 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.538 -15.476 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.131 -14.132 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.151 -15.387 0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.529 -16.726 1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.253 -17.082 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.589 -17.381 -0.126 1.00 0.00 H new ATOM 233 N ALA A 18 0.340 -15.424 2.776 1.00 0.00 N ATOM 234 CA ALA A 18 1.475 -16.319 2.934 1.00 0.00 C ATOM 235 C ALA A 18 2.254 -15.931 4.192 1.00 0.00 C ATOM 236 O ALA A 18 2.860 -16.784 4.838 1.00 0.00 O ATOM 237 CB ALA A 18 2.341 -16.271 1.674 1.00 0.00 C ATOM 0 H ALA A 18 0.371 -14.839 1.941 1.00 0.00 H new ATOM 0 HA ALA A 18 1.138 -17.348 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.192 -16.942 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.749 -16.583 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.700 -15.254 1.518 1.00 0.00 H new ATOM 243 N ARG A 19 2.211 -14.644 4.502 1.00 0.00 N ATOM 244 CA ARG A 19 2.906 -14.132 5.672 1.00 0.00 C ATOM 245 C ARG A 19 2.121 -14.465 6.942 1.00 0.00 C ATOM 246 O ARG A 19 2.670 -14.430 8.043 1.00 0.00 O ATOM 247 CB ARG A 19 3.097 -12.617 5.580 1.00 0.00 C ATOM 248 CG ARG A 19 4.331 -12.270 4.744 1.00 0.00 C ATOM 249 CD ARG A 19 4.545 -10.756 4.685 1.00 0.00 C ATOM 250 NE ARG A 19 5.978 -10.456 4.469 1.00 0.00 N ATOM 251 CZ ARG A 19 6.898 -10.450 5.443 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.542 -10.729 6.704 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.176 -10.166 5.155 1.00 0.00 N ATOM 0 H ARG A 19 1.706 -13.940 3.964 1.00 0.00 H new ATOM 0 HA ARG A 19 3.886 -14.608 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.212 -12.162 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.202 -12.199 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.211 -12.749 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.213 -12.664 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.950 -10.327 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.204 -10.296 5.612 1.00 0.00 H new ATOM 0 HE ARG A 19 6.284 -10.241 3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.570 -10.946 6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.243 -10.724 7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.448 -9.955 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.877 -10.161 5.896 1.00 0.00 H new ATOM 267 N LYS A 20 0.848 -14.778 6.748 1.00 0.00 N ATOM 268 CA LYS A 20 -0.018 -15.116 7.865 1.00 0.00 C ATOM 269 C LYS A 20 -0.207 -13.882 8.750 1.00 0.00 C ATOM 270 O LYS A 20 -0.399 -14.004 9.959 1.00 0.00 O ATOM 271 CB LYS A 20 0.526 -16.333 8.616 1.00 0.00 C ATOM 272 CG LYS A 20 0.388 -17.603 7.774 1.00 0.00 C ATOM 273 CD LYS A 20 -0.185 -18.753 8.606 1.00 0.00 C ATOM 274 CE LYS A 20 0.080 -20.101 7.933 1.00 0.00 C ATOM 275 NZ LYS A 20 -0.983 -21.071 8.279 1.00 0.00 N ATOM 0 H LYS A 20 0.396 -14.805 5.834 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.006 -15.407 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.574 -16.171 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.012 -16.455 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.261 -17.409 6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.362 -17.887 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.261 -18.745 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.258 -18.613 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.125 -19.972 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.049 -20.487 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.788 -21.981 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.007 -21.207 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.903 -20.708 7.957 1.00 0.00 H new ATOM 289 N GLU A 21 -0.147 -12.722 8.113 1.00 0.00 N ATOM 290 CA GLU A 21 -0.309 -11.467 8.827 1.00 0.00 C ATOM 291 C GLU A 21 -1.757 -10.983 8.727 1.00 0.00 C ATOM 292 O GLU A 21 -2.506 -11.048 9.701 1.00 0.00 O ATOM 293 CB GLU A 21 0.660 -10.407 8.300 1.00 0.00 C ATOM 294 CG GLU A 21 2.112 -10.814 8.560 1.00 0.00 C ATOM 295 CD GLU A 21 2.484 -10.608 10.030 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.139 -11.500 10.834 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.106 -9.562 10.316 1.00 0.00 O ATOM 0 H GLU A 21 0.012 -12.625 7.110 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.074 -11.637 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.504 -10.266 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.455 -9.450 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.255 -11.860 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.777 -10.227 7.927 1.00 0.00 H new ATOM 304 N LYS A 22 -2.109 -10.508 7.541 1.00 0.00 N ATOM 305 CA LYS A 22 -3.454 -10.014 7.302 1.00 0.00 C ATOM 306 C LYS A 22 -3.463 -9.172 6.024 1.00 0.00 C ATOM 307 O LYS A 22 -2.547 -8.386 5.787 1.00 0.00 O ATOM 308 CB LYS A 22 -3.978 -9.270 8.532 1.00 0.00 C ATOM 309 CG LYS A 22 -5.060 -8.261 8.142 1.00 0.00 C ATOM 310 CD LYS A 22 -4.495 -6.840 8.101 1.00 0.00 C ATOM 311 CE LYS A 22 -5.518 -5.859 7.525 1.00 0.00 C ATOM 312 NZ LYS A 22 -6.128 -5.053 8.606 1.00 0.00 N ATOM 0 H LYS A 22 -1.486 -10.455 6.735 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.142 -10.844 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.383 -9.985 9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.156 -8.754 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.470 -8.521 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.882 -8.309 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.213 -6.528 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.589 -6.823 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.034 -5.202 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.294 -6.406 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.471 -4.152 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.925 -5.576 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.417 -4.864 9.341 1.00 0.00 H new ATOM 326 N GLU A 23 -4.509 -9.365 5.234 1.00 0.00 N ATOM 327 CA GLU A 23 -4.650 -8.634 3.986 1.00 0.00 C ATOM 328 C GLU A 23 -4.161 -7.194 4.157 1.00 0.00 C ATOM 329 O GLU A 23 -4.149 -6.666 5.268 1.00 0.00 O ATOM 330 CB GLU A 23 -6.097 -8.666 3.492 1.00 0.00 C ATOM 331 CG GLU A 23 -6.290 -9.752 2.432 1.00 0.00 C ATOM 332 CD GLU A 23 -7.568 -9.511 1.625 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.653 -9.619 2.236 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.430 -9.224 0.417 1.00 0.00 O ATOM 0 H GLU A 23 -5.267 -10.017 5.434 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.032 -9.120 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.768 -8.849 4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.365 -7.695 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.430 -9.768 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.338 -10.729 2.912 1.00 0.00 H new ATOM 341 N PRO A 24 -3.759 -6.583 3.010 1.00 0.00 N ATOM 342 CA PRO A 24 -3.271 -5.215 3.023 1.00 0.00 C ATOM 343 C PRO A 24 -4.423 -4.223 3.188 1.00 0.00 C ATOM 344 O PRO A 24 -5.514 -4.440 2.662 1.00 0.00 O ATOM 345 CB PRO A 24 -2.529 -5.050 1.706 1.00 0.00 C ATOM 346 CG PRO A 24 -3.023 -6.172 0.807 1.00 0.00 C ATOM 347 CD PRO A 24 -3.759 -7.177 1.677 1.00 0.00 C ATOM 0 HA PRO A 24 -2.610 -5.012 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.733 -4.075 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.451 -5.114 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.684 -5.779 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.186 -6.649 0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.775 -7.343 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.258 -8.145 1.675 1.00 0.00 H new ATOM 355 N ASP A 25 -4.143 -3.155 3.920 1.00 0.00 N ATOM 356 CA ASP A 25 -5.142 -2.129 4.162 1.00 0.00 C ATOM 357 C ASP A 25 -4.884 -0.942 3.231 1.00 0.00 C ATOM 358 O ASP A 25 -3.947 -0.174 3.444 1.00 0.00 O ATOM 359 CB ASP A 25 -5.075 -1.622 5.603 1.00 0.00 C ATOM 360 CG ASP A 25 -6.305 -1.934 6.457 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.234 -1.098 6.441 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.289 -3.002 7.106 1.00 0.00 O ATOM 0 H ASP A 25 -3.237 -2.978 4.354 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.124 -2.566 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.198 -2.055 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.928 -0.542 5.586 1.00 0.00 H new ATOM 367 N TYR A 26 -5.731 -0.830 2.218 1.00 0.00 N ATOM 368 CA TYR A 26 -5.607 0.250 1.254 1.00 0.00 C ATOM 369 C TYR A 26 -6.412 1.474 1.695 1.00 0.00 C ATOM 370 O TYR A 26 -7.594 1.361 2.017 1.00 0.00 O ATOM 371 CB TYR A 26 -6.189 -0.284 -0.055 1.00 0.00 C ATOM 372 CG TYR A 26 -5.333 -1.362 -0.724 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.266 -0.999 -1.521 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.626 -2.696 -0.529 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.460 -2.013 -2.150 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.820 -3.710 -1.159 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.777 -3.318 -1.938 1.00 0.00 C ATOM 378 OH TYR A 26 -3.015 -4.275 -2.532 1.00 0.00 O ATOM 0 H TYR A 26 -6.506 -1.470 2.044 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.566 0.557 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.181 -0.692 0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.317 0.547 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.036 0.045 -1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.460 -2.980 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.622 -1.743 -2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.039 -4.758 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.357 -5.161 -2.291 1.00 0.00 H new ATOM 388 N ILE A 27 -5.740 2.616 1.695 1.00 0.00 N ATOM 389 CA ILE A 27 -6.378 3.860 2.090 1.00 0.00 C ATOM 390 C ILE A 27 -6.245 4.879 0.957 1.00 0.00 C ATOM 391 O ILE A 27 -5.444 4.694 0.042 1.00 0.00 O ATOM 392 CB ILE A 27 -5.816 4.349 3.427 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.684 3.195 4.422 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.657 5.497 3.988 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.248 2.669 4.465 1.00 0.00 C ATOM 0 H ILE A 27 -4.760 2.706 1.428 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.444 3.706 2.256 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.813 4.740 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.982 3.531 5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.362 2.389 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.236 5.826 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.654 6.328 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.681 5.156 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.182 1.849 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.962 2.312 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.576 3.471 4.770 1.00 0.00 H new ATOM 407 N LEU A 28 -7.042 5.933 1.056 1.00 0.00 N ATOM 408 CA LEU A 28 -7.023 6.982 0.050 1.00 0.00 C ATOM 409 C LEU A 28 -6.376 8.237 0.640 1.00 0.00 C ATOM 410 O LEU A 28 -6.948 8.881 1.517 1.00 0.00 O ATOM 411 CB LEU A 28 -8.430 7.219 -0.503 1.00 0.00 C ATOM 412 CG LEU A 28 -8.522 8.117 -1.738 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.101 9.550 -1.406 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.714 7.537 -2.900 1.00 0.00 C ATOM 0 H LEU A 28 -7.705 6.083 1.817 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.416 6.680 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.871 6.252 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.040 7.657 0.287 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.564 8.153 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.175 10.168 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.756 9.952 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.072 9.553 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.797 8.195 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.667 7.451 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.101 6.551 -3.156 1.00 0.00 H new ATOM 426 N LEU A 29 -5.190 8.545 0.135 1.00 0.00 N ATOM 427 CA LEU A 29 -4.459 9.711 0.601 1.00 0.00 C ATOM 428 C LEU A 29 -5.170 10.979 0.122 1.00 0.00 C ATOM 429 O LEU A 29 -5.589 11.803 0.934 1.00 0.00 O ATOM 430 CB LEU A 29 -2.992 9.630 0.172 1.00 0.00 C ATOM 431 CG LEU A 29 -2.113 8.664 0.969 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.630 8.983 0.772 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.506 8.658 2.448 1.00 0.00 C ATOM 0 H LEU A 29 -4.718 8.007 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.448 9.743 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.957 9.340 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.558 10.627 0.242 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.280 7.657 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.027 8.282 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.376 8.896 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.428 9.999 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.866 7.963 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.387 9.660 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.546 8.347 2.547 1.00 0.00 H new ATOM 445 N SER A 30 -5.283 11.095 -1.192 1.00 0.00 N ATOM 446 CA SER A 30 -5.936 12.248 -1.788 1.00 0.00 C ATOM 447 C SER A 30 -6.140 12.018 -3.287 1.00 0.00 C ATOM 448 O SER A 30 -5.999 10.896 -3.771 1.00 0.00 O ATOM 449 CB SER A 30 -5.125 13.523 -1.553 1.00 0.00 C ATOM 450 OG SER A 30 -5.927 14.695 -1.664 1.00 0.00 O ATOM 0 H SER A 30 -4.933 10.409 -1.861 1.00 0.00 H new ATOM 0 HA SER A 30 -6.908 12.374 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.672 13.487 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.310 13.572 -2.275 1.00 0.00 H new ATOM 0 HG SER A 30 -5.372 15.487 -1.506 1.00 0.00 H new ATOM 456 N GLU A 31 -6.468 13.098 -3.980 1.00 0.00 N ATOM 457 CA GLU A 31 -6.693 13.028 -5.414 1.00 0.00 C ATOM 458 C GLU A 31 -6.487 14.403 -6.051 1.00 0.00 C ATOM 459 O GLU A 31 -7.139 15.373 -5.668 1.00 0.00 O ATOM 460 CB GLU A 31 -8.089 12.483 -5.724 1.00 0.00 C ATOM 461 CG GLU A 31 -9.169 13.321 -5.037 1.00 0.00 C ATOM 462 CD GLU A 31 -9.110 13.151 -3.517 1.00 0.00 C ATOM 463 OE1 GLU A 31 -9.325 12.006 -3.065 1.00 0.00 O ATOM 464 OE2 GLU A 31 -8.850 14.171 -2.842 1.00 0.00 O ATOM 0 H GLU A 31 -6.583 14.027 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.966 12.338 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.253 12.484 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.161 11.447 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.038 14.372 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.152 13.024 -5.402 1.00 0.00 H new ATOM 471 N ARG A 32 -5.577 14.444 -7.014 1.00 0.00 N ATOM 472 CA ARG A 32 -5.277 15.684 -7.708 1.00 0.00 C ATOM 473 C ARG A 32 -4.477 15.400 -8.981 1.00 0.00 C ATOM 474 O ARG A 32 -3.992 14.287 -9.178 1.00 0.00 O ATOM 475 CB ARG A 32 -4.478 16.636 -6.815 1.00 0.00 C ATOM 476 CG ARG A 32 -5.406 17.606 -6.081 1.00 0.00 C ATOM 477 CD ARG A 32 -5.451 17.294 -4.583 1.00 0.00 C ATOM 478 NE ARG A 32 -4.961 18.457 -3.809 1.00 0.00 N ATOM 479 CZ ARG A 32 -3.668 18.702 -3.559 1.00 0.00 C ATOM 480 NH1 ARG A 32 -2.726 17.867 -4.019 1.00 0.00 N ATOM 481 NH2 ARG A 32 -3.316 19.782 -2.848 1.00 0.00 N ATOM 0 H ARG A 32 -5.038 13.638 -7.330 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.225 16.156 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.900 16.062 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.765 17.196 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.062 18.629 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.410 17.542 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.471 17.051 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.839 16.419 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.651 19.113 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.994 17.045 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.742 18.054 -3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.033 20.417 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.331 19.969 -2.658 1.00 0.00 H new ATOM 495 N GLY A 33 -4.365 16.425 -9.813 1.00 0.00 N ATOM 496 CA GLY A 33 -3.633 16.299 -11.062 1.00 0.00 C ATOM 497 C GLY A 33 -4.416 16.918 -12.221 1.00 0.00 C ATOM 498 O GLY A 33 -5.593 17.246 -12.075 1.00 0.00 O ATOM 0 H GLY A 33 -4.769 17.347 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.664 16.789 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.440 15.247 -11.270 1.00 0.00 H new ATOM 502 N MET A 34 -3.732 17.059 -13.347 1.00 0.00 N ATOM 503 CA MET A 34 -4.349 17.633 -14.531 1.00 0.00 C ATOM 504 C MET A 34 -5.680 16.946 -14.843 1.00 0.00 C ATOM 505 O MET A 34 -5.963 15.867 -14.324 1.00 0.00 O ATOM 506 CB MET A 34 -3.403 17.482 -15.724 1.00 0.00 C ATOM 507 CG MET A 34 -2.430 18.660 -15.805 1.00 0.00 C ATOM 508 SD MET A 34 -1.017 18.217 -16.802 1.00 0.00 S ATOM 509 CE MET A 34 -1.273 19.296 -18.200 1.00 0.00 C ATOM 0 H MET A 34 -2.756 16.786 -13.465 1.00 0.00 H new ATOM 0 HA MET A 34 -4.543 18.689 -14.342 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.845 16.550 -15.634 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.981 17.420 -16.646 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.931 19.527 -16.235 1.00 0.00 H new ATOM 0 HG3 MET A 34 -2.105 18.943 -14.804 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.473 19.147 -18.926 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.232 19.068 -18.665 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.270 20.333 -17.864 1.00 0.00 H new ATOM 519 N PRO A 35 -6.482 17.616 -15.714 1.00 0.00 N ATOM 520 CA PRO A 35 -7.776 17.081 -16.102 1.00 0.00 C ATOM 521 C PRO A 35 -7.617 15.921 -17.087 1.00 0.00 C ATOM 522 O PRO A 35 -8.313 14.913 -16.982 1.00 0.00 O ATOM 523 CB PRO A 35 -8.529 18.262 -16.692 1.00 0.00 C ATOM 524 CG PRO A 35 -7.473 19.299 -17.038 1.00 0.00 C ATOM 525 CD PRO A 35 -6.180 18.895 -16.349 1.00 0.00 C ATOM 0 HA PRO A 35 -8.324 16.656 -15.261 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.089 17.964 -17.578 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.250 18.662 -15.978 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.330 19.353 -18.117 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.788 20.289 -16.709 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.363 18.799 -17.065 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.874 19.639 -15.614 1.00 0.00 H new ATOM 533 N ARG A 36 -6.696 16.103 -18.022 1.00 0.00 N ATOM 534 CA ARG A 36 -6.437 15.085 -19.026 1.00 0.00 C ATOM 535 C ARG A 36 -6.070 13.760 -18.354 1.00 0.00 C ATOM 536 O ARG A 36 -6.688 12.731 -18.624 1.00 0.00 O ATOM 537 CB ARG A 36 -5.301 15.508 -19.959 1.00 0.00 C ATOM 538 CG ARG A 36 -5.850 16.130 -21.244 1.00 0.00 C ATOM 539 CD ARG A 36 -5.117 17.430 -21.580 1.00 0.00 C ATOM 540 NE ARG A 36 -3.710 17.141 -21.937 1.00 0.00 N ATOM 541 CZ ARG A 36 -2.871 18.038 -22.472 1.00 0.00 C ATOM 542 NH1 ARG A 36 -3.291 19.287 -22.715 1.00 0.00 N ATOM 543 NH2 ARG A 36 -1.611 17.686 -22.764 1.00 0.00 N ATOM 0 H ARG A 36 -6.120 16.941 -18.105 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.346 14.959 -19.614 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.656 16.225 -19.451 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.685 14.643 -20.204 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.743 15.425 -22.068 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.916 16.328 -21.130 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.615 17.934 -22.409 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.152 18.108 -20.727 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.357 16.200 -21.765 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.250 19.555 -22.493 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.652 19.970 -23.122 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.291 16.735 -22.579 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.972 18.369 -23.171 1.00 0.00 H new ATOM 557 N ARG A 37 -5.065 13.828 -17.493 1.00 0.00 N ATOM 558 CA ARG A 37 -4.608 12.646 -16.781 1.00 0.00 C ATOM 559 C ARG A 37 -4.433 12.958 -15.293 1.00 0.00 C ATOM 560 O ARG A 37 -3.317 13.195 -14.833 1.00 0.00 O ATOM 561 CB ARG A 37 -3.281 12.140 -17.349 1.00 0.00 C ATOM 562 CG ARG A 37 -3.507 11.312 -18.616 1.00 0.00 C ATOM 563 CD ARG A 37 -3.262 9.825 -18.349 1.00 0.00 C ATOM 564 NE ARG A 37 -4.508 9.059 -18.575 1.00 0.00 N ATOM 565 CZ ARG A 37 -4.939 8.663 -19.781 1.00 0.00 C ATOM 566 NH1 ARG A 37 -4.227 8.960 -20.877 1.00 0.00 N ATOM 567 NH2 ARG A 37 -6.082 7.972 -19.891 1.00 0.00 N ATOM 0 H ARG A 37 -4.554 14.683 -17.272 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.363 11.870 -16.907 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.632 12.986 -17.574 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.768 11.535 -16.601 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.526 11.458 -18.973 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.840 11.658 -19.405 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.473 9.454 -19.004 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.918 9.683 -17.324 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.074 8.817 -17.762 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.358 9.487 -20.793 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.554 8.659 -21.795 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.624 7.747 -19.057 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.410 7.671 -20.809 1.00 0.00 H new ATOM 581 N ARG A 38 -5.551 12.947 -14.583 1.00 0.00 N ATOM 582 CA ARG A 38 -5.535 13.225 -13.157 1.00 0.00 C ATOM 583 C ARG A 38 -4.618 12.237 -12.434 1.00 0.00 C ATOM 584 O ARG A 38 -4.016 11.368 -13.063 1.00 0.00 O ATOM 585 CB ARG A 38 -6.942 13.135 -12.562 1.00 0.00 C ATOM 586 CG ARG A 38 -7.187 14.264 -11.559 1.00 0.00 C ATOM 587 CD ARG A 38 -8.678 14.590 -11.454 1.00 0.00 C ATOM 588 NE ARG A 38 -8.890 15.679 -10.475 1.00 0.00 N ATOM 589 CZ ARG A 38 -10.074 15.971 -9.920 1.00 0.00 C ATOM 590 NH1 ARG A 38 -11.160 15.257 -10.245 1.00 0.00 N ATOM 591 NH2 ARG A 38 -10.172 16.977 -9.041 1.00 0.00 N ATOM 0 H ARG A 38 -6.474 12.750 -14.969 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.160 14.240 -13.021 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.682 13.186 -13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.071 12.171 -12.069 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.804 13.975 -10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.637 15.154 -11.866 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.063 14.887 -12.429 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.232 13.702 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.084 16.243 -10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.085 14.491 -10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.062 15.479 -9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.345 17.521 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.073 17.199 -8.619 1.00 0.00 H new ATOM 605 N GLU A 39 -4.542 12.402 -11.121 1.00 0.00 N ATOM 606 CA GLU A 39 -3.708 11.535 -10.306 1.00 0.00 C ATOM 607 C GLU A 39 -4.375 11.277 -8.953 1.00 0.00 C ATOM 608 O GLU A 39 -4.952 12.186 -8.358 1.00 0.00 O ATOM 609 CB GLU A 39 -2.311 12.130 -10.124 1.00 0.00 C ATOM 610 CG GLU A 39 -1.279 11.034 -9.852 1.00 0.00 C ATOM 611 CD GLU A 39 -0.184 11.034 -10.921 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.641 11.972 -10.888 1.00 0.00 O ATOM 613 OE2 GLU A 39 -0.198 10.096 -11.747 1.00 0.00 O ATOM 0 H GLU A 39 -5.044 13.123 -10.602 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.596 10.581 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.029 12.686 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.319 12.840 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.833 11.186 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.772 10.062 -9.832 1.00 0.00 H new ATOM 620 N PHE A 40 -4.274 10.034 -8.506 1.00 0.00 N ATOM 621 CA PHE A 40 -4.860 9.646 -7.235 1.00 0.00 C ATOM 622 C PHE A 40 -3.824 8.962 -6.340 1.00 0.00 C ATOM 623 O PHE A 40 -3.137 8.039 -6.773 1.00 0.00 O ATOM 624 CB PHE A 40 -5.983 8.654 -7.544 1.00 0.00 C ATOM 625 CG PHE A 40 -7.257 9.305 -8.086 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.362 9.595 -9.410 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.284 9.593 -7.243 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.545 10.200 -9.913 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.467 10.198 -7.745 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.572 10.489 -9.069 1.00 0.00 C ATOM 0 H PHE A 40 -3.795 9.282 -9.002 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.229 10.528 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.621 7.927 -8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.227 8.103 -6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.546 9.365 -10.079 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.200 9.362 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.629 10.430 -10.965 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.283 10.427 -7.075 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.471 10.950 -9.451 1.00 0.00 H new ATOM 640 N VAL A 41 -3.745 9.443 -5.107 1.00 0.00 N ATOM 641 CA VAL A 41 -2.805 8.890 -4.147 1.00 0.00 C ATOM 642 C VAL A 41 -3.487 7.771 -3.358 1.00 0.00 C ATOM 643 O VAL A 41 -4.557 7.974 -2.786 1.00 0.00 O ATOM 644 CB VAL A 41 -2.254 10.003 -3.253 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.106 9.489 -2.382 1.00 0.00 C ATOM 646 CG2 VAL A 41 -1.813 11.208 -4.087 1.00 0.00 C ATOM 0 H VAL A 41 -4.317 10.209 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.949 8.451 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.056 10.329 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.733 10.300 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.465 8.678 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.301 9.123 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.425 11.985 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.033 10.902 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.666 11.597 -4.644 1.00 0.00 H new ATOM 656 N MET A 42 -2.840 6.615 -3.351 1.00 0.00 N ATOM 657 CA MET A 42 -3.371 5.465 -2.641 1.00 0.00 C ATOM 658 C MET A 42 -2.326 4.877 -1.690 1.00 0.00 C ATOM 659 O MET A 42 -1.191 4.624 -2.090 1.00 0.00 O ATOM 660 CB MET A 42 -3.803 4.397 -3.649 1.00 0.00 C ATOM 661 CG MET A 42 -4.962 3.562 -3.100 1.00 0.00 C ATOM 662 SD MET A 42 -6.366 4.612 -2.767 1.00 0.00 S ATOM 663 CE MET A 42 -7.632 3.374 -2.543 1.00 0.00 C ATOM 0 H MET A 42 -1.953 6.450 -3.826 1.00 0.00 H new ATOM 0 HA MET A 42 -4.229 5.790 -2.052 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.103 4.873 -4.582 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.959 3.747 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.237 2.790 -3.818 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.654 3.053 -2.187 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.583 3.861 -2.325 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.727 2.782 -3.453 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.360 2.722 -1.713 1.00 0.00 H new ATOM 673 N GLN A 43 -2.747 4.676 -0.450 1.00 0.00 N ATOM 674 CA GLN A 43 -1.862 4.122 0.560 1.00 0.00 C ATOM 675 C GLN A 43 -2.178 2.643 0.790 1.00 0.00 C ATOM 676 O GLN A 43 -3.297 2.198 0.541 1.00 0.00 O ATOM 677 CB GLN A 43 -1.959 4.913 1.867 1.00 0.00 C ATOM 678 CG GLN A 43 -0.676 4.774 2.689 1.00 0.00 C ATOM 679 CD GLN A 43 -0.992 4.639 4.180 1.00 0.00 C ATOM 680 OE1 GLN A 43 -1.406 3.598 4.661 1.00 0.00 O ATOM 681 NE2 GLN A 43 -0.775 5.748 4.881 1.00 0.00 N ATOM 0 H GLN A 43 -3.689 4.887 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.836 4.202 0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.142 5.965 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.809 4.557 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.117 3.901 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.039 5.644 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.427 6.586 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.956 5.761 5.885 1.00 0.00 H new ATOM 690 N VAL A 44 -1.171 1.922 1.262 1.00 0.00 N ATOM 691 CA VAL A 44 -1.327 0.502 1.528 1.00 0.00 C ATOM 692 C VAL A 44 -0.568 0.141 2.806 1.00 0.00 C ATOM 693 O VAL A 44 0.616 0.447 2.936 1.00 0.00 O ATOM 694 CB VAL A 44 -0.875 -0.310 0.313 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.649 -0.292 0.178 1.00 0.00 C ATOM 696 CG2 VAL A 44 -1.401 -1.745 0.386 1.00 0.00 C ATOM 0 H VAL A 44 -0.244 2.295 1.467 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.376 0.257 1.693 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.296 0.157 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.944 -0.877 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.992 0.736 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.099 -0.722 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.065 -2.301 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.022 -2.226 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.491 -1.732 0.412 1.00 0.00 H new ATOM 706 N LYS A 45 -1.280 -0.507 3.716 1.00 0.00 N ATOM 707 CA LYS A 45 -0.688 -0.914 4.979 1.00 0.00 C ATOM 708 C LYS A 45 -0.574 -2.439 5.016 1.00 0.00 C ATOM 709 O LYS A 45 -1.565 -3.144 4.830 1.00 0.00 O ATOM 710 CB LYS A 45 -1.475 -0.327 6.153 1.00 0.00 C ATOM 711 CG LYS A 45 -0.538 0.075 7.294 1.00 0.00 C ATOM 712 CD LYS A 45 -1.331 0.449 8.548 1.00 0.00 C ATOM 713 CE LYS A 45 -1.325 1.963 8.770 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.318 2.340 9.800 1.00 0.00 N ATOM 0 H LYS A 45 -2.262 -0.760 3.604 1.00 0.00 H new ATOM 0 HA LYS A 45 0.323 -0.516 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.040 0.543 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.199 -1.058 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.140 -0.748 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.078 0.919 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.358 0.096 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.902 -0.051 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.331 2.287 9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.551 2.475 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.301 3.371 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.267 2.048 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.085 1.867 10.696 1.00 0.00 H new ATOM 728 N VAL A 46 0.643 -2.904 5.257 1.00 0.00 N ATOM 729 CA VAL A 46 0.899 -4.333 5.321 1.00 0.00 C ATOM 730 C VAL A 46 1.643 -4.655 6.618 1.00 0.00 C ATOM 731 O VAL A 46 2.810 -4.298 6.774 1.00 0.00 O ATOM 732 CB VAL A 46 1.655 -4.785 4.070 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.408 -6.092 4.327 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.707 -4.923 2.877 1.00 0.00 C ATOM 0 H VAL A 46 1.463 -2.317 5.410 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.038 -4.889 5.337 1.00 0.00 H new ATOM 0 HB VAL A 46 2.390 -4.018 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.937 -6.391 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.125 -5.946 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.699 -6.871 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.269 -5.245 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.062 -5.661 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.237 -3.961 2.673 1.00 0.00 H new ATOM 744 N GLY A 47 0.938 -5.328 7.516 1.00 0.00 N ATOM 745 CA GLY A 47 1.517 -5.703 8.795 1.00 0.00 C ATOM 746 C GLY A 47 1.958 -4.466 9.581 1.00 0.00 C ATOM 747 O GLY A 47 1.131 -3.780 10.180 1.00 0.00 O ATOM 0 H GLY A 47 -0.029 -5.623 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.788 -6.267 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.372 -6.359 8.633 1.00 0.00 H new ATOM 751 N ASN A 48 3.259 -4.219 9.554 1.00 0.00 N ATOM 752 CA ASN A 48 3.819 -3.077 10.256 1.00 0.00 C ATOM 753 C ASN A 48 4.523 -2.162 9.253 1.00 0.00 C ATOM 754 O ASN A 48 5.424 -1.410 9.619 1.00 0.00 O ATOM 755 CB ASN A 48 4.851 -3.522 11.295 1.00 0.00 C ATOM 756 CG ASN A 48 4.166 -4.074 12.547 1.00 0.00 C ATOM 757 OD1 ASN A 48 3.077 -3.669 12.919 1.00 0.00 O ATOM 758 ND2 ASN A 48 4.863 -5.017 13.173 1.00 0.00 N ATOM 0 H ASN A 48 3.942 -4.791 9.057 1.00 0.00 H new ATOM 0 HA ASN A 48 3.003 -2.556 10.757 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.500 -4.285 10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.487 -2.679 11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.492 -5.448 14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.769 -5.309 12.807 1.00 0.00 H new ATOM 765 N GLU A 49 4.084 -2.255 8.006 1.00 0.00 N ATOM 766 CA GLU A 49 4.661 -1.444 6.947 1.00 0.00 C ATOM 767 C GLU A 49 3.559 -0.704 6.186 1.00 0.00 C ATOM 768 O GLU A 49 2.388 -1.073 6.266 1.00 0.00 O ATOM 769 CB GLU A 49 5.503 -2.300 5.998 1.00 0.00 C ATOM 770 CG GLU A 49 6.913 -2.507 6.553 1.00 0.00 C ATOM 771 CD GLU A 49 6.953 -3.689 7.524 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.282 -4.698 7.217 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.652 -3.556 8.551 1.00 0.00 O ATOM 0 H GLU A 49 3.336 -2.879 7.705 1.00 0.00 H new ATOM 0 HA GLU A 49 5.322 -0.705 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.021 -3.266 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.560 -1.819 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.608 -2.683 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.243 -1.602 7.063 1.00 0.00 H new ATOM 780 N VAL A 50 3.973 0.328 5.465 1.00 0.00 N ATOM 781 CA VAL A 50 3.036 1.123 4.690 1.00 0.00 C ATOM 782 C VAL A 50 3.714 1.590 3.400 1.00 0.00 C ATOM 783 O VAL A 50 4.929 1.776 3.366 1.00 0.00 O ATOM 784 CB VAL A 50 2.505 2.280 5.539 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.253 3.578 5.226 1.00 0.00 C ATOM 786 CG2 VAL A 50 0.998 2.456 5.344 1.00 0.00 C ATOM 0 H VAL A 50 4.945 0.632 5.401 1.00 0.00 H new ATOM 0 HA VAL A 50 2.172 0.523 4.404 1.00 0.00 H new ATOM 0 HB VAL A 50 2.681 2.035 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.856 4.384 5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.314 3.447 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.122 3.829 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.646 3.285 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.789 2.668 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.484 1.541 5.639 1.00 0.00 H new ATOM 796 N ALA A 51 2.899 1.765 2.370 1.00 0.00 N ATOM 797 CA ALA A 51 3.405 2.206 1.082 1.00 0.00 C ATOM 798 C ALA A 51 2.355 3.085 0.400 1.00 0.00 C ATOM 799 O ALA A 51 1.201 3.121 0.824 1.00 0.00 O ATOM 800 CB ALA A 51 3.782 0.987 0.237 1.00 0.00 C ATOM 0 H ALA A 51 1.891 1.609 2.402 1.00 0.00 H new ATOM 0 HA ALA A 51 4.306 2.806 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.162 1.318 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.552 0.412 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.902 0.362 0.086 1.00 0.00 H new ATOM 806 N THR A 52 2.793 3.773 -0.644 1.00 0.00 N ATOM 807 CA THR A 52 1.905 4.650 -1.389 1.00 0.00 C ATOM 808 C THR A 52 2.077 4.430 -2.893 1.00 0.00 C ATOM 809 O THR A 52 3.147 4.030 -3.347 1.00 0.00 O ATOM 810 CB THR A 52 2.183 6.088 -0.949 1.00 0.00 C ATOM 811 OG1 THR A 52 3.594 6.123 -0.749 1.00 0.00 O ATOM 812 CG2 THR A 52 1.603 6.401 0.432 1.00 0.00 C ATOM 0 H THR A 52 3.751 3.741 -0.992 1.00 0.00 H new ATOM 0 HA THR A 52 0.859 4.427 -1.178 1.00 0.00 H new ATOM 0 HB THR A 52 1.766 6.779 -1.682 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.862 7.021 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.829 7.434 0.696 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.522 6.259 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.044 5.733 1.172 1.00 0.00 H new ATOM 820 N GLY A 53 1.005 4.701 -3.624 1.00 0.00 N ATOM 821 CA GLY A 53 1.024 4.538 -5.068 1.00 0.00 C ATOM 822 C GLY A 53 0.084 5.538 -5.745 1.00 0.00 C ATOM 823 O GLY A 53 -0.914 5.952 -5.158 1.00 0.00 O ATOM 0 H GLY A 53 0.118 5.032 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.039 4.678 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.727 3.522 -5.327 1.00 0.00 H new ATOM 827 N THR A 54 0.437 5.897 -6.970 1.00 0.00 N ATOM 828 CA THR A 54 -0.362 6.841 -7.733 1.00 0.00 C ATOM 829 C THR A 54 -0.561 6.336 -9.164 1.00 0.00 C ATOM 830 O THR A 54 0.201 5.498 -9.642 1.00 0.00 O ATOM 831 CB THR A 54 0.323 8.207 -7.661 1.00 0.00 C ATOM 832 OG1 THR A 54 1.681 7.933 -7.993 1.00 0.00 O ATOM 833 CG2 THR A 54 0.391 8.753 -6.233 1.00 0.00 C ATOM 0 H THR A 54 1.266 5.551 -7.454 1.00 0.00 H new ATOM 0 HA THR A 54 -1.363 6.941 -7.314 1.00 0.00 H new ATOM 0 HB THR A 54 -0.211 8.915 -8.295 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.197 8.766 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.886 9.724 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.619 8.863 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.954 8.062 -5.606 1.00 0.00 H new ATOM 841 N GLY A 55 -1.590 6.869 -9.807 1.00 0.00 N ATOM 842 CA GLY A 55 -1.900 6.483 -11.173 1.00 0.00 C ATOM 843 C GLY A 55 -2.927 7.434 -11.792 1.00 0.00 C ATOM 844 O GLY A 55 -3.277 8.450 -11.193 1.00 0.00 O ATOM 0 H GLY A 55 -2.219 7.565 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.989 6.486 -11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.287 5.464 -11.188 1.00 0.00 H new ATOM 848 N PRO A 56 -3.393 7.060 -13.014 1.00 0.00 N ATOM 849 CA PRO A 56 -4.372 7.868 -13.720 1.00 0.00 C ATOM 850 C PRO A 56 -5.763 7.707 -13.103 1.00 0.00 C ATOM 851 O PRO A 56 -6.688 8.441 -13.448 1.00 0.00 O ATOM 852 CB PRO A 56 -4.305 7.395 -15.163 1.00 0.00 C ATOM 853 CG PRO A 56 -3.632 6.032 -15.124 1.00 0.00 C ATOM 854 CD PRO A 56 -3.000 5.863 -13.752 1.00 0.00 C ATOM 0 HA PRO A 56 -4.162 8.936 -13.654 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.302 7.326 -15.598 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.737 8.094 -15.777 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.360 5.242 -15.309 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.875 5.958 -15.905 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.358 4.959 -13.260 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.916 5.780 -13.823 1.00 0.00 H new ATOM 862 N ASN A 57 -5.867 6.743 -12.200 1.00 0.00 N ATOM 863 CA ASN A 57 -7.129 6.477 -11.531 1.00 0.00 C ATOM 864 C ASN A 57 -6.863 5.706 -10.236 1.00 0.00 C ATOM 865 O ASN A 57 -5.873 4.984 -10.132 1.00 0.00 O ATOM 866 CB ASN A 57 -8.048 5.625 -12.408 1.00 0.00 C ATOM 867 CG ASN A 57 -7.250 4.889 -13.486 1.00 0.00 C ATOM 868 OD1 ASN A 57 -6.495 5.475 -14.244 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.458 3.576 -13.512 1.00 0.00 N ATOM 0 H ASN A 57 -5.098 6.136 -11.916 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.610 7.433 -11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.581 4.903 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.800 6.260 -12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.972 2.996 -14.196 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.104 3.149 -12.848 1.00 0.00 H new ATOM 876 N LYS A 58 -7.764 5.886 -9.282 1.00 0.00 N ATOM 877 CA LYS A 58 -7.639 5.217 -7.999 1.00 0.00 C ATOM 878 C LYS A 58 -7.249 3.755 -8.227 1.00 0.00 C ATOM 879 O LYS A 58 -6.286 3.267 -7.637 1.00 0.00 O ATOM 880 CB LYS A 58 -8.918 5.390 -7.177 1.00 0.00 C ATOM 881 CG LYS A 58 -8.720 6.426 -6.067 1.00 0.00 C ATOM 882 CD LYS A 58 -9.984 7.265 -5.869 1.00 0.00 C ATOM 883 CE LYS A 58 -11.087 6.444 -5.196 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.382 7.156 -5.271 1.00 0.00 N ATOM 0 H LYS A 58 -8.584 6.486 -9.372 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.844 5.672 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.734 5.701 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.206 4.434 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.464 5.922 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.882 7.077 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.753 8.139 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.336 7.632 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.172 5.471 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.827 6.259 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.119 6.585 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.302 8.074 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.636 7.310 -6.268 1.00 0.00 H new ATOM 898 N LYS A 59 -8.016 3.098 -9.084 1.00 0.00 N ATOM 899 CA LYS A 59 -7.762 1.702 -9.397 1.00 0.00 C ATOM 900 C LYS A 59 -6.255 1.483 -9.545 1.00 0.00 C ATOM 901 O LYS A 59 -5.635 0.826 -8.710 1.00 0.00 O ATOM 902 CB LYS A 59 -8.569 1.273 -10.624 1.00 0.00 C ATOM 903 CG LYS A 59 -9.809 0.476 -10.214 1.00 0.00 C ATOM 904 CD LYS A 59 -10.986 1.407 -9.918 1.00 0.00 C ATOM 905 CE LYS A 59 -11.640 1.891 -11.213 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.877 1.126 -11.487 1.00 0.00 N ATOM 0 H LYS A 59 -8.814 3.506 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.099 1.061 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.870 2.153 -11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.944 0.668 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.080 -0.217 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.585 -0.124 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.723 0.885 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.641 2.263 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.872 2.953 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.943 1.777 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.308 1.468 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.647 0.116 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.547 1.256 -10.702 1.00 0.00 H new ATOM 920 N ILE A 60 -5.709 2.045 -10.613 1.00 0.00 N ATOM 921 CA ILE A 60 -4.287 1.920 -10.881 1.00 0.00 C ATOM 922 C ILE A 60 -3.498 2.396 -9.660 1.00 0.00 C ATOM 923 O ILE A 60 -2.468 1.817 -9.316 1.00 0.00 O ATOM 924 CB ILE A 60 -3.918 2.650 -12.174 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.580 1.988 -13.385 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.400 2.749 -12.334 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.259 2.753 -14.671 1.00 0.00 C ATOM 0 H ILE A 60 -6.227 2.589 -11.304 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.022 0.876 -11.045 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.302 3.668 -12.113 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.235 0.958 -13.475 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.660 1.951 -13.239 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.165 3.272 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.980 3.298 -11.491 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.971 1.747 -12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.741 2.262 -15.516 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.627 3.776 -14.587 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.180 2.767 -14.827 1.00 0.00 H new ATOM 939 N ALA A 61 -4.011 3.447 -9.037 1.00 0.00 N ATOM 940 CA ALA A 61 -3.368 4.008 -7.861 1.00 0.00 C ATOM 941 C ALA A 61 -3.081 2.888 -6.858 1.00 0.00 C ATOM 942 O ALA A 61 -1.936 2.686 -6.459 1.00 0.00 O ATOM 943 CB ALA A 61 -4.253 5.107 -7.270 1.00 0.00 C ATOM 0 H ALA A 61 -4.865 3.925 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.415 4.465 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.770 5.528 -6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.402 5.892 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.218 4.685 -6.989 1.00 0.00 H new ATOM 949 N LYS A 62 -4.142 2.189 -6.481 1.00 0.00 N ATOM 950 CA LYS A 62 -4.018 1.095 -5.533 1.00 0.00 C ATOM 951 C LYS A 62 -2.995 0.086 -6.056 1.00 0.00 C ATOM 952 O LYS A 62 -2.264 -0.524 -5.277 1.00 0.00 O ATOM 953 CB LYS A 62 -5.390 0.484 -5.239 1.00 0.00 C ATOM 954 CG LYS A 62 -5.280 -0.638 -4.204 1.00 0.00 C ATOM 955 CD LYS A 62 -6.043 -1.883 -4.661 1.00 0.00 C ATOM 956 CE LYS A 62 -7.554 -1.675 -4.539 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.986 -1.822 -3.132 1.00 0.00 N ATOM 0 H LYS A 62 -5.091 2.359 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.645 1.460 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.065 1.257 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.823 0.093 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.231 -0.888 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.675 -0.295 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.786 -2.112 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.741 -2.740 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.821 -0.684 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.078 -2.398 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.466 -2.737 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.155 -1.781 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.641 -1.052 -2.888 1.00 0.00 H new ATOM 971 N LYS A 63 -2.974 -0.060 -7.373 1.00 0.00 N ATOM 972 CA LYS A 63 -2.052 -0.985 -8.009 1.00 0.00 C ATOM 973 C LYS A 63 -0.616 -0.520 -7.759 1.00 0.00 C ATOM 974 O LYS A 63 0.277 -1.338 -7.545 1.00 0.00 O ATOM 975 CB LYS A 63 -2.396 -1.150 -9.491 1.00 0.00 C ATOM 976 CG LYS A 63 -3.236 -2.407 -9.723 1.00 0.00 C ATOM 977 CD LYS A 63 -4.303 -2.165 -10.793 1.00 0.00 C ATOM 978 CE LYS A 63 -5.603 -1.657 -10.166 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.726 -2.563 -10.497 1.00 0.00 N ATOM 0 H LYS A 63 -3.581 0.447 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.146 -1.979 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.942 -0.274 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.478 -1.208 -10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.589 -3.229 -10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.713 -2.707 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.937 -1.439 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.494 -3.090 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.490 -1.589 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.820 -0.652 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.601 -2.204 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.844 -2.607 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.524 -3.515 -10.130 1.00 0.00 H new ATOM 993 N ASN A 64 -0.438 0.793 -7.794 1.00 0.00 N ATOM 994 CA ASN A 64 0.874 1.376 -7.574 1.00 0.00 C ATOM 995 C ASN A 64 1.215 1.306 -6.084 1.00 0.00 C ATOM 996 O ASN A 64 2.387 1.274 -5.713 1.00 0.00 O ATOM 997 CB ASN A 64 0.900 2.847 -7.996 1.00 0.00 C ATOM 998 CG ASN A 64 1.278 2.987 -9.472 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.411 3.272 -9.825 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.269 2.772 -10.311 1.00 0.00 N ATOM 0 H ASN A 64 -1.181 1.469 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 64 1.596 0.817 -8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.078 3.296 -7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.615 3.393 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.419 2.842 -11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.655 2.537 -9.948 1.00 0.00 H new ATOM 1007 N ALA A 65 0.169 1.283 -5.271 1.00 0.00 N ATOM 1008 CA ALA A 65 0.344 1.217 -3.830 1.00 0.00 C ATOM 1009 C ALA A 65 0.997 -0.117 -3.460 1.00 0.00 C ATOM 1010 O ALA A 65 2.040 -0.142 -2.809 1.00 0.00 O ATOM 1011 CB ALA A 65 -1.009 1.414 -3.142 1.00 0.00 C ATOM 0 H ALA A 65 -0.802 1.309 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 65 1.004 2.014 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.878 1.365 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.417 2.387 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.697 0.630 -3.460 1.00 0.00 H new ATOM 1017 N ALA A 66 0.356 -1.193 -3.892 1.00 0.00 N ATOM 1018 CA ALA A 66 0.861 -2.527 -3.615 1.00 0.00 C ATOM 1019 C ALA A 66 2.292 -2.646 -4.145 1.00 0.00 C ATOM 1020 O ALA A 66 3.176 -3.139 -3.447 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.077 -3.567 -4.230 1.00 0.00 C ATOM 0 H ALA A 66 -0.509 -1.168 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 66 0.891 -2.710 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.302 -4.567 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.072 -3.459 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.130 -3.416 -5.308 1.00 0.00 H new ATOM 1027 N GLU A 67 2.474 -2.185 -5.373 1.00 0.00 N ATOM 1028 CA GLU A 67 3.781 -2.233 -6.005 1.00 0.00 C ATOM 1029 C GLU A 67 4.856 -1.730 -5.039 1.00 0.00 C ATOM 1030 O GLU A 67 5.740 -2.487 -4.639 1.00 0.00 O ATOM 1031 CB GLU A 67 3.793 -1.427 -7.305 1.00 0.00 C ATOM 1032 CG GLU A 67 4.997 -1.802 -8.172 1.00 0.00 C ATOM 1033 CD GLU A 67 5.174 -0.809 -9.323 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.691 0.294 -9.046 1.00 0.00 O ATOM 1035 OE2 GLU A 67 4.788 -1.177 -10.453 1.00 0.00 O ATOM 0 H GLU A 67 1.737 -1.776 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 67 4.002 -3.270 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.871 -1.609 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.823 -0.362 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.899 -1.820 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.863 -2.807 -8.571 1.00 0.00 H new ATOM 1042 N ALA A 68 4.746 -0.456 -4.692 1.00 0.00 N ATOM 1043 CA ALA A 68 5.697 0.156 -3.780 1.00 0.00 C ATOM 1044 C ALA A 68 5.967 -0.797 -2.615 1.00 0.00 C ATOM 1045 O ALA A 68 7.101 -1.227 -2.409 1.00 0.00 O ATOM 1046 CB ALA A 68 5.158 1.510 -3.313 1.00 0.00 C ATOM 0 H ALA A 68 4.013 0.169 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 68 6.647 0.339 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.871 1.969 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.012 2.161 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.206 1.366 -2.802 1.00 0.00 H new ATOM 1052 N MET A 69 4.906 -1.101 -1.882 1.00 0.00 N ATOM 1053 CA MET A 69 5.014 -1.996 -0.743 1.00 0.00 C ATOM 1054 C MET A 69 5.963 -3.157 -1.046 1.00 0.00 C ATOM 1055 O MET A 69 6.902 -3.410 -0.292 1.00 0.00 O ATOM 1056 CB MET A 69 3.630 -2.547 -0.392 1.00 0.00 C ATOM 1057 CG MET A 69 3.742 -3.779 0.507 1.00 0.00 C ATOM 1058 SD MET A 69 4.545 -3.345 2.041 1.00 0.00 S ATOM 1059 CE MET A 69 3.371 -2.163 2.682 1.00 0.00 C ATOM 0 H MET A 69 3.967 -0.743 -2.055 1.00 0.00 H new ATOM 0 HA MET A 69 5.415 -1.433 0.100 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.045 -1.777 0.111 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.096 -2.807 -1.306 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.750 -4.184 0.708 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.308 -4.560 -0.001 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.536 -2.029 3.751 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.501 -1.208 2.173 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.358 -2.529 2.514 1.00 0.00 H new ATOM 1069 N LEU A 70 5.687 -3.833 -2.152 1.00 0.00 N ATOM 1070 CA LEU A 70 6.504 -4.961 -2.564 1.00 0.00 C ATOM 1071 C LEU A 70 7.962 -4.512 -2.685 1.00 0.00 C ATOM 1072 O LEU A 70 8.862 -5.164 -2.159 1.00 0.00 O ATOM 1073 CB LEU A 70 5.946 -5.589 -3.842 1.00 0.00 C ATOM 1074 CG LEU A 70 4.458 -5.943 -3.821 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.824 -5.733 -5.198 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.240 -7.365 -3.300 1.00 0.00 C ATOM 0 H LEU A 70 4.908 -3.621 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 70 6.474 -5.748 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.124 -4.901 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.512 -6.496 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 70 3.956 -5.266 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.766 -5.992 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.930 -4.689 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.324 -6.368 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.174 -7.591 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.758 -8.073 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.632 -7.445 -2.286 1.00 0.00 H new ATOM 1088 N LEU A 71 8.149 -3.400 -3.381 1.00 0.00 N ATOM 1089 CA LEU A 71 9.482 -2.855 -3.578 1.00 0.00 C ATOM 1090 C LEU A 71 10.108 -2.546 -2.217 1.00 0.00 C ATOM 1091 O LEU A 71 11.284 -2.827 -1.992 1.00 0.00 O ATOM 1092 CB LEU A 71 9.435 -1.652 -4.522 1.00 0.00 C ATOM 1093 CG LEU A 71 9.238 -1.970 -6.005 1.00 0.00 C ATOM 1094 CD1 LEU A 71 10.583 -2.049 -6.732 1.00 0.00 C ATOM 1095 CD2 LEU A 71 8.413 -3.245 -6.188 1.00 0.00 C ATOM 0 H LEU A 71 7.400 -2.861 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 71 10.125 -3.588 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.626 -0.995 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.364 -1.092 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 71 8.674 -1.154 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.415 -2.276 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.100 -1.093 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.193 -2.834 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.288 -3.448 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.928 -4.082 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.434 -3.115 -5.726 1.00 0.00 H new ATOM 1107 N GLN A 72 9.294 -1.970 -1.344 1.00 0.00 N ATOM 1108 CA GLN A 72 9.753 -1.619 -0.011 1.00 0.00 C ATOM 1109 C GLN A 72 10.050 -2.884 0.798 1.00 0.00 C ATOM 1110 O GLN A 72 10.926 -2.880 1.662 1.00 0.00 O ATOM 1111 CB GLN A 72 8.730 -0.737 0.707 1.00 0.00 C ATOM 1112 CG GLN A 72 8.064 -1.494 1.857 1.00 0.00 C ATOM 1113 CD GLN A 72 6.952 -0.658 2.493 1.00 0.00 C ATOM 1114 OE1 GLN A 72 5.773 -0.860 2.253 1.00 0.00 O ATOM 1115 NE2 GLN A 72 7.391 0.290 3.316 1.00 0.00 N ATOM 0 H GLN A 72 8.319 -1.738 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 72 10.675 -1.046 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.222 0.157 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.971 -0.404 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.652 -2.433 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.810 -1.747 2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.392 0.406 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.726 0.901 3.790 1.00 0.00 H new ATOM 1124 N LEU A 73 9.305 -3.934 0.488 1.00 0.00 N ATOM 1125 CA LEU A 73 9.478 -5.203 1.176 1.00 0.00 C ATOM 1126 C LEU A 73 10.758 -5.878 0.678 1.00 0.00 C ATOM 1127 O LEU A 73 11.443 -6.556 1.441 1.00 0.00 O ATOM 1128 CB LEU A 73 8.226 -6.070 1.024 1.00 0.00 C ATOM 1129 CG LEU A 73 6.999 -5.622 1.821 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.808 -6.545 1.558 1.00 0.00 C ATOM 1131 CD2 LEU A 73 7.324 -5.516 3.312 1.00 0.00 C ATOM 0 H LEU A 73 8.580 -3.933 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 73 9.598 -5.042 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.957 -6.103 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.475 -7.089 1.321 1.00 0.00 H new ATOM 0 HG LEU A 73 6.715 -4.626 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.949 -6.205 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.561 -6.527 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.064 -7.562 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.435 -5.196 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.647 -6.488 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.122 -4.788 3.460 1.00 0.00 H new ATOM 1143 N GLY A 74 11.041 -5.668 -0.599 1.00 0.00 N ATOM 1144 CA GLY A 74 12.226 -6.247 -1.208 1.00 0.00 C ATOM 1145 C GLY A 74 11.869 -7.484 -2.035 1.00 0.00 C ATOM 1146 O GLY A 74 12.594 -8.478 -2.016 1.00 0.00 O ATOM 0 H GLY A 74 10.470 -5.105 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.710 -5.507 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.942 -6.518 -0.432 1.00 0.00 H new ATOM 1150 N TYR A 75 10.752 -7.382 -2.740 1.00 0.00 N ATOM 1151 CA TYR A 75 10.290 -8.480 -3.572 1.00 0.00 C ATOM 1152 C TYR A 75 10.518 -8.178 -5.055 1.00 0.00 C ATOM 1153 O TYR A 75 10.421 -9.071 -5.896 1.00 0.00 O ATOM 1154 CB TYR A 75 8.787 -8.601 -3.314 1.00 0.00 C ATOM 1155 CG TYR A 75 8.436 -9.281 -1.989 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.972 -8.808 -0.808 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.583 -10.366 -1.974 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.642 -9.448 0.439 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.253 -11.005 -0.727 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.799 -10.515 0.418 1.00 0.00 C ATOM 1161 OH TYR A 75 7.487 -11.119 1.596 1.00 0.00 O ATOM 0 H TYR A 75 10.153 -6.556 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 75 10.830 -9.396 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.345 -7.605 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.333 -9.162 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.639 -7.958 -0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.163 -10.736 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.055 -9.089 1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.587 -11.855 -0.701 1.00 0.00 H new ATOM 0 HH TYR A 75 7.949 -10.663 2.330 1.00 0.00 H new ATOM 1171 N LYS A 76 10.817 -6.917 -5.330 1.00 0.00 N ATOM 1172 CA LYS A 76 11.059 -6.486 -6.696 1.00 0.00 C ATOM 1173 C LYS A 76 12.056 -5.326 -6.691 1.00 0.00 C ATOM 1174 O LYS A 76 11.858 -4.330 -7.386 1.00 0.00 O ATOM 1175 CB LYS A 76 9.739 -6.160 -7.397 1.00 0.00 C ATOM 1176 CG LYS A 76 9.366 -7.254 -8.400 1.00 0.00 C ATOM 1177 CD LYS A 76 8.637 -6.664 -9.609 1.00 0.00 C ATOM 1178 CE LYS A 76 8.440 -7.719 -10.699 1.00 0.00 C ATOM 1179 NZ LYS A 76 7.635 -7.170 -11.813 1.00 0.00 N ATOM 0 H LYS A 76 10.897 -6.180 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 76 11.510 -7.292 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.946 -6.055 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.823 -5.203 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.267 -7.771 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.732 -7.996 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.669 -6.272 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.207 -5.825 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.409 -8.050 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.943 -8.594 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.511 -7.899 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.704 -6.876 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.124 -6.349 -12.223 1.00 0.00 H new ATOM 1193 N ALA A 77 13.106 -5.492 -5.900 1.00 0.00 N ATOM 1194 CA ALA A 77 14.134 -4.471 -5.795 1.00 0.00 C ATOM 1195 C ALA A 77 15.258 -4.781 -6.785 1.00 0.00 C ATOM 1196 O ALA A 77 15.785 -3.880 -7.434 1.00 0.00 O ATOM 1197 CB ALA A 77 14.633 -4.394 -4.351 1.00 0.00 C ATOM 0 H ALA A 77 13.267 -6.319 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 77 13.729 -3.492 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.404 -3.628 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.802 -4.141 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.048 -5.358 -4.058 1.00 0.00 H new ATOM 1203 N SER A 78 15.592 -6.061 -6.869 1.00 0.00 N ATOM 1204 CA SER A 78 16.645 -6.502 -7.768 1.00 0.00 C ATOM 1205 C SER A 78 16.187 -6.354 -9.221 1.00 0.00 C ATOM 1206 O SER A 78 16.727 -5.537 -9.965 1.00 0.00 O ATOM 1207 CB SER A 78 17.042 -7.951 -7.482 1.00 0.00 C ATOM 1208 OG SER A 78 18.122 -8.381 -8.306 1.00 0.00 O ATOM 0 H SER A 78 15.152 -6.806 -6.329 1.00 0.00 H new ATOM 0 HA SER A 78 17.521 -5.875 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.324 -8.049 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.182 -8.601 -7.643 1.00 0.00 H new ATOM 0 HG SER A 78 18.347 -9.311 -8.092 1.00 0.00 H new ATOM 1214 N THR A 79 15.197 -7.157 -9.581 1.00 0.00 N ATOM 1215 CA THR A 79 14.661 -7.126 -10.931 1.00 0.00 C ATOM 1216 C THR A 79 14.350 -5.687 -11.348 1.00 0.00 C ATOM 1217 O THR A 79 14.456 -5.341 -12.524 1.00 0.00 O ATOM 1218 CB THR A 79 13.441 -8.049 -10.977 1.00 0.00 C ATOM 1219 OG1 THR A 79 13.140 -8.157 -12.366 1.00 0.00 O ATOM 1220 CG2 THR A 79 12.193 -7.401 -10.374 1.00 0.00 C ATOM 0 H THR A 79 14.752 -7.833 -8.961 1.00 0.00 H new ATOM 0 HA THR A 79 15.390 -7.491 -11.654 1.00 0.00 H new ATOM 0 HB THR A 79 13.664 -8.972 -10.443 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.362 -8.740 -12.488 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.357 -8.098 -10.432 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.383 -7.148 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.949 -6.495 -10.929 1.00 0.00 H new ATOM 1228 N SER A 80 13.972 -4.887 -10.362 1.00 0.00 N ATOM 1229 CA SER A 80 13.645 -3.494 -10.612 1.00 0.00 C ATOM 1230 C SER A 80 14.909 -2.719 -10.989 1.00 0.00 C ATOM 1231 O SER A 80 15.017 -2.203 -12.101 1.00 0.00 O ATOM 1232 CB SER A 80 12.977 -2.857 -9.391 1.00 0.00 C ATOM 1233 OG SER A 80 13.067 -1.435 -9.414 1.00 0.00 O ATOM 0 H SER A 80 13.885 -5.177 -9.388 1.00 0.00 H new ATOM 0 HA SER A 80 12.940 -3.452 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.929 -3.153 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.446 -3.235 -8.483 1.00 0.00 H new ATOM 0 HG SER A 80 12.628 -1.067 -8.619 1.00 0.00 H new ATOM 1239 N LEU A 81 15.835 -2.662 -10.043 1.00 0.00 N ATOM 1240 CA LEU A 81 17.087 -1.959 -10.262 1.00 0.00 C ATOM 1241 C LEU A 81 17.581 -2.238 -11.683 1.00 0.00 C ATOM 1242 O LEU A 81 18.217 -1.386 -12.301 1.00 0.00 O ATOM 1243 CB LEU A 81 18.102 -2.321 -9.176 1.00 0.00 C ATOM 1244 CG LEU A 81 18.736 -1.144 -8.432 1.00 0.00 C ATOM 1245 CD1 LEU A 81 17.817 -0.641 -7.316 1.00 0.00 C ATOM 1246 CD2 LEU A 81 20.126 -1.511 -7.907 1.00 0.00 C ATOM 0 H LEU A 81 15.743 -3.092 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 81 16.939 -0.882 -10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.610 -2.964 -8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.899 -2.908 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 81 18.864 -0.324 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.292 0.196 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.870 -0.314 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.634 -1.446 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.554 -0.657 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.045 -2.355 -7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.770 -1.783 -8.743 1.00 0.00 H new ATOM 1258 N GLN A 82 17.270 -3.435 -12.159 1.00 0.00 N ATOM 1259 CA GLN A 82 17.675 -3.837 -13.496 1.00 0.00 C ATOM 1260 C GLN A 82 17.239 -2.787 -14.520 1.00 0.00 C ATOM 1261 O GLN A 82 18.076 -2.148 -15.154 1.00 0.00 O ATOM 1262 CB GLN A 82 17.111 -5.215 -13.848 1.00 0.00 C ATOM 1263 CG GLN A 82 18.190 -6.106 -14.467 1.00 0.00 C ATOM 1264 CD GLN A 82 17.947 -7.578 -14.125 1.00 0.00 C ATOM 1265 OE1 GLN A 82 16.899 -7.963 -13.635 1.00 0.00 O ATOM 1266 NE2 GLN A 82 18.973 -8.375 -14.410 1.00 0.00 N ATOM 0 H GLN A 82 16.743 -4.139 -11.643 1.00 0.00 H new ATOM 0 HA GLN A 82 18.762 -3.909 -13.520 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.713 -5.689 -12.951 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.281 -5.105 -14.545 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.197 -5.977 -15.549 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.171 -5.801 -14.103 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.822 -7.986 -14.820 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.910 -9.375 -14.219 1.00 0.00 H new ATOM 1275 N ASP A 83 15.928 -2.643 -14.651 1.00 0.00 N ATOM 1276 CA ASP A 83 15.370 -1.682 -15.588 1.00 0.00 C ATOM 1277 C ASP A 83 15.078 -0.372 -14.854 1.00 0.00 C ATOM 1278 O ASP A 83 15.543 0.690 -15.264 1.00 0.00 O ATOM 1279 CB ASP A 83 14.058 -2.194 -16.185 1.00 0.00 C ATOM 1280 CG ASP A 83 13.790 -1.758 -17.627 1.00 0.00 C ATOM 1281 OD1 ASP A 83 14.771 -1.727 -18.401 1.00 0.00 O ATOM 1282 OD2 ASP A 83 12.612 -1.465 -17.922 1.00 0.00 O ATOM 0 H ASP A 83 15.236 -3.176 -14.124 1.00 0.00 H new ATOM 0 HA ASP A 83 16.094 -1.530 -16.388 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.059 -3.283 -16.145 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.234 -1.852 -15.559 1.00 0.00 H new ATOM 1287 N SER A 84 14.308 -0.490 -13.782 1.00 0.00 N ATOM 1288 CA SER A 84 13.948 0.672 -12.987 1.00 0.00 C ATOM 1289 C SER A 84 15.209 1.429 -12.566 1.00 0.00 C ATOM 1290 O SER A 84 15.282 2.648 -12.709 1.00 0.00 O ATOM 1291 CB SER A 84 13.135 0.266 -11.756 1.00 0.00 C ATOM 1292 OG SER A 84 11.893 0.961 -11.684 1.00 0.00 O ATOM 0 H SER A 84 13.923 -1.373 -13.445 1.00 0.00 H new ATOM 0 HA SER A 84 13.327 1.327 -13.599 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.949 -0.808 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.716 0.467 -10.856 1.00 0.00 H new ATOM 0 HG SER A 84 11.403 0.673 -10.886 1.00 0.00 H new ATOM 1298 N GLY A 85 16.170 0.674 -12.053 1.00 0.00 N ATOM 1299 CA GLY A 85 17.424 1.259 -11.610 1.00 0.00 C ATOM 1300 C GLY A 85 18.199 1.853 -12.788 1.00 0.00 C ATOM 1301 O GLY A 85 17.786 1.718 -13.938 1.00 0.00 O ATOM 0 H GLY A 85 16.105 -0.337 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.226 2.036 -10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.030 0.499 -11.118 1.00 0.00 H new ATOM 1305 N PRO A 86 19.338 2.515 -12.451 1.00 0.00 N ATOM 1306 CA PRO A 86 20.174 3.131 -13.467 1.00 0.00 C ATOM 1307 C PRO A 86 20.973 2.074 -14.233 1.00 0.00 C ATOM 1308 O PRO A 86 20.917 0.890 -13.905 1.00 0.00 O ATOM 1309 CB PRO A 86 21.057 4.110 -12.710 1.00 0.00 C ATOM 1310 CG PRO A 86 21.009 3.675 -11.254 1.00 0.00 C ATOM 1311 CD PRO A 86 19.858 2.695 -11.098 1.00 0.00 C ATOM 0 HA PRO A 86 19.595 3.648 -14.232 1.00 0.00 H new ATOM 0 HB2 PRO A 86 22.078 4.089 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 86 20.695 5.132 -12.825 1.00 0.00 H new ATOM 0 HG2 PRO A 86 21.950 3.208 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 86 20.867 4.537 -10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 86 20.198 1.749 -10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 86 19.092 3.087 -10.428 1.00 0.00 H new ATOM 1319 N SER A 87 21.699 2.541 -15.238 1.00 0.00 N ATOM 1320 CA SER A 87 22.508 1.652 -16.053 1.00 0.00 C ATOM 1321 C SER A 87 23.652 1.073 -15.218 1.00 0.00 C ATOM 1322 O SER A 87 23.759 -0.143 -15.065 1.00 0.00 O ATOM 1323 CB SER A 87 23.063 2.380 -17.280 1.00 0.00 C ATOM 1324 OG SER A 87 23.553 1.473 -18.263 1.00 0.00 O ATOM 0 H SER A 87 21.744 3.524 -15.506 1.00 0.00 H new ATOM 0 HA SER A 87 21.873 0.838 -16.403 1.00 0.00 H new ATOM 0 HB2 SER A 87 22.281 3.001 -17.717 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.866 3.049 -16.972 1.00 0.00 H new ATOM 0 HG SER A 87 23.897 1.977 -19.030 1.00 0.00 H new ATOM 1330 N SER A 88 24.478 1.970 -14.701 1.00 0.00 N ATOM 1331 CA SER A 88 25.609 1.564 -13.885 1.00 0.00 C ATOM 1332 C SER A 88 26.560 0.691 -14.707 1.00 0.00 C ATOM 1333 O SER A 88 26.351 -0.515 -14.830 1.00 0.00 O ATOM 1334 CB SER A 88 25.146 0.812 -12.635 1.00 0.00 C ATOM 1335 OG SER A 88 26.036 1.000 -11.539 1.00 0.00 O ATOM 0 H SER A 88 24.386 2.977 -14.832 1.00 0.00 H new ATOM 0 HA SER A 88 26.136 2.461 -13.561 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.149 1.153 -12.355 1.00 0.00 H new ATOM 0 HB3 SER A 88 25.068 -0.252 -12.860 1.00 0.00 H new ATOM 0 HG SER A 88 25.705 0.506 -10.760 1.00 0.00 H new ATOM 1341 N GLY A 89 27.584 1.335 -15.248 1.00 0.00 N ATOM 1342 CA GLY A 89 28.568 0.632 -16.055 1.00 0.00 C ATOM 1343 C GLY A 89 28.763 1.323 -17.406 1.00 0.00 C ATOM 1344 O GLY A 89 29.864 1.322 -17.955 1.00 0.00 O ATOM 0 H GLY A 89 27.754 2.335 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 89 29.518 0.591 -15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 89 28.246 -0.398 -16.212 1.00 0.00 H new TER 1348 GLY A 89