USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 746 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 72 ASN : amide:sc= -1.51 K(o=-2.1,f=-3!) USER MOD Set 1.2: A 82 THR OG1 : rot -100:sc= -0.58 USER MOD Set 2.1: A 59 THR OG1 : rot -83:sc= 1.55 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= -2.54! USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0.00208 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.0601 K(o=-0.058,f=-2.2!) USER MOD Set 4.1: A 3 GLN :FLIP amide:sc= 0.369 F(o=-0.0032,f=0.82) USER MOD Set 4.2: A 49 THR OG1 : rot -99:sc= 0.453 USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.297) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.07 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -116:sc= -1.71 (180deg=-7.82!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -43:sc= -0.15 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0804 USER MOD Single : A 19 ASN : amide:sc= -2.71! C(o=-2.7!,f=-6.7!) USER MOD Single : A 20 ASN : amide:sc=-0.00667 X(o=-0.0067,f=0) USER MOD Single : A 25 MET CE :methyl 169:sc= 0 (180deg=-0.523) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=0.012) USER MOD Single : A 30 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.086) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.169 (180deg=-0.733) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.51) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0.503 (180deg=0.474) USER MOD Single : A 69 ASN : amide:sc= -1.36 K(o=-1.4,f=-5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 131:sc= -0.619 (180deg=-0.871) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 67:sc= 0.333 USER MOD Single : A 91 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.1!) USER MOD Single : A 92 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00232) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.008 0.750 0.393 1.00 43.40 N ATOM 2 CA MET A 1 2.273 0.271 -0.959 1.00 14.42 C ATOM 3 C MET A 1 3.061 -1.034 -0.929 1.00 34.34 C ATOM 4 O MET A 1 3.645 -1.395 0.093 1.00 30.42 O ATOM 5 CB MET A 1 3.042 1.327 -1.756 1.00 20.34 C ATOM 6 CG MET A 1 2.760 1.286 -3.249 1.00 14.44 C ATOM 7 SD MET A 1 3.012 2.884 -4.047 1.00 33.54 S ATOM 8 CE MET A 1 4.799 2.996 -4.022 1.00 21.12 C ATOM 0 H1 MET A 1 0.981 0.781 0.555 1.00 43.40 H new ATOM 0 H2 MET A 1 2.448 0.107 1.082 1.00 43.40 H new ATOM 0 H3 MET A 1 2.405 1.704 0.507 1.00 43.40 H new ATOM 0 HA MET A 1 1.316 0.085 -1.446 1.00 14.42 H new ATOM 0 HB2 MET A 1 2.788 2.316 -1.374 1.00 20.34 H new ATOM 0 HB3 MET A 1 4.111 1.187 -1.592 1.00 20.34 H new ATOM 0 HG2 MET A 1 3.407 0.544 -3.717 1.00 14.44 H new ATOM 0 HG3 MET A 1 1.733 0.961 -3.412 1.00 14.44 H new ATOM 0 HE1 MET A 1 5.133 3.666 -4.815 1.00 21.12 H new ATOM 0 HE2 MET A 1 5.126 3.384 -3.057 1.00 21.12 H new ATOM 0 HE3 MET A 1 5.228 2.006 -4.179 1.00 21.12 H new ATOM 18 N LYS A 2 3.073 -1.739 -2.055 1.00 35.22 N ATOM 19 CA LYS A 2 3.789 -3.005 -2.158 1.00 44.35 C ATOM 20 C LYS A 2 4.820 -2.956 -3.282 1.00 4.44 C ATOM 21 O LYS A 2 4.582 -3.463 -4.377 1.00 32.20 O ATOM 22 CB LYS A 2 2.807 -4.152 -2.403 1.00 61.33 C ATOM 23 CG LYS A 2 2.370 -4.861 -1.133 1.00 4.33 C ATOM 24 CD LYS A 2 3.521 -5.620 -0.494 1.00 21.11 C ATOM 25 CE LYS A 2 4.034 -6.725 -1.405 1.00 34.01 C ATOM 26 NZ LYS A 2 5.265 -6.315 -2.136 1.00 32.25 N ATOM 0 H LYS A 2 2.595 -1.455 -2.910 1.00 35.22 H new ATOM 0 HA LYS A 2 4.310 -3.177 -1.216 1.00 44.35 H new ATOM 0 HB2 LYS A 2 1.926 -3.762 -2.913 1.00 61.33 H new ATOM 0 HB3 LYS A 2 3.268 -4.877 -3.073 1.00 61.33 H new ATOM 0 HG2 LYS A 2 1.976 -4.132 -0.425 1.00 4.33 H new ATOM 0 HG3 LYS A 2 1.559 -5.553 -1.362 1.00 4.33 H new ATOM 0 HD2 LYS A 2 4.332 -4.929 -0.266 1.00 21.11 H new ATOM 0 HD3 LYS A 2 3.194 -6.050 0.453 1.00 21.11 H new ATOM 0 HE2 LYS A 2 4.243 -7.616 -0.813 1.00 34.01 H new ATOM 0 HE3 LYS A 2 3.258 -6.994 -2.122 1.00 34.01 H new ATOM 0 HZ1 LYS A 2 5.070 -6.290 -3.157 1.00 32.25 H new ATOM 0 HZ2 LYS A 2 5.560 -5.370 -1.817 1.00 32.25 H new ATOM 0 HZ3 LYS A 2 6.026 -6.998 -1.945 1.00 32.25 H new ATOM 40 N GLN A 3 5.966 -2.343 -3.001 1.00 11.02 N ATOM 41 CA GLN A 3 7.033 -2.229 -3.988 1.00 72.32 C ATOM 42 C GLN A 3 7.469 -3.606 -4.479 1.00 51.33 C ATOM 43 O GLN A 3 7.863 -4.463 -3.688 1.00 13.40 O ATOM 44 CB GLN A 3 8.229 -1.484 -3.394 1.00 22.12 C ATOM 45 CG GLN A 3 9.216 -0.987 -4.438 1.00 10.22 C ATOM 46 CD GLN A 3 10.189 0.034 -3.882 1.00 23.34 C ATOM 47 OE1 GLN A 3 11.480 -0.250 -4.006 1.00 64.12 O flip ATOM 48 NE2 GLN A 3 9.785 1.066 -3.345 1.00 45.04 N flip ATOM 0 H GLN A 3 6.179 -1.918 -2.098 1.00 11.02 H new ATOM 0 HA GLN A 3 6.649 -1.665 -4.838 1.00 72.32 H new ATOM 0 HB2 GLN A 3 7.866 -0.634 -2.815 1.00 22.12 H new ATOM 0 HB3 GLN A 3 8.749 -2.144 -2.700 1.00 22.12 H new ATOM 0 HG2 GLN A 3 9.773 -1.834 -4.838 1.00 10.22 H new ATOM 0 HG3 GLN A 3 8.667 -0.545 -5.270 1.00 10.22 H new ATOM 0 HE21 GLN A 3 8.783 1.244 -3.271 1.00 45.04 H new ATOM 0 HE22 GLN A 3 10.452 1.743 -2.974 1.00 45.04 H new ATOM 57 N VAL A 4 7.396 -3.811 -5.791 1.00 32.34 N ATOM 58 CA VAL A 4 7.784 -5.084 -6.388 1.00 13.43 C ATOM 59 C VAL A 4 8.723 -4.872 -7.569 1.00 63.25 C ATOM 60 O VAL A 4 8.475 -4.027 -8.431 1.00 21.51 O ATOM 61 CB VAL A 4 6.553 -5.880 -6.861 1.00 21.15 C ATOM 62 CG1 VAL A 4 6.979 -7.202 -7.481 1.00 35.22 C ATOM 63 CG2 VAL A 4 5.591 -6.109 -5.705 1.00 31.13 C ATOM 0 H VAL A 4 7.072 -3.112 -6.460 1.00 32.34 H new ATOM 0 HA VAL A 4 8.300 -5.653 -5.615 1.00 13.43 H new ATOM 0 HB VAL A 4 6.036 -5.298 -7.624 1.00 21.15 H new ATOM 0 HG11 VAL A 4 6.096 -7.751 -7.809 1.00 35.22 H new ATOM 0 HG12 VAL A 4 7.627 -7.011 -8.337 1.00 35.22 H new ATOM 0 HG13 VAL A 4 7.520 -7.793 -6.742 1.00 35.22 H new ATOM 0 HG21 VAL A 4 4.727 -6.673 -6.057 1.00 31.13 H new ATOM 0 HG22 VAL A 4 6.095 -6.670 -4.918 1.00 31.13 H new ATOM 0 HG23 VAL A 4 5.261 -5.148 -5.310 1.00 31.13 H new ATOM 73 N LEU A 5 9.803 -5.645 -7.605 1.00 22.00 N ATOM 74 CA LEU A 5 10.782 -5.543 -8.682 1.00 74.53 C ATOM 75 C LEU A 5 10.418 -6.471 -9.837 1.00 52.24 C ATOM 76 O LEU A 5 9.461 -7.240 -9.752 1.00 33.41 O ATOM 77 CB LEU A 5 12.180 -5.883 -8.162 1.00 15.41 C ATOM 78 CG LEU A 5 12.798 -4.874 -7.193 1.00 61.04 C ATOM 79 CD1 LEU A 5 14.210 -5.294 -6.815 1.00 32.23 C ATOM 80 CD2 LEU A 5 12.800 -3.480 -7.804 1.00 63.22 C ATOM 0 H LEU A 5 10.023 -6.349 -6.901 1.00 22.00 H new ATOM 0 HA LEU A 5 10.777 -4.516 -9.048 1.00 74.53 H new ATOM 0 HB2 LEU A 5 12.136 -6.853 -7.666 1.00 15.41 H new ATOM 0 HB3 LEU A 5 12.848 -5.992 -9.017 1.00 15.41 H new ATOM 0 HG LEU A 5 12.192 -4.851 -6.287 1.00 61.04 H new ATOM 0 HD11 LEU A 5 14.634 -4.565 -6.125 1.00 32.23 H new ATOM 0 HD12 LEU A 5 14.183 -6.273 -6.336 1.00 32.23 H new ATOM 0 HD13 LEU A 5 14.827 -5.346 -7.712 1.00 32.23 H new ATOM 0 HD21 LEU A 5 13.243 -2.775 -7.101 1.00 63.22 H new ATOM 0 HD22 LEU A 5 13.382 -3.488 -8.726 1.00 63.22 H new ATOM 0 HD23 LEU A 5 11.776 -3.178 -8.024 1.00 63.22 H new ATOM 92 N VAL A 6 11.189 -6.394 -10.917 1.00 43.42 N ATOM 93 CA VAL A 6 10.951 -7.228 -12.089 1.00 33.14 C ATOM 94 C VAL A 6 12.251 -7.521 -12.829 1.00 52.20 C ATOM 95 O VAL A 6 12.628 -6.799 -13.751 1.00 51.52 O ATOM 96 CB VAL A 6 9.958 -6.561 -13.060 1.00 25.51 C ATOM 97 CG1 VAL A 6 9.750 -7.431 -14.291 1.00 12.15 C ATOM 98 CG2 VAL A 6 8.635 -6.284 -12.362 1.00 64.33 C ATOM 0 H VAL A 6 11.985 -5.762 -11.005 1.00 43.42 H new ATOM 0 HA VAL A 6 10.523 -8.164 -11.730 1.00 33.14 H new ATOM 0 HB VAL A 6 10.377 -5.608 -13.384 1.00 25.51 H new ATOM 0 HG11 VAL A 6 9.046 -6.944 -14.966 1.00 12.15 H new ATOM 0 HG12 VAL A 6 10.703 -7.573 -14.801 1.00 12.15 H new ATOM 0 HG13 VAL A 6 9.352 -8.400 -13.989 1.00 12.15 H new ATOM 0 HG21 VAL A 6 7.946 -5.813 -13.063 1.00 64.33 H new ATOM 0 HG22 VAL A 6 8.207 -7.222 -12.007 1.00 64.33 H new ATOM 0 HG23 VAL A 6 8.803 -5.619 -11.515 1.00 64.33 H new ATOM 108 N ALA A 7 12.932 -8.586 -12.419 1.00 2.52 N ATOM 109 CA ALA A 7 14.189 -8.976 -13.045 1.00 3.32 C ATOM 110 C ALA A 7 13.993 -10.171 -13.972 1.00 4.34 C ATOM 111 O ALA A 7 12.894 -10.718 -14.071 1.00 4.23 O ATOM 112 CB ALA A 7 15.231 -9.294 -11.983 1.00 22.33 C ATOM 0 H ALA A 7 12.634 -9.194 -11.656 1.00 2.52 H new ATOM 0 HA ALA A 7 14.543 -8.138 -13.646 1.00 3.32 H new ATOM 0 HB1 ALA A 7 16.165 -9.584 -12.465 1.00 22.33 H new ATOM 0 HB2 ALA A 7 15.400 -8.413 -11.364 1.00 22.33 H new ATOM 0 HB3 ALA A 7 14.875 -10.113 -11.358 1.00 22.33 H new ATOM 118 N CYS A 8 15.064 -10.570 -14.648 1.00 63.25 N ATOM 119 CA CYS A 8 15.009 -11.700 -15.569 1.00 63.21 C ATOM 120 C CYS A 8 16.410 -12.111 -16.010 1.00 44.11 C ATOM 121 O CYS A 8 17.374 -11.371 -15.820 1.00 2.54 O ATOM 122 CB CYS A 8 14.159 -11.348 -16.791 1.00 25.50 C ATOM 123 SG CYS A 8 14.816 -9.983 -17.778 1.00 71.55 S ATOM 0 H CYS A 8 15.981 -10.128 -14.576 1.00 63.25 H new ATOM 0 HA CYS A 8 14.551 -12.540 -15.047 1.00 63.21 H new ATOM 0 HB2 CYS A 8 14.070 -12.230 -17.425 1.00 25.50 H new ATOM 0 HB3 CYS A 8 13.153 -11.091 -16.459 1.00 25.50 H new ATOM 0 HG CYS A 8 14.030 -9.761 -18.790 1.00 71.55 H new ATOM 129 N GLY A 9 16.516 -13.298 -16.600 1.00 34.13 N ATOM 130 CA GLY A 9 17.803 -13.788 -17.057 1.00 10.22 C ATOM 131 C GLY A 9 17.681 -15.047 -17.892 1.00 40.55 C ATOM 132 O GLY A 9 18.366 -16.037 -17.638 1.00 74.13 O ATOM 0 H GLY A 9 15.733 -13.929 -16.770 1.00 34.13 H new ATOM 0 HA2 GLY A 9 18.296 -13.013 -17.644 1.00 10.22 H new ATOM 0 HA3 GLY A 9 18.439 -13.988 -16.195 1.00 10.22 H new ATOM 136 N ALA A 10 16.806 -15.009 -18.892 1.00 34.03 N ATOM 137 CA ALA A 10 16.596 -16.155 -19.767 1.00 64.35 C ATOM 138 C ALA A 10 16.956 -15.817 -21.210 1.00 53.42 C ATOM 139 O ALA A 10 16.309 -16.283 -22.147 1.00 53.41 O ATOM 140 CB ALA A 10 15.154 -16.631 -19.679 1.00 30.25 C ATOM 0 H ALA A 10 16.231 -14.197 -19.116 1.00 34.03 H new ATOM 0 HA ALA A 10 17.253 -16.959 -19.434 1.00 64.35 H new ATOM 0 HB1 ALA A 10 15.013 -17.487 -20.338 1.00 30.25 H new ATOM 0 HB2 ALA A 10 14.929 -16.922 -18.653 1.00 30.25 H new ATOM 0 HB3 ALA A 10 14.486 -15.825 -19.983 1.00 30.25 H new ATOM 146 N GLY A 11 17.992 -15.001 -21.382 1.00 30.24 N ATOM 147 CA GLY A 11 18.418 -14.613 -22.713 1.00 64.55 C ATOM 148 C GLY A 11 17.289 -14.025 -23.536 1.00 30.14 C ATOM 149 O GLY A 11 17.215 -14.243 -24.745 1.00 54.53 O ATOM 0 H GLY A 11 18.544 -14.602 -20.622 1.00 30.24 H new ATOM 0 HA2 GLY A 11 19.224 -13.884 -22.635 1.00 64.55 H new ATOM 0 HA3 GLY A 11 18.824 -15.483 -23.229 1.00 64.55 H new ATOM 153 N ILE A 12 16.407 -13.280 -22.878 1.00 40.33 N ATOM 154 CA ILE A 12 15.276 -12.659 -23.557 1.00 31.24 C ATOM 155 C ILE A 12 15.577 -11.207 -23.912 1.00 31.14 C ATOM 156 O ILE A 12 16.328 -10.529 -23.211 1.00 61.23 O ATOM 157 CB ILE A 12 14.003 -12.711 -22.691 1.00 70.12 C ATOM 158 CG1 ILE A 12 12.767 -12.425 -23.546 1.00 73.11 C ATOM 159 CG2 ILE A 12 14.102 -11.717 -21.544 1.00 12.12 C ATOM 160 CD1 ILE A 12 12.525 -13.459 -24.624 1.00 0.32 C ATOM 0 H ILE A 12 16.454 -13.092 -21.877 1.00 40.33 H new ATOM 0 HA ILE A 12 15.107 -13.226 -24.472 1.00 31.24 H new ATOM 0 HB ILE A 12 13.907 -13.712 -22.271 1.00 70.12 H new ATOM 0 HG12 ILE A 12 11.891 -12.375 -22.899 1.00 73.11 H new ATOM 0 HG13 ILE A 12 12.876 -11.445 -24.011 1.00 73.11 H new ATOM 0 HG21 ILE A 12 13.195 -11.766 -20.941 1.00 12.12 H new ATOM 0 HG22 ILE A 12 14.964 -11.962 -20.923 1.00 12.12 H new ATOM 0 HG23 ILE A 12 14.218 -10.710 -21.944 1.00 12.12 H new ATOM 0 HD11 ILE A 12 11.633 -13.192 -25.191 1.00 0.32 H new ATOM 0 HD12 ILE A 12 13.384 -13.494 -25.294 1.00 0.32 H new ATOM 0 HD13 ILE A 12 12.384 -14.437 -24.165 1.00 0.32 H new ATOM 172 N ALA A 13 14.984 -10.735 -25.003 1.00 73.44 N ATOM 173 CA ALA A 13 15.185 -9.362 -25.450 1.00 21.45 C ATOM 174 C ALA A 13 14.950 -8.375 -24.311 1.00 64.31 C ATOM 175 O ALA A 13 15.845 -7.615 -23.939 1.00 63.34 O ATOM 176 CB ALA A 13 14.266 -9.048 -26.621 1.00 65.10 C ATOM 0 H ALA A 13 14.360 -11.284 -25.594 1.00 73.44 H new ATOM 0 HA ALA A 13 16.220 -9.260 -25.777 1.00 21.45 H new ATOM 0 HB1 ALA A 13 14.427 -8.020 -26.944 1.00 65.10 H new ATOM 0 HB2 ALA A 13 14.484 -9.726 -27.446 1.00 65.10 H new ATOM 0 HB3 ALA A 13 13.228 -9.173 -26.313 1.00 65.10 H new ATOM 182 N THR A 14 13.740 -8.391 -23.760 1.00 44.34 N ATOM 183 CA THR A 14 13.388 -7.496 -22.666 1.00 15.23 C ATOM 184 C THR A 14 12.182 -8.020 -21.893 1.00 65.44 C ATOM 185 O THR A 14 11.445 -8.877 -22.382 1.00 2.25 O ATOM 186 CB THR A 14 13.077 -6.077 -23.178 1.00 15.20 C ATOM 187 OG1 THR A 14 13.910 -5.768 -24.300 1.00 43.53 O ATOM 188 CG2 THR A 14 13.292 -5.046 -22.080 1.00 40.13 C ATOM 0 H THR A 14 12.988 -9.014 -24.054 1.00 44.34 H new ATOM 0 HA THR A 14 14.252 -7.454 -22.003 1.00 15.23 H new ATOM 0 HB THR A 14 12.031 -6.046 -23.483 1.00 15.20 H new ATOM 0 HG1 THR A 14 14.825 -6.068 -24.120 1.00 43.53 H new ATOM 0 HG21 THR A 14 13.066 -4.052 -22.465 1.00 40.13 H new ATOM 0 HG22 THR A 14 12.635 -5.267 -21.239 1.00 40.13 H new ATOM 0 HG23 THR A 14 14.330 -5.079 -21.748 1.00 40.13 H new ATOM 196 N SER A 15 11.987 -7.501 -20.686 1.00 5.34 N ATOM 197 CA SER A 15 10.873 -7.920 -19.844 1.00 54.51 C ATOM 198 C SER A 15 9.714 -6.932 -19.946 1.00 3.33 C ATOM 199 O SER A 15 9.089 -6.583 -18.943 1.00 65.13 O ATOM 200 CB SER A 15 11.324 -8.045 -18.388 1.00 23.21 C ATOM 201 OG SER A 15 12.063 -6.906 -17.983 1.00 1.21 O ATOM 0 H SER A 15 12.586 -6.789 -20.269 1.00 5.34 H new ATOM 0 HA SER A 15 10.531 -8.894 -20.195 1.00 54.51 H new ATOM 0 HB2 SER A 15 10.453 -8.165 -17.743 1.00 23.21 H new ATOM 0 HB3 SER A 15 11.935 -8.940 -18.269 1.00 23.21 H new ATOM 0 HG SER A 15 12.338 -7.010 -17.048 1.00 1.21 H new ATOM 207 N THR A 16 9.433 -6.483 -21.165 1.00 54.01 N ATOM 208 CA THR A 16 8.351 -5.535 -21.400 1.00 1.44 C ATOM 209 C THR A 16 6.992 -6.222 -21.331 1.00 64.31 C ATOM 210 O THR A 16 6.072 -5.737 -20.672 1.00 64.50 O ATOM 211 CB THR A 16 8.496 -4.845 -22.769 1.00 41.50 C ATOM 212 OG1 THR A 16 9.740 -5.215 -23.375 1.00 14.31 O ATOM 213 CG2 THR A 16 8.428 -3.332 -22.623 1.00 11.13 C ATOM 0 H THR A 16 9.940 -6.761 -22.005 1.00 54.01 H new ATOM 0 HA THR A 16 8.414 -4.783 -20.614 1.00 1.44 H new ATOM 0 HB THR A 16 7.672 -5.170 -23.404 1.00 41.50 H new ATOM 0 HG1 THR A 16 9.824 -4.773 -24.246 1.00 14.31 H new ATOM 0 HG21 THR A 16 8.533 -2.867 -23.603 1.00 11.13 H new ATOM 0 HG22 THR A 16 7.469 -3.051 -22.189 1.00 11.13 H new ATOM 0 HG23 THR A 16 9.234 -2.993 -21.972 1.00 11.13 H new ATOM 221 N VAL A 17 6.872 -7.355 -22.016 1.00 25.43 N ATOM 222 CA VAL A 17 5.626 -8.111 -22.031 1.00 33.22 C ATOM 223 C VAL A 17 5.125 -8.374 -20.615 1.00 64.50 C ATOM 224 O VAL A 17 3.949 -8.175 -20.314 1.00 35.13 O ATOM 225 CB VAL A 17 5.794 -9.456 -22.763 1.00 34.14 C ATOM 226 CG1 VAL A 17 4.497 -10.250 -22.725 1.00 54.25 C ATOM 227 CG2 VAL A 17 6.248 -9.229 -24.196 1.00 44.24 C ATOM 0 H VAL A 17 7.623 -7.769 -22.568 1.00 25.43 H new ATOM 0 HA VAL A 17 4.894 -7.504 -22.565 1.00 33.22 H new ATOM 0 HB VAL A 17 6.562 -10.036 -22.251 1.00 34.14 H new ATOM 0 HG11 VAL A 17 4.635 -11.197 -23.247 1.00 54.25 H new ATOM 0 HG12 VAL A 17 4.219 -10.444 -21.689 1.00 54.25 H new ATOM 0 HG13 VAL A 17 3.706 -9.679 -23.212 1.00 54.25 H new ATOM 0 HG21 VAL A 17 6.362 -10.190 -24.698 1.00 44.24 H new ATOM 0 HG22 VAL A 17 5.505 -8.630 -24.722 1.00 44.24 H new ATOM 0 HG23 VAL A 17 7.203 -8.704 -24.196 1.00 44.24 H new ATOM 237 N VAL A 18 6.028 -8.823 -19.748 1.00 72.43 N ATOM 238 CA VAL A 18 5.679 -9.113 -18.363 1.00 11.15 C ATOM 239 C VAL A 18 5.015 -7.911 -17.700 1.00 43.33 C ATOM 240 O VAL A 18 3.827 -7.942 -17.382 1.00 4.10 O ATOM 241 CB VAL A 18 6.920 -9.516 -17.544 1.00 33.12 C ATOM 242 CG1 VAL A 18 6.525 -9.883 -16.122 1.00 31.54 C ATOM 243 CG2 VAL A 18 7.651 -10.668 -18.217 1.00 53.44 C ATOM 0 H VAL A 18 7.006 -8.994 -19.981 1.00 72.43 H new ATOM 0 HA VAL A 18 4.978 -9.947 -18.382 1.00 11.15 H new ATOM 0 HB VAL A 18 7.597 -8.663 -17.499 1.00 33.12 H new ATOM 0 HG11 VAL A 18 7.414 -10.165 -15.559 1.00 31.54 H new ATOM 0 HG12 VAL A 18 6.049 -9.027 -15.644 1.00 31.54 H new ATOM 0 HG13 VAL A 18 5.828 -10.721 -16.143 1.00 31.54 H new ATOM 0 HG21 VAL A 18 8.525 -10.940 -17.625 1.00 53.44 H new ATOM 0 HG22 VAL A 18 6.984 -11.527 -18.294 1.00 53.44 H new ATOM 0 HG23 VAL A 18 7.969 -10.364 -19.214 1.00 53.44 H new ATOM 253 N ASN A 19 5.791 -6.851 -17.496 1.00 64.21 N ATOM 254 CA ASN A 19 5.279 -5.637 -16.871 1.00 72.23 C ATOM 255 C ASN A 19 4.010 -5.159 -17.571 1.00 31.51 C ATOM 256 O ASN A 19 3.062 -4.717 -16.924 1.00 51.51 O ATOM 257 CB ASN A 19 6.339 -4.535 -16.905 1.00 1.32 C ATOM 258 CG ASN A 19 5.798 -3.198 -16.436 1.00 1.13 C ATOM 259 OD1 ASN A 19 5.675 -2.952 -15.236 1.00 4.13 O ATOM 260 ND2 ASN A 19 5.471 -2.327 -17.383 1.00 43.32 N ATOM 0 H ASN A 19 6.777 -6.808 -17.755 1.00 64.21 H new ATOM 0 HA ASN A 19 5.036 -5.867 -15.833 1.00 72.23 H new ATOM 0 HB2 ASN A 19 7.180 -4.824 -16.275 1.00 1.32 H new ATOM 0 HB3 ASN A 19 6.721 -4.433 -17.921 1.00 1.32 H new ATOM 0 HD21 ASN A 19 5.101 -1.411 -17.128 1.00 43.32 H new ATOM 0 HD22 ASN A 19 5.590 -2.573 -18.366 1.00 43.32 H new ATOM 267 N ASN A 20 4.000 -5.254 -18.897 1.00 4.44 N ATOM 268 CA ASN A 20 2.848 -4.831 -19.685 1.00 22.24 C ATOM 269 C ASN A 20 1.622 -5.674 -19.350 1.00 34.42 C ATOM 270 O ASN A 20 0.492 -5.188 -19.388 1.00 0.53 O ATOM 271 CB ASN A 20 3.160 -4.935 -21.179 1.00 22.32 C ATOM 272 CG ASN A 20 3.764 -3.660 -21.734 1.00 3.34 C ATOM 273 OD1 ASN A 20 3.242 -3.074 -22.682 1.00 11.42 O ATOM 274 ND2 ASN A 20 4.871 -3.224 -21.143 1.00 62.03 N ATOM 0 H ASN A 20 4.776 -5.620 -19.448 1.00 4.44 H new ATOM 0 HA ASN A 20 2.631 -3.792 -19.438 1.00 22.24 H new ATOM 0 HB2 ASN A 20 3.849 -5.763 -21.347 1.00 22.32 H new ATOM 0 HB3 ASN A 20 2.244 -5.167 -21.723 1.00 22.32 H new ATOM 0 HD21 ASN A 20 5.323 -2.371 -21.472 1.00 62.03 H new ATOM 0 HD22 ASN A 20 5.269 -3.742 -20.360 1.00 62.03 H new ATOM 281 N ALA A 21 1.853 -6.941 -19.022 1.00 31.34 N ATOM 282 CA ALA A 21 0.768 -7.852 -18.677 1.00 53.55 C ATOM 283 C ALA A 21 0.342 -7.673 -17.224 1.00 74.22 C ATOM 284 O ALA A 21 -0.849 -7.689 -16.910 1.00 71.15 O ATOM 285 CB ALA A 21 1.186 -9.292 -18.934 1.00 13.10 C ATOM 0 H ALA A 21 2.782 -7.360 -18.988 1.00 31.34 H new ATOM 0 HA ALA A 21 -0.087 -7.616 -19.310 1.00 53.55 H new ATOM 0 HB1 ALA A 21 0.366 -9.961 -18.672 1.00 13.10 H new ATOM 0 HB2 ALA A 21 1.433 -9.416 -19.988 1.00 13.10 H new ATOM 0 HB3 ALA A 21 2.058 -9.532 -18.326 1.00 13.10 H new ATOM 291 N ILE A 22 1.321 -7.504 -16.342 1.00 34.31 N ATOM 292 CA ILE A 22 1.046 -7.323 -14.922 1.00 52.20 C ATOM 293 C ILE A 22 0.358 -5.987 -14.662 1.00 0.13 C ATOM 294 O ILE A 22 -0.663 -5.927 -13.977 1.00 43.32 O ATOM 295 CB ILE A 22 2.337 -7.395 -14.085 1.00 54.51 C ATOM 296 CG1 ILE A 22 3.031 -8.742 -14.294 1.00 4.32 C ATOM 297 CG2 ILE A 22 2.026 -7.175 -12.612 1.00 74.40 C ATOM 298 CD1 ILE A 22 2.162 -9.930 -13.948 1.00 73.13 C ATOM 0 H ILE A 22 2.311 -7.489 -16.585 1.00 34.31 H new ATOM 0 HA ILE A 22 0.383 -8.135 -14.622 1.00 52.20 H new ATOM 0 HB ILE A 22 3.012 -6.605 -14.415 1.00 54.51 H new ATOM 0 HG12 ILE A 22 3.344 -8.822 -15.335 1.00 4.32 H new ATOM 0 HG13 ILE A 22 3.935 -8.774 -13.686 1.00 4.32 H new ATOM 0 HG21 ILE A 22 2.948 -7.229 -12.033 1.00 74.40 H new ATOM 0 HG22 ILE A 22 1.571 -6.194 -12.479 1.00 74.40 H new ATOM 0 HG23 ILE A 22 1.336 -7.945 -12.267 1.00 74.40 H new ATOM 0 HD11 ILE A 22 2.719 -10.851 -14.121 1.00 73.13 H new ATOM 0 HD12 ILE A 22 1.870 -9.874 -12.899 1.00 73.13 H new ATOM 0 HD13 ILE A 22 1.270 -9.923 -14.574 1.00 73.13 H new ATOM 310 N GLU A 23 0.924 -4.918 -15.214 1.00 60.42 N ATOM 311 CA GLU A 23 0.364 -3.583 -15.042 1.00 71.10 C ATOM 312 C GLU A 23 -1.122 -3.568 -15.389 1.00 11.43 C ATOM 313 O GLU A 23 -1.908 -2.855 -14.764 1.00 65.34 O ATOM 314 CB GLU A 23 1.113 -2.575 -15.916 1.00 23.02 C ATOM 315 CG GLU A 23 0.899 -2.784 -17.406 1.00 4.44 C ATOM 316 CD GLU A 23 -0.131 -1.835 -17.985 1.00 54.45 C ATOM 317 OE1 GLU A 23 -0.047 -1.534 -19.195 1.00 25.42 O ATOM 318 OE2 GLU A 23 -1.022 -1.392 -17.231 1.00 33.13 O ATOM 0 H GLU A 23 1.769 -4.951 -15.784 1.00 60.42 H new ATOM 0 HA GLU A 23 0.478 -3.301 -13.995 1.00 71.10 H new ATOM 0 HB2 GLU A 23 0.793 -1.568 -15.649 1.00 23.02 H new ATOM 0 HB3 GLU A 23 2.179 -2.639 -15.698 1.00 23.02 H new ATOM 0 HG2 GLU A 23 1.846 -2.649 -17.928 1.00 4.44 H new ATOM 0 HG3 GLU A 23 0.581 -3.811 -17.583 1.00 4.44 H new ATOM 325 N GLU A 24 -1.499 -4.358 -16.389 1.00 22.22 N ATOM 326 CA GLU A 24 -2.890 -4.434 -16.819 1.00 61.03 C ATOM 327 C GLU A 24 -3.734 -5.197 -15.802 1.00 5.31 C ATOM 328 O GLU A 24 -4.873 -4.826 -15.523 1.00 13.04 O ATOM 329 CB GLU A 24 -2.987 -5.111 -18.188 1.00 51.43 C ATOM 330 CG GLU A 24 -2.432 -4.268 -19.324 1.00 52.14 C ATOM 331 CD GLU A 24 -2.392 -5.018 -20.642 1.00 30.24 C ATOM 332 OE1 GLU A 24 -3.432 -5.587 -21.033 1.00 54.32 O ATOM 333 OE2 GLU A 24 -1.319 -5.036 -21.281 1.00 31.33 O ATOM 0 H GLU A 24 -0.861 -4.954 -16.916 1.00 22.22 H new ATOM 0 HA GLU A 24 -3.276 -3.417 -16.895 1.00 61.03 H new ATOM 0 HB2 GLU A 24 -2.450 -6.059 -18.154 1.00 51.43 H new ATOM 0 HB3 GLU A 24 -4.031 -5.344 -18.396 1.00 51.43 H new ATOM 0 HG2 GLU A 24 -3.042 -3.372 -19.438 1.00 52.14 H new ATOM 0 HG3 GLU A 24 -1.425 -3.937 -19.068 1.00 52.14 H new ATOM 340 N MET A 25 -3.165 -6.265 -15.252 1.00 43.40 N ATOM 341 CA MET A 25 -3.864 -7.079 -14.265 1.00 62.52 C ATOM 342 C MET A 25 -4.057 -6.310 -12.963 1.00 5.54 C ATOM 343 O MET A 25 -5.160 -6.256 -12.420 1.00 24.34 O ATOM 344 CB MET A 25 -3.089 -8.371 -13.998 1.00 21.32 C ATOM 345 CG MET A 25 -3.030 -9.304 -15.197 1.00 35.04 C ATOM 346 SD MET A 25 -3.448 -11.006 -14.773 1.00 64.32 S ATOM 347 CE MET A 25 -3.136 -11.829 -16.333 1.00 64.40 C ATOM 0 H MET A 25 -2.223 -6.586 -15.473 1.00 43.40 H new ATOM 0 HA MET A 25 -4.846 -7.329 -14.667 1.00 62.52 H new ATOM 0 HB2 MET A 25 -2.073 -8.119 -13.694 1.00 21.32 H new ATOM 0 HB3 MET A 25 -3.551 -8.896 -13.162 1.00 21.32 H new ATOM 0 HG2 MET A 25 -3.715 -8.946 -15.965 1.00 35.04 H new ATOM 0 HG3 MET A 25 -2.028 -9.276 -15.626 1.00 35.04 H new ATOM 0 HE1 MET A 25 -3.159 -12.909 -16.186 1.00 64.40 H new ATOM 0 HE2 MET A 25 -3.903 -11.545 -17.054 1.00 64.40 H new ATOM 0 HE3 MET A 25 -2.157 -11.535 -16.710 1.00 64.40 H new ATOM 357 N ALA A 26 -2.976 -5.715 -12.467 1.00 15.25 N ATOM 358 CA ALA A 26 -3.028 -4.947 -11.229 1.00 1.42 C ATOM 359 C ALA A 26 -4.152 -3.917 -11.268 1.00 41.11 C ATOM 360 O ALA A 26 -4.792 -3.642 -10.253 1.00 74.31 O ATOM 361 CB ALA A 26 -1.692 -4.263 -10.976 1.00 31.52 C ATOM 0 H ALA A 26 -2.055 -5.750 -12.903 1.00 15.25 H new ATOM 0 HA ALA A 26 -3.232 -5.638 -10.411 1.00 1.42 H new ATOM 0 HB1 ALA A 26 -1.745 -3.693 -10.048 1.00 31.52 H new ATOM 0 HB2 ALA A 26 -0.908 -5.015 -10.895 1.00 31.52 H new ATOM 0 HB3 ALA A 26 -1.465 -3.590 -11.803 1.00 31.52 H new ATOM 367 N LYS A 27 -4.387 -3.349 -12.446 1.00 45.31 N ATOM 368 CA LYS A 27 -5.434 -2.349 -12.619 1.00 3.01 C ATOM 369 C LYS A 27 -6.812 -2.958 -12.382 1.00 61.10 C ATOM 370 O LYS A 27 -7.641 -2.383 -11.678 1.00 55.04 O ATOM 371 CB LYS A 27 -5.365 -1.746 -14.024 1.00 33.50 C ATOM 372 CG LYS A 27 -5.357 -0.228 -14.035 1.00 12.42 C ATOM 373 CD LYS A 27 -5.699 0.322 -15.409 1.00 53.14 C ATOM 374 CE LYS A 27 -4.476 0.364 -16.313 1.00 75.10 C ATOM 375 NZ LYS A 27 -3.629 1.559 -16.045 1.00 32.22 N ATOM 0 H LYS A 27 -3.866 -3.564 -13.296 1.00 45.31 H new ATOM 0 HA LYS A 27 -5.274 -1.560 -11.884 1.00 3.01 H new ATOM 0 HB2 LYS A 27 -4.466 -2.109 -14.522 1.00 33.50 H new ATOM 0 HB3 LYS A 27 -6.217 -2.101 -14.605 1.00 33.50 H new ATOM 0 HG2 LYS A 27 -6.074 0.146 -13.304 1.00 12.42 H new ATOM 0 HG3 LYS A 27 -4.375 0.134 -13.732 1.00 12.42 H new ATOM 0 HD2 LYS A 27 -6.471 -0.296 -15.868 1.00 53.14 H new ATOM 0 HD3 LYS A 27 -6.113 1.325 -15.308 1.00 53.14 H new ATOM 0 HE2 LYS A 27 -3.885 -0.540 -16.167 1.00 75.10 H new ATOM 0 HE3 LYS A 27 -4.795 0.371 -17.355 1.00 75.10 H new ATOM 0 HZ1 LYS A 27 -2.806 1.551 -16.681 1.00 32.22 H new ATOM 0 HZ2 LYS A 27 -4.185 2.422 -16.209 1.00 32.22 H new ATOM 0 HZ3 LYS A 27 -3.303 1.539 -15.057 1.00 32.22 H new ATOM 389 N GLU A 28 -7.048 -4.125 -12.973 1.00 63.40 N ATOM 390 CA GLU A 28 -8.326 -4.812 -12.825 1.00 3.43 C ATOM 391 C GLU A 28 -8.616 -5.109 -11.356 1.00 54.14 C ATOM 392 O GLU A 28 -9.761 -5.024 -10.909 1.00 24.50 O ATOM 393 CB GLU A 28 -8.328 -6.113 -13.630 1.00 3.31 C ATOM 394 CG GLU A 28 -9.703 -6.744 -13.763 1.00 33.12 C ATOM 395 CD GLU A 28 -10.483 -6.201 -14.945 1.00 24.40 C ATOM 396 OE1 GLU A 28 -9.929 -5.361 -15.684 1.00 42.42 O ATOM 397 OE2 GLU A 28 -11.645 -6.617 -15.131 1.00 14.41 O ATOM 0 H GLU A 28 -6.371 -4.614 -13.559 1.00 63.40 H new ATOM 0 HA GLU A 28 -9.108 -4.156 -13.207 1.00 3.43 H new ATOM 0 HB2 GLU A 28 -7.931 -5.915 -14.625 1.00 3.31 H new ATOM 0 HB3 GLU A 28 -7.655 -6.826 -13.154 1.00 3.31 H new ATOM 0 HG2 GLU A 28 -9.594 -7.823 -13.869 1.00 33.12 H new ATOM 0 HG3 GLU A 28 -10.269 -6.569 -12.848 1.00 33.12 H new ATOM 404 N HIS A 29 -7.572 -5.458 -10.611 1.00 53.14 N ATOM 405 CA HIS A 29 -7.715 -5.768 -9.193 1.00 64.03 C ATOM 406 C HIS A 29 -7.796 -4.490 -8.363 1.00 62.42 C ATOM 407 O HIS A 29 -8.438 -4.460 -7.315 1.00 35.13 O ATOM 408 CB HIS A 29 -6.542 -6.626 -8.717 1.00 41.20 C ATOM 409 CG HIS A 29 -6.471 -7.966 -9.382 1.00 51.11 C ATOM 410 ND1 HIS A 29 -7.324 -9.005 -9.074 1.00 41.22 N ATOM 411 CD2 HIS A 29 -5.643 -8.434 -10.345 1.00 52.54 C ATOM 412 CE1 HIS A 29 -7.022 -10.054 -9.818 1.00 74.10 C ATOM 413 NE2 HIS A 29 -6.006 -9.733 -10.598 1.00 72.55 N ATOM 0 H HIS A 29 -6.618 -5.533 -10.965 1.00 53.14 H new ATOM 0 HA HIS A 29 -8.642 -6.326 -9.059 1.00 64.03 H new ATOM 0 HB2 HIS A 29 -5.612 -6.089 -8.901 1.00 41.20 H new ATOM 0 HB3 HIS A 29 -6.620 -6.768 -7.639 1.00 41.20 H new ATOM 0 HD2 HIS A 29 -4.845 -7.887 -10.825 1.00 52.54 H new ATOM 0 HE1 HIS A 29 -7.521 -11.011 -9.793 1.00 74.10 H new ATOM 0 HE2 HIS A 29 -5.563 -10.350 -11.278 1.00 72.55 H new ATOM 421 N ASN A 30 -7.139 -3.438 -8.840 1.00 1.10 N ATOM 422 CA ASN A 30 -7.136 -2.158 -8.141 1.00 1.01 C ATOM 423 C ASN A 30 -6.434 -2.277 -6.791 1.00 55.13 C ATOM 424 O ASN A 30 -6.900 -1.734 -5.789 1.00 4.32 O ATOM 425 CB ASN A 30 -8.568 -1.659 -7.942 1.00 14.24 C ATOM 426 CG ASN A 30 -9.443 -1.913 -9.154 1.00 34.53 C ATOM 427 OD1 ASN A 30 -9.394 -1.172 -10.135 1.00 72.24 O ATOM 428 ND2 ASN A 30 -10.250 -2.966 -9.090 1.00 34.10 N ATOM 0 H ASN A 30 -6.602 -3.446 -9.707 1.00 1.10 H new ATOM 0 HA ASN A 30 -6.590 -1.439 -8.752 1.00 1.01 H new ATOM 0 HB2 ASN A 30 -9.004 -2.152 -7.073 1.00 14.24 H new ATOM 0 HB3 ASN A 30 -8.551 -0.590 -7.727 1.00 14.24 H new ATOM 0 HD21 ASN A 30 -10.862 -3.188 -9.875 1.00 34.10 H new ATOM 0 HD22 ASN A 30 -10.257 -3.553 -8.256 1.00 34.10 H new ATOM 435 N ILE A 31 -5.313 -2.990 -6.774 1.00 55.02 N ATOM 436 CA ILE A 31 -4.547 -3.178 -5.549 1.00 32.54 C ATOM 437 C ILE A 31 -3.443 -2.134 -5.425 1.00 21.33 C ATOM 438 O ILE A 31 -2.905 -1.661 -6.426 1.00 13.30 O ATOM 439 CB ILE A 31 -3.919 -4.583 -5.488 1.00 31.31 C ATOM 440 CG1 ILE A 31 -4.981 -5.653 -5.753 1.00 40.51 C ATOM 441 CG2 ILE A 31 -3.258 -4.810 -4.137 1.00 4.23 C ATOM 442 CD1 ILE A 31 -4.413 -7.048 -5.890 1.00 43.30 C ATOM 0 H ILE A 31 -4.915 -3.447 -7.595 1.00 55.02 H new ATOM 0 HA ILE A 31 -5.245 -3.065 -4.720 1.00 32.54 H new ATOM 0 HB ILE A 31 -3.155 -4.656 -6.262 1.00 31.31 H new ATOM 0 HG12 ILE A 31 -5.706 -5.643 -4.939 1.00 40.51 H new ATOM 0 HG13 ILE A 31 -5.522 -5.399 -6.665 1.00 40.51 H new ATOM 0 HG21 ILE A 31 -2.819 -5.807 -4.110 1.00 4.23 H new ATOM 0 HG22 ILE A 31 -2.477 -4.065 -3.984 1.00 4.23 H new ATOM 0 HG23 ILE A 31 -4.004 -4.720 -3.347 1.00 4.23 H new ATOM 0 HD11 ILE A 31 -5.222 -7.754 -6.076 1.00 43.30 H new ATOM 0 HD12 ILE A 31 -3.710 -7.074 -6.722 1.00 43.30 H new ATOM 0 HD13 ILE A 31 -3.897 -7.323 -4.970 1.00 43.30 H new ATOM 454 N LYS A 32 -3.107 -1.780 -4.189 1.00 33.02 N ATOM 455 CA LYS A 32 -2.064 -0.794 -3.932 1.00 34.15 C ATOM 456 C LYS A 32 -0.680 -1.401 -4.135 1.00 42.21 C ATOM 457 O LYS A 32 0.098 -1.529 -3.189 1.00 71.44 O ATOM 458 CB LYS A 32 -2.190 -0.249 -2.507 1.00 45.10 C ATOM 459 CG LYS A 32 -3.211 0.867 -2.370 1.00 62.13 C ATOM 460 CD LYS A 32 -4.630 0.324 -2.342 1.00 23.21 C ATOM 461 CE LYS A 32 -5.565 1.248 -1.577 1.00 60.02 C ATOM 462 NZ LYS A 32 -5.537 2.636 -2.117 1.00 30.41 N ATOM 0 H LYS A 32 -3.542 -2.162 -3.349 1.00 33.02 H new ATOM 0 HA LYS A 32 -2.189 0.025 -4.640 1.00 34.15 H new ATOM 0 HB2 LYS A 32 -2.464 -1.065 -1.838 1.00 45.10 H new ATOM 0 HB3 LYS A 32 -1.217 0.118 -2.180 1.00 45.10 H new ATOM 0 HG2 LYS A 32 -3.017 1.429 -1.456 1.00 62.13 H new ATOM 0 HG3 LYS A 32 -3.103 1.564 -3.201 1.00 62.13 H new ATOM 0 HD2 LYS A 32 -4.994 0.200 -3.362 1.00 23.21 H new ATOM 0 HD3 LYS A 32 -4.634 -0.663 -1.880 1.00 23.21 H new ATOM 0 HE2 LYS A 32 -6.582 0.859 -1.628 1.00 60.02 H new ATOM 0 HE3 LYS A 32 -5.281 1.262 -0.525 1.00 60.02 H new ATOM 0 HZ1 LYS A 32 -6.293 3.196 -1.674 1.00 30.41 H new ATOM 0 HZ2 LYS A 32 -4.616 3.071 -1.908 1.00 30.41 H new ATOM 0 HZ3 LYS A 32 -5.683 2.611 -3.146 1.00 30.41 H new ATOM 476 N VAL A 33 -0.377 -1.771 -5.375 1.00 74.24 N ATOM 477 CA VAL A 33 0.915 -2.362 -5.703 1.00 54.14 C ATOM 478 C VAL A 33 1.679 -1.495 -6.698 1.00 75.10 C ATOM 479 O VAL A 33 1.090 -0.911 -7.608 1.00 62.12 O ATOM 480 CB VAL A 33 0.752 -3.776 -6.291 1.00 21.52 C ATOM 481 CG1 VAL A 33 -0.173 -3.751 -7.498 1.00 14.43 C ATOM 482 CG2 VAL A 33 2.108 -4.358 -6.661 1.00 21.21 C ATOM 0 H VAL A 33 -1.009 -1.672 -6.169 1.00 74.24 H new ATOM 0 HA VAL A 33 1.479 -2.426 -4.773 1.00 54.14 H new ATOM 0 HB VAL A 33 0.301 -4.416 -5.532 1.00 21.52 H new ATOM 0 HG11 VAL A 33 -0.275 -4.759 -7.899 1.00 14.43 H new ATOM 0 HG12 VAL A 33 -1.153 -3.379 -7.198 1.00 14.43 H new ATOM 0 HG13 VAL A 33 0.245 -3.097 -8.263 1.00 14.43 H new ATOM 0 HG21 VAL A 33 1.974 -5.357 -7.075 1.00 21.21 H new ATOM 0 HG22 VAL A 33 2.588 -3.719 -7.403 1.00 21.21 H new ATOM 0 HG23 VAL A 33 2.735 -4.415 -5.771 1.00 21.21 H new ATOM 492 N ASP A 34 2.992 -1.416 -6.518 1.00 64.44 N ATOM 493 CA ASP A 34 3.839 -0.622 -7.401 1.00 55.13 C ATOM 494 C ASP A 34 4.850 -1.505 -8.124 1.00 65.41 C ATOM 495 O ASP A 34 5.624 -2.225 -7.492 1.00 31.23 O ATOM 496 CB ASP A 34 4.566 0.462 -6.605 1.00 44.53 C ATOM 497 CG ASP A 34 4.613 1.788 -7.340 1.00 74.43 C ATOM 498 OD1 ASP A 34 5.580 2.013 -8.097 1.00 43.41 O ATOM 499 OD2 ASP A 34 3.681 2.599 -7.159 1.00 74.45 O ATOM 0 H ASP A 34 3.494 -1.892 -5.768 1.00 64.44 H new ATOM 0 HA ASP A 34 3.201 -0.148 -8.147 1.00 55.13 H new ATOM 0 HB2 ASP A 34 4.068 0.599 -5.645 1.00 44.53 H new ATOM 0 HB3 ASP A 34 5.583 0.132 -6.392 1.00 44.53 H new ATOM 504 N ILE A 35 4.838 -1.446 -9.451 1.00 63.14 N ATOM 505 CA ILE A 35 5.755 -2.241 -10.260 1.00 11.35 C ATOM 506 C ILE A 35 7.087 -1.523 -10.446 1.00 3.22 C ATOM 507 O ILE A 35 7.141 -0.294 -10.502 1.00 30.04 O ATOM 508 CB ILE A 35 5.157 -2.556 -11.643 1.00 73.22 C ATOM 509 CG1 ILE A 35 3.763 -3.169 -11.493 1.00 12.03 C ATOM 510 CG2 ILE A 35 6.073 -3.494 -12.415 1.00 40.11 C ATOM 511 CD1 ILE A 35 3.036 -3.348 -12.807 1.00 42.34 C ATOM 0 H ILE A 35 4.204 -0.856 -9.989 1.00 63.14 H new ATOM 0 HA ILE A 35 5.920 -3.175 -9.724 1.00 11.35 H new ATOM 0 HB ILE A 35 5.066 -1.625 -12.203 1.00 73.22 H new ATOM 0 HG12 ILE A 35 3.852 -4.138 -11.002 1.00 12.03 H new ATOM 0 HG13 ILE A 35 3.164 -2.534 -10.840 1.00 12.03 H new ATOM 0 HG21 ILE A 35 5.637 -3.707 -13.391 1.00 40.11 H new ATOM 0 HG22 ILE A 35 7.047 -3.023 -12.548 1.00 40.11 H new ATOM 0 HG23 ILE A 35 6.193 -4.424 -11.860 1.00 40.11 H new ATOM 0 HD11 ILE A 35 2.055 -3.787 -12.623 1.00 42.34 H new ATOM 0 HD12 ILE A 35 2.915 -2.379 -13.291 1.00 42.34 H new ATOM 0 HD13 ILE A 35 3.613 -4.007 -13.455 1.00 42.34 H new ATOM 523 N LYS A 36 8.162 -2.298 -10.543 1.00 41.14 N ATOM 524 CA LYS A 36 9.496 -1.738 -10.727 1.00 12.11 C ATOM 525 C LYS A 36 10.344 -2.635 -11.623 1.00 11.21 C ATOM 526 O LYS A 36 10.301 -3.859 -11.508 1.00 71.45 O ATOM 527 CB LYS A 36 10.185 -1.554 -9.373 1.00 13.31 C ATOM 528 CG LYS A 36 10.953 -0.249 -9.254 1.00 10.21 C ATOM 529 CD LYS A 36 10.584 0.502 -7.985 1.00 73.05 C ATOM 530 CE LYS A 36 11.779 1.247 -7.411 1.00 12.11 C ATOM 531 NZ LYS A 36 11.541 2.716 -7.353 1.00 31.02 N ATOM 0 H LYS A 36 8.135 -3.317 -10.497 1.00 41.14 H new ATOM 0 HA LYS A 36 9.392 -0.766 -11.210 1.00 12.11 H new ATOM 0 HB2 LYS A 36 9.434 -1.597 -8.584 1.00 13.31 H new ATOM 0 HB3 LYS A 36 10.870 -2.385 -9.207 1.00 13.31 H new ATOM 0 HG2 LYS A 36 12.024 -0.454 -9.258 1.00 10.21 H new ATOM 0 HG3 LYS A 36 10.745 0.377 -10.122 1.00 10.21 H new ATOM 0 HD2 LYS A 36 9.782 1.209 -8.199 1.00 73.05 H new ATOM 0 HD3 LYS A 36 10.201 -0.200 -7.244 1.00 73.05 H new ATOM 0 HE2 LYS A 36 11.993 0.874 -6.409 1.00 12.11 H new ATOM 0 HE3 LYS A 36 12.660 1.046 -8.021 1.00 12.11 H new ATOM 0 HZ1 LYS A 36 12.378 3.188 -6.956 1.00 31.02 H new ATOM 0 HZ2 LYS A 36 11.362 3.077 -8.312 1.00 31.02 H new ATOM 0 HZ3 LYS A 36 10.716 2.910 -6.750 1.00 31.02 H new ATOM 545 N GLN A 37 11.114 -2.017 -12.512 1.00 42.33 N ATOM 546 CA GLN A 37 11.973 -2.761 -13.427 1.00 13.55 C ATOM 547 C GLN A 37 13.444 -2.474 -13.146 1.00 22.52 C ATOM 548 O GLN A 37 13.877 -1.322 -13.164 1.00 53.31 O ATOM 549 CB GLN A 37 11.639 -2.404 -14.876 1.00 62.33 C ATOM 550 CG GLN A 37 10.173 -2.597 -15.228 1.00 61.45 C ATOM 551 CD GLN A 37 9.948 -3.761 -16.173 1.00 63.43 C ATOM 552 OE1 GLN A 37 10.302 -4.901 -15.869 1.00 4.34 O ATOM 553 NE2 GLN A 37 9.356 -3.481 -17.328 1.00 45.24 N ATOM 0 H GLN A 37 11.161 -1.004 -12.619 1.00 42.33 H new ATOM 0 HA GLN A 37 11.793 -3.825 -13.272 1.00 13.55 H new ATOM 0 HB2 GLN A 37 11.914 -1.365 -15.058 1.00 62.33 H new ATOM 0 HB3 GLN A 37 12.247 -3.016 -15.542 1.00 62.33 H new ATOM 0 HG2 GLN A 37 9.602 -2.761 -14.314 1.00 61.45 H new ATOM 0 HG3 GLN A 37 9.790 -1.684 -15.684 1.00 61.45 H new ATOM 0 HE21 GLN A 37 9.079 -2.523 -17.540 1.00 45.24 H new ATOM 0 HE22 GLN A 37 9.178 -4.224 -18.003 1.00 45.24 H new ATOM 562 N ILE A 38 14.208 -3.530 -12.886 1.00 31.30 N ATOM 563 CA ILE A 38 15.631 -3.392 -12.602 1.00 51.11 C ATOM 564 C ILE A 38 16.433 -4.514 -13.252 1.00 72.14 C ATOM 565 O ILE A 38 15.869 -5.496 -13.736 1.00 31.25 O ATOM 566 CB ILE A 38 15.905 -3.392 -11.087 1.00 2.33 C ATOM 567 CG1 ILE A 38 15.931 -4.825 -10.551 1.00 10.42 C ATOM 568 CG2 ILE A 38 14.855 -2.567 -10.358 1.00 54.23 C ATOM 569 CD1 ILE A 38 14.675 -5.609 -10.862 1.00 3.34 C ATOM 0 H ILE A 38 13.865 -4.490 -12.866 1.00 31.30 H new ATOM 0 HA ILE A 38 15.945 -2.435 -13.020 1.00 51.11 H new ATOM 0 HB ILE A 38 16.881 -2.940 -10.910 1.00 2.33 H new ATOM 0 HG12 ILE A 38 16.789 -5.347 -10.974 1.00 10.42 H new ATOM 0 HG13 ILE A 38 16.075 -4.798 -9.471 1.00 10.42 H new ATOM 0 HG21 ILE A 38 15.063 -2.577 -9.288 1.00 54.23 H new ATOM 0 HG22 ILE A 38 14.881 -1.540 -10.723 1.00 54.23 H new ATOM 0 HG23 ILE A 38 13.868 -2.992 -10.540 1.00 54.23 H new ATOM 0 HD11 ILE A 38 14.763 -6.615 -10.452 1.00 3.34 H new ATOM 0 HD12 ILE A 38 13.815 -5.110 -10.416 1.00 3.34 H new ATOM 0 HD13 ILE A 38 14.541 -5.668 -11.942 1.00 3.34 H new ATOM 581 N LYS A 39 17.753 -4.363 -13.260 1.00 11.21 N ATOM 582 CA LYS A 39 18.635 -5.364 -13.848 1.00 31.14 C ATOM 583 C LYS A 39 18.869 -6.519 -12.879 1.00 33.01 C ATOM 584 O LYS A 39 18.664 -6.380 -11.673 1.00 22.44 O ATOM 585 CB LYS A 39 19.973 -4.731 -14.235 1.00 0.41 C ATOM 586 CG LYS A 39 20.079 -4.387 -15.711 1.00 20.43 C ATOM 587 CD LYS A 39 21.487 -4.614 -16.236 1.00 54.02 C ATOM 588 CE LYS A 39 21.688 -6.052 -16.688 1.00 23.45 C ATOM 589 NZ LYS A 39 20.798 -6.406 -17.827 1.00 72.14 N ATOM 0 H LYS A 39 18.236 -3.556 -12.865 1.00 11.21 H new ATOM 0 HA LYS A 39 18.153 -5.755 -14.744 1.00 31.14 H new ATOM 0 HB2 LYS A 39 20.120 -3.824 -13.648 1.00 0.41 H new ATOM 0 HB3 LYS A 39 20.779 -5.416 -13.971 1.00 0.41 H new ATOM 0 HG2 LYS A 39 19.375 -4.996 -16.279 1.00 20.43 H new ATOM 0 HG3 LYS A 39 19.796 -3.346 -15.864 1.00 20.43 H new ATOM 0 HD2 LYS A 39 21.679 -3.939 -17.070 1.00 54.02 H new ATOM 0 HD3 LYS A 39 22.210 -4.372 -15.457 1.00 54.02 H new ATOM 0 HE2 LYS A 39 22.728 -6.198 -16.981 1.00 23.45 H new ATOM 0 HE3 LYS A 39 21.494 -6.725 -15.853 1.00 23.45 H new ATOM 0 HZ1 LYS A 39 21.222 -7.185 -18.370 1.00 72.14 H new ATOM 0 HZ2 LYS A 39 19.870 -6.703 -17.463 1.00 72.14 H new ATOM 0 HZ3 LYS A 39 20.679 -5.578 -18.445 1.00 72.14 H new ATOM 603 N ILE A 40 19.299 -7.656 -13.414 1.00 70.43 N ATOM 604 CA ILE A 40 19.563 -8.834 -12.596 1.00 52.52 C ATOM 605 C ILE A 40 20.492 -8.499 -11.435 1.00 1.45 C ATOM 606 O ILE A 40 20.327 -9.008 -10.325 1.00 42.34 O ATOM 607 CB ILE A 40 20.188 -9.969 -13.428 1.00 50.22 C ATOM 608 CG1 ILE A 40 20.480 -11.180 -12.540 1.00 44.11 C ATOM 609 CG2 ILE A 40 21.459 -9.487 -14.111 1.00 41.32 C ATOM 610 CD1 ILE A 40 19.245 -11.768 -11.894 1.00 44.12 C ATOM 0 H ILE A 40 19.472 -7.787 -14.411 1.00 70.43 H new ATOM 0 HA ILE A 40 18.602 -9.169 -12.205 1.00 52.52 H new ATOM 0 HB ILE A 40 19.477 -10.270 -14.198 1.00 50.22 H new ATOM 0 HG12 ILE A 40 20.969 -11.949 -13.138 1.00 44.11 H new ATOM 0 HG13 ILE A 40 21.184 -10.887 -11.761 1.00 44.11 H new ATOM 0 HG21 ILE A 40 21.889 -10.301 -14.695 1.00 41.32 H new ATOM 0 HG22 ILE A 40 21.223 -8.652 -14.771 1.00 41.32 H new ATOM 0 HG23 ILE A 40 22.177 -9.163 -13.357 1.00 41.32 H new ATOM 0 HD11 ILE A 40 19.528 -12.623 -11.279 1.00 44.12 H new ATOM 0 HD12 ILE A 40 18.767 -11.014 -11.269 1.00 44.12 H new ATOM 0 HD13 ILE A 40 18.549 -12.092 -12.668 1.00 44.12 H new ATOM 622 N THR A 41 21.470 -7.637 -11.696 1.00 1.44 N ATOM 623 CA THR A 41 22.426 -7.232 -10.672 1.00 71.34 C ATOM 624 C THR A 41 21.994 -5.935 -9.999 1.00 2.32 C ATOM 625 O THR A 41 22.829 -5.160 -9.532 1.00 33.54 O ATOM 626 CB THR A 41 23.836 -7.046 -11.263 1.00 62.13 C ATOM 627 OG1 THR A 41 23.862 -5.896 -12.116 1.00 23.00 O ATOM 628 CG2 THR A 41 24.260 -8.277 -12.050 1.00 50.04 C ATOM 0 H THR A 41 21.621 -7.206 -12.608 1.00 1.44 H new ATOM 0 HA THR A 41 22.453 -8.031 -9.931 1.00 71.34 H new ATOM 0 HB THR A 41 24.535 -6.903 -10.439 1.00 62.13 H new ATOM 0 HG1 THR A 41 24.762 -5.784 -12.486 1.00 23.00 H new ATOM 0 HG21 THR A 41 25.259 -8.122 -12.458 1.00 50.04 H new ATOM 0 HG22 THR A 41 24.268 -9.145 -11.391 1.00 50.04 H new ATOM 0 HG23 THR A 41 23.558 -8.447 -12.866 1.00 50.04 H new ATOM 636 N GLU A 42 20.686 -5.704 -9.952 1.00 32.40 N ATOM 637 CA GLU A 42 20.145 -4.499 -9.335 1.00 34.33 C ATOM 638 C GLU A 42 19.225 -4.851 -8.169 1.00 30.12 C ATOM 639 O GLU A 42 18.987 -4.031 -7.282 1.00 74.11 O ATOM 640 CB GLU A 42 19.381 -3.669 -10.368 1.00 52.03 C ATOM 641 CG GLU A 42 19.174 -2.222 -9.954 1.00 12.11 C ATOM 642 CD GLU A 42 20.457 -1.414 -9.994 1.00 74.31 C ATOM 643 OE1 GLU A 42 21.094 -1.365 -11.067 1.00 11.13 O ATOM 644 OE2 GLU A 42 20.823 -0.831 -8.952 1.00 33.30 O ATOM 0 H GLU A 42 19.982 -6.335 -10.334 1.00 32.40 H new ATOM 0 HA GLU A 42 20.980 -3.911 -8.953 1.00 34.33 H new ATOM 0 HB2 GLU A 42 19.923 -3.694 -11.314 1.00 52.03 H new ATOM 0 HB3 GLU A 42 18.409 -4.130 -10.545 1.00 52.03 H new ATOM 0 HG2 GLU A 42 18.438 -1.761 -10.613 1.00 12.11 H new ATOM 0 HG3 GLU A 42 18.762 -2.192 -8.945 1.00 12.11 H new ATOM 651 N VAL A 43 18.710 -6.077 -8.178 1.00 5.24 N ATOM 652 CA VAL A 43 17.817 -6.539 -7.122 1.00 5.44 C ATOM 653 C VAL A 43 18.564 -6.698 -5.802 1.00 34.43 C ATOM 654 O VAL A 43 17.965 -6.645 -4.728 1.00 45.30 O ATOM 655 CB VAL A 43 17.158 -7.880 -7.491 1.00 73.44 C ATOM 656 CG1 VAL A 43 18.215 -8.925 -7.814 1.00 45.34 C ATOM 657 CG2 VAL A 43 16.253 -8.357 -6.365 1.00 53.24 C ATOM 0 H VAL A 43 18.896 -6.768 -8.905 1.00 5.24 H new ATOM 0 HA VAL A 43 17.042 -5.781 -7.009 1.00 5.44 H new ATOM 0 HB VAL A 43 16.546 -7.730 -8.380 1.00 73.44 H new ATOM 0 HG11 VAL A 43 17.729 -9.866 -8.072 1.00 45.34 H new ATOM 0 HG12 VAL A 43 18.818 -8.585 -8.656 1.00 45.34 H new ATOM 0 HG13 VAL A 43 18.856 -9.074 -6.945 1.00 45.34 H new ATOM 0 HG21 VAL A 43 15.796 -9.306 -6.643 1.00 53.24 H new ATOM 0 HG22 VAL A 43 16.841 -8.490 -5.457 1.00 53.24 H new ATOM 0 HG23 VAL A 43 15.473 -7.617 -6.187 1.00 53.24 H new ATOM 667 N GLY A 44 19.876 -6.895 -5.890 1.00 13.22 N ATOM 668 CA GLY A 44 20.683 -7.059 -4.695 1.00 70.01 C ATOM 669 C GLY A 44 20.365 -6.025 -3.633 1.00 54.05 C ATOM 670 O GLY A 44 19.853 -6.344 -2.560 1.00 3.53 O ATOM 0 H GLY A 44 20.394 -6.944 -6.767 1.00 13.22 H new ATOM 0 HA2 GLY A 44 20.522 -8.056 -4.286 1.00 70.01 H new ATOM 0 HA3 GLY A 44 21.738 -6.990 -4.961 1.00 70.01 H new ATOM 674 N PRO A 45 20.672 -4.753 -3.930 1.00 34.34 N ATOM 675 CA PRO A 45 20.425 -3.643 -3.005 1.00 34.35 C ATOM 676 C PRO A 45 18.938 -3.348 -2.837 1.00 30.32 C ATOM 677 O PRO A 45 18.523 -2.741 -1.849 1.00 43.34 O ATOM 678 CB PRO A 45 21.132 -2.461 -3.672 1.00 24.33 C ATOM 679 CG PRO A 45 21.158 -2.804 -5.121 1.00 73.23 C ATOM 680 CD PRO A 45 21.283 -4.301 -5.191 1.00 31.14 C ATOM 0 HA PRO A 45 20.787 -3.862 -2.000 1.00 34.35 H new ATOM 0 HB2 PRO A 45 20.596 -1.528 -3.496 1.00 24.33 H new ATOM 0 HB3 PRO A 45 22.140 -2.329 -3.278 1.00 24.33 H new ATOM 0 HG2 PRO A 45 20.249 -2.465 -5.619 1.00 73.23 H new ATOM 0 HG3 PRO A 45 21.996 -2.319 -5.622 1.00 73.23 H new ATOM 0 HD2 PRO A 45 20.763 -4.708 -6.058 1.00 31.14 H new ATOM 0 HD3 PRO A 45 22.324 -4.614 -5.268 1.00 31.14 H new ATOM 688 N TYR A 46 18.141 -3.782 -3.806 1.00 75.34 N ATOM 689 CA TYR A 46 16.700 -3.563 -3.767 1.00 14.34 C ATOM 690 C TYR A 46 15.987 -4.739 -3.106 1.00 63.00 C ATOM 691 O TYR A 46 14.894 -5.126 -3.517 1.00 13.35 O ATOM 692 CB TYR A 46 16.156 -3.351 -5.181 1.00 34.55 C ATOM 693 CG TYR A 46 16.473 -1.989 -5.754 1.00 63.13 C ATOM 694 CD1 TYR A 46 16.274 -0.835 -5.006 1.00 72.14 C ATOM 695 CD2 TYR A 46 16.972 -1.856 -7.044 1.00 52.52 C ATOM 696 CE1 TYR A 46 16.562 0.412 -5.527 1.00 31.15 C ATOM 697 CE2 TYR A 46 17.264 -0.613 -7.572 1.00 0.21 C ATOM 698 CZ TYR A 46 17.057 0.518 -6.809 1.00 62.24 C ATOM 699 OH TYR A 46 17.346 1.758 -7.332 1.00 72.40 O ATOM 0 H TYR A 46 18.468 -4.288 -4.629 1.00 75.34 H new ATOM 0 HA TYR A 46 16.511 -2.668 -3.174 1.00 14.34 H new ATOM 0 HB2 TYR A 46 16.568 -4.117 -5.838 1.00 34.55 H new ATOM 0 HB3 TYR A 46 15.075 -3.488 -5.170 1.00 34.55 H new ATOM 0 HD1 TYR A 46 15.888 -0.914 -4.001 1.00 72.14 H new ATOM 0 HD2 TYR A 46 17.134 -2.739 -7.644 1.00 52.52 H new ATOM 0 HE1 TYR A 46 16.400 1.299 -4.933 1.00 31.15 H new ATOM 0 HE2 TYR A 46 17.652 -0.527 -8.576 1.00 0.21 H new ATOM 0 HH TYR A 46 17.687 1.657 -8.245 1.00 72.40 H new ATOM 709 N GLU A 47 16.617 -5.303 -2.080 1.00 13.23 N ATOM 710 CA GLU A 47 16.044 -6.435 -1.362 1.00 35.23 C ATOM 711 C GLU A 47 15.270 -5.965 -0.133 1.00 21.40 C ATOM 712 O GLU A 47 14.240 -6.539 0.222 1.00 4.03 O ATOM 713 CB GLU A 47 17.144 -7.412 -0.942 1.00 43.34 C ATOM 714 CG GLU A 47 17.470 -8.453 -2.000 1.00 41.54 C ATOM 715 CD GLU A 47 18.060 -9.719 -1.411 1.00 33.13 C ATOM 716 OE1 GLU A 47 19.108 -10.175 -1.914 1.00 72.01 O ATOM 717 OE2 GLU A 47 17.473 -10.254 -0.447 1.00 25.22 O ATOM 0 H GLU A 47 17.523 -4.995 -1.728 1.00 13.23 H new ATOM 0 HA GLU A 47 15.353 -6.945 -2.033 1.00 35.23 H new ATOM 0 HB2 GLU A 47 18.048 -6.849 -0.707 1.00 43.34 H new ATOM 0 HB3 GLU A 47 16.838 -7.919 -0.027 1.00 43.34 H new ATOM 0 HG2 GLU A 47 16.563 -8.702 -2.551 1.00 41.54 H new ATOM 0 HG3 GLU A 47 18.173 -8.029 -2.717 1.00 41.54 H new ATOM 724 N ASP A 48 15.774 -4.919 0.512 1.00 45.05 N ATOM 725 CA ASP A 48 15.132 -4.371 1.700 1.00 12.23 C ATOM 726 C ASP A 48 13.910 -3.539 1.323 1.00 72.21 C ATOM 727 O ASP A 48 12.778 -3.889 1.660 1.00 23.14 O ATOM 728 CB ASP A 48 16.122 -3.515 2.492 1.00 34.14 C ATOM 729 CG ASP A 48 17.460 -4.202 2.679 1.00 3.43 C ATOM 730 OD1 ASP A 48 18.499 -3.532 2.504 1.00 25.03 O ATOM 731 OD2 ASP A 48 17.469 -5.409 3.000 1.00 52.13 O ATOM 0 H ASP A 48 16.626 -4.433 0.232 1.00 45.05 H new ATOM 0 HA ASP A 48 14.804 -5.204 2.322 1.00 12.23 H new ATOM 0 HB2 ASP A 48 16.273 -2.567 1.976 1.00 34.14 H new ATOM 0 HB3 ASP A 48 15.697 -3.282 3.468 1.00 34.14 H new ATOM 736 N THR A 49 14.145 -2.435 0.621 1.00 4.00 N ATOM 737 CA THR A 49 13.065 -1.552 0.200 1.00 61.14 C ATOM 738 C THR A 49 11.968 -2.330 -0.517 1.00 55.14 C ATOM 739 O THR A 49 10.780 -2.103 -0.286 1.00 44.20 O ATOM 740 CB THR A 49 13.581 -0.438 -0.731 1.00 13.13 C ATOM 741 OG1 THR A 49 12.479 0.317 -1.248 1.00 63.22 O ATOM 742 CG2 THR A 49 14.386 -1.023 -1.881 1.00 1.00 C ATOM 0 H THR A 49 15.075 -2.131 0.332 1.00 4.00 H new ATOM 0 HA THR A 49 12.655 -1.100 1.103 1.00 61.14 H new ATOM 0 HB THR A 49 14.231 0.218 -0.151 1.00 13.13 H new ATOM 0 HG1 THR A 49 12.263 0.004 -2.151 1.00 63.22 H new ATOM 0 HG21 THR A 49 14.740 -0.217 -2.524 1.00 1.00 H new ATOM 0 HG22 THR A 49 15.240 -1.572 -1.485 1.00 1.00 H new ATOM 0 HG23 THR A 49 13.756 -1.699 -2.459 1.00 1.00 H new ATOM 750 N ALA A 50 12.372 -3.249 -1.388 1.00 41.44 N ATOM 751 CA ALA A 50 11.422 -4.062 -2.137 1.00 42.02 C ATOM 752 C ALA A 50 10.935 -5.243 -1.305 1.00 13.13 C ATOM 753 O ALA A 50 11.693 -5.820 -0.525 1.00 70.45 O ATOM 754 CB ALA A 50 12.053 -4.551 -3.433 1.00 33.54 C ATOM 0 H ALA A 50 13.351 -3.449 -1.592 1.00 41.44 H new ATOM 0 HA ALA A 50 10.559 -3.440 -2.377 1.00 42.02 H new ATOM 0 HB1 ALA A 50 11.333 -5.157 -3.982 1.00 33.54 H new ATOM 0 HB2 ALA A 50 12.346 -3.695 -4.041 1.00 33.54 H new ATOM 0 HB3 ALA A 50 12.933 -5.152 -3.205 1.00 33.54 H new ATOM 760 N ASP A 51 9.665 -5.596 -1.474 1.00 64.11 N ATOM 761 CA ASP A 51 9.077 -6.709 -0.738 1.00 54.12 C ATOM 762 C ASP A 51 8.972 -7.949 -1.620 1.00 52.04 C ATOM 763 O ASP A 51 9.552 -8.992 -1.316 1.00 0.15 O ATOM 764 CB ASP A 51 7.693 -6.325 -0.211 1.00 3.52 C ATOM 765 CG ASP A 51 7.720 -5.936 1.254 1.00 33.24 C ATOM 766 OD1 ASP A 51 7.570 -4.732 1.552 1.00 30.54 O ATOM 767 OD2 ASP A 51 7.889 -6.836 2.103 1.00 22.03 O ATOM 0 H ASP A 51 9.024 -5.128 -2.114 1.00 64.11 H new ATOM 0 HA ASP A 51 9.728 -6.939 0.105 1.00 54.12 H new ATOM 0 HB2 ASP A 51 7.302 -5.494 -0.798 1.00 3.52 H new ATOM 0 HB3 ASP A 51 7.009 -7.163 -0.349 1.00 3.52 H new ATOM 772 N LEU A 52 8.228 -7.829 -2.714 1.00 74.13 N ATOM 773 CA LEU A 52 8.045 -8.941 -3.641 1.00 44.22 C ATOM 774 C LEU A 52 9.019 -8.840 -4.811 1.00 3.12 C ATOM 775 O LEU A 52 9.234 -7.760 -5.363 1.00 12.23 O ATOM 776 CB LEU A 52 6.607 -8.966 -4.161 1.00 60.43 C ATOM 777 CG LEU A 52 6.002 -10.351 -4.395 1.00 23.21 C ATOM 778 CD1 LEU A 52 6.770 -11.093 -5.478 1.00 24.45 C ATOM 779 CD2 LEU A 52 5.991 -11.153 -3.102 1.00 33.23 C ATOM 0 H LEU A 52 7.742 -6.973 -2.981 1.00 74.13 H new ATOM 0 HA LEU A 52 8.246 -9.867 -3.103 1.00 44.22 H new ATOM 0 HB2 LEU A 52 5.976 -8.431 -3.451 1.00 60.43 H new ATOM 0 HB3 LEU A 52 6.571 -8.413 -5.099 1.00 60.43 H new ATOM 0 HG LEU A 52 4.972 -10.225 -4.730 1.00 23.21 H new ATOM 0 HD11 LEU A 52 6.325 -12.076 -5.631 1.00 24.45 H new ATOM 0 HD12 LEU A 52 6.726 -10.526 -6.408 1.00 24.45 H new ATOM 0 HD13 LEU A 52 7.810 -11.209 -5.172 1.00 24.45 H new ATOM 0 HD21 LEU A 52 5.557 -12.136 -3.287 1.00 33.23 H new ATOM 0 HD22 LEU A 52 7.012 -11.270 -2.738 1.00 33.23 H new ATOM 0 HD23 LEU A 52 5.396 -10.629 -2.354 1.00 33.23 H new ATOM 791 N LEU A 53 9.605 -9.972 -5.185 1.00 51.14 N ATOM 792 CA LEU A 53 10.555 -10.012 -6.292 1.00 30.02 C ATOM 793 C LEU A 53 10.161 -11.077 -7.310 1.00 34.32 C ATOM 794 O LEU A 53 10.122 -12.267 -6.996 1.00 30.11 O ATOM 795 CB LEU A 53 11.966 -10.288 -5.769 1.00 13.23 C ATOM 796 CG LEU A 53 12.996 -10.721 -6.812 1.00 72.24 C ATOM 797 CD1 LEU A 53 13.155 -9.652 -7.882 1.00 1.54 C ATOM 798 CD2 LEU A 53 14.333 -11.019 -6.150 1.00 60.32 C ATOM 0 H LEU A 53 9.439 -10.874 -4.738 1.00 51.14 H new ATOM 0 HA LEU A 53 10.540 -9.040 -6.786 1.00 30.02 H new ATOM 0 HB2 LEU A 53 12.333 -9.386 -5.278 1.00 13.23 H new ATOM 0 HB3 LEU A 53 11.904 -11.064 -5.006 1.00 13.23 H new ATOM 0 HG LEU A 53 12.639 -11.633 -7.290 1.00 72.24 H new ATOM 0 HD11 LEU A 53 13.892 -9.978 -8.616 1.00 1.54 H new ATOM 0 HD12 LEU A 53 12.198 -9.488 -8.378 1.00 1.54 H new ATOM 0 HD13 LEU A 53 13.489 -8.722 -7.421 1.00 1.54 H new ATOM 0 HD21 LEU A 53 15.054 -11.326 -6.908 1.00 60.32 H new ATOM 0 HD22 LEU A 53 14.696 -10.124 -5.645 1.00 60.32 H new ATOM 0 HD23 LEU A 53 14.208 -11.821 -5.422 1.00 60.32 H new ATOM 810 N VAL A 54 9.870 -10.642 -8.532 1.00 22.12 N ATOM 811 CA VAL A 54 9.482 -11.558 -9.598 1.00 21.35 C ATOM 812 C VAL A 54 10.537 -11.600 -10.698 1.00 14.23 C ATOM 813 O VAL A 54 10.736 -10.622 -11.420 1.00 25.34 O ATOM 814 CB VAL A 54 8.128 -11.160 -10.214 1.00 71.43 C ATOM 815 CG1 VAL A 54 7.747 -12.120 -11.331 1.00 30.40 C ATOM 816 CG2 VAL A 54 7.047 -11.118 -9.144 1.00 64.43 C ATOM 0 H VAL A 54 9.896 -9.660 -8.808 1.00 22.12 H new ATOM 0 HA VAL A 54 9.391 -12.547 -9.149 1.00 21.35 H new ATOM 0 HB VAL A 54 8.222 -10.162 -10.641 1.00 71.43 H new ATOM 0 HG11 VAL A 54 6.787 -11.823 -11.754 1.00 30.40 H new ATOM 0 HG12 VAL A 54 8.510 -12.095 -12.109 1.00 30.40 H new ATOM 0 HG13 VAL A 54 7.670 -13.131 -10.931 1.00 30.40 H new ATOM 0 HG21 VAL A 54 6.097 -10.835 -9.597 1.00 64.43 H new ATOM 0 HG22 VAL A 54 6.951 -12.102 -8.685 1.00 64.43 H new ATOM 0 HG23 VAL A 54 7.317 -10.387 -8.382 1.00 64.43 H new ATOM 826 N THR A 55 11.210 -12.739 -10.821 1.00 64.35 N ATOM 827 CA THR A 55 12.245 -12.909 -11.833 1.00 65.13 C ATOM 828 C THR A 55 12.372 -14.370 -12.251 1.00 11.32 C ATOM 829 O THR A 55 12.229 -15.276 -11.430 1.00 32.25 O ATOM 830 CB THR A 55 13.613 -12.411 -11.327 1.00 74.43 C ATOM 831 OG1 THR A 55 14.614 -12.632 -12.326 1.00 45.44 O ATOM 832 CG2 THR A 55 14.006 -13.124 -10.042 1.00 11.31 C ATOM 0 H THR A 55 11.057 -13.558 -10.232 1.00 64.35 H new ATOM 0 HA THR A 55 11.945 -12.312 -12.694 1.00 65.13 H new ATOM 0 HB THR A 55 13.534 -11.343 -11.122 1.00 74.43 H new ATOM 0 HG1 THR A 55 15.480 -12.311 -11.998 1.00 45.44 H new ATOM 0 HG21 THR A 55 14.975 -12.756 -9.704 1.00 11.31 H new ATOM 0 HG22 THR A 55 13.256 -12.931 -9.275 1.00 11.31 H new ATOM 0 HG23 THR A 55 14.069 -14.197 -10.226 1.00 11.31 H new ATOM 840 N THR A 56 12.642 -14.593 -13.533 1.00 52.44 N ATOM 841 CA THR A 56 12.787 -15.944 -14.060 1.00 42.32 C ATOM 842 C THR A 56 13.983 -16.652 -13.434 1.00 60.13 C ATOM 843 O THR A 56 13.946 -17.858 -13.194 1.00 73.50 O ATOM 844 CB THR A 56 12.954 -15.935 -15.591 1.00 50.45 C ATOM 845 OG1 THR A 56 14.261 -15.463 -15.939 1.00 73.41 O ATOM 846 CG2 THR A 56 11.901 -15.053 -16.245 1.00 52.13 C ATOM 0 H THR A 56 12.765 -13.855 -14.226 1.00 52.44 H new ATOM 0 HA THR A 56 11.874 -16.483 -13.805 1.00 42.32 H new ATOM 0 HB THR A 56 12.828 -16.955 -15.954 1.00 50.45 H new ATOM 0 HG1 THR A 56 14.360 -15.462 -16.914 1.00 73.41 H new ATOM 0 HG21 THR A 56 12.039 -15.062 -17.326 1.00 52.13 H new ATOM 0 HG22 THR A 56 10.908 -15.431 -16.003 1.00 52.13 H new ATOM 0 HG23 THR A 56 12.001 -14.032 -15.875 1.00 52.13 H new ATOM 854 N ALA A 57 15.043 -15.895 -13.172 1.00 11.51 N ATOM 855 CA ALA A 57 16.249 -16.450 -12.571 1.00 61.10 C ATOM 856 C ALA A 57 16.305 -16.152 -11.077 1.00 4.04 C ATOM 857 O ALA A 57 15.329 -15.685 -10.490 1.00 44.03 O ATOM 858 CB ALA A 57 17.486 -15.902 -13.267 1.00 61.34 C ATOM 0 H ALA A 57 15.091 -14.895 -13.367 1.00 11.51 H new ATOM 0 HA ALA A 57 16.223 -17.532 -12.698 1.00 61.10 H new ATOM 0 HB1 ALA A 57 18.379 -16.325 -12.808 1.00 61.34 H new ATOM 0 HB2 ALA A 57 17.459 -16.171 -14.323 1.00 61.34 H new ATOM 0 HB3 ALA A 57 17.507 -14.817 -13.170 1.00 61.34 H new ATOM 864 N MET A 58 17.454 -16.426 -10.466 1.00 53.32 N ATOM 865 CA MET A 58 17.636 -16.186 -9.039 1.00 44.13 C ATOM 866 C MET A 58 19.114 -16.017 -8.701 1.00 42.23 C ATOM 867 O MET A 58 19.983 -16.214 -9.551 1.00 41.25 O ATOM 868 CB MET A 58 17.044 -17.339 -8.227 1.00 11.23 C ATOM 869 CG MET A 58 17.836 -18.631 -8.339 1.00 21.23 C ATOM 870 SD MET A 58 17.080 -19.991 -7.427 1.00 1.44 S ATOM 871 CE MET A 58 18.294 -20.248 -6.135 1.00 14.44 C ATOM 0 H MET A 58 18.272 -16.814 -10.936 1.00 53.32 H new ATOM 0 HA MET A 58 17.114 -15.264 -8.781 1.00 44.13 H new ATOM 0 HB2 MET A 58 16.991 -17.045 -7.179 1.00 11.23 H new ATOM 0 HB3 MET A 58 16.022 -17.519 -8.559 1.00 11.23 H new ATOM 0 HG2 MET A 58 17.925 -18.908 -9.389 1.00 21.23 H new ATOM 0 HG3 MET A 58 18.847 -18.466 -7.966 1.00 21.23 H new ATOM 0 HE1 MET A 58 17.968 -21.061 -5.486 1.00 14.44 H new ATOM 0 HE2 MET A 58 19.254 -20.504 -6.583 1.00 14.44 H new ATOM 0 HE3 MET A 58 18.400 -19.335 -5.548 1.00 14.44 H new ATOM 881 N THR A 59 19.393 -15.650 -7.454 1.00 64.22 N ATOM 882 CA THR A 59 20.766 -15.453 -7.005 1.00 33.34 C ATOM 883 C THR A 59 21.233 -16.618 -6.140 1.00 25.22 C ATOM 884 O THR A 59 20.519 -17.607 -5.973 1.00 23.15 O ATOM 885 CB THR A 59 20.913 -14.144 -6.206 1.00 33.41 C ATOM 886 OG1 THR A 59 20.119 -14.205 -5.016 1.00 14.21 O ATOM 887 CG2 THR A 59 20.489 -12.948 -7.044 1.00 73.25 C ATOM 0 H THR A 59 18.687 -15.483 -6.737 1.00 64.22 H new ATOM 0 HA THR A 59 21.387 -15.396 -7.899 1.00 33.34 H new ATOM 0 HB THR A 59 21.962 -14.024 -5.936 1.00 33.41 H new ATOM 0 HG1 THR A 59 19.194 -13.959 -5.227 1.00 14.21 H new ATOM 0 HG21 THR A 59 20.602 -12.035 -6.459 1.00 73.25 H new ATOM 0 HG22 THR A 59 21.115 -12.887 -7.934 1.00 73.25 H new ATOM 0 HG23 THR A 59 19.446 -13.063 -7.340 1.00 73.25 H new ATOM 895 N LYS A 60 22.437 -16.496 -5.591 1.00 43.50 N ATOM 896 CA LYS A 60 23.001 -17.537 -4.741 1.00 31.41 C ATOM 897 C LYS A 60 22.789 -17.210 -3.266 1.00 72.32 C ATOM 898 O LYS A 60 22.552 -18.101 -2.450 1.00 13.12 O ATOM 899 CB LYS A 60 24.495 -17.705 -5.027 1.00 71.22 C ATOM 900 CG LYS A 60 25.013 -19.106 -4.751 1.00 45.04 C ATOM 901 CD LYS A 60 25.495 -19.250 -3.317 1.00 73.14 C ATOM 902 CE LYS A 60 26.904 -18.703 -3.145 1.00 35.54 C ATOM 903 NZ LYS A 60 27.227 -18.446 -1.714 1.00 21.41 N ATOM 0 H LYS A 60 23.042 -15.685 -5.720 1.00 43.50 H new ATOM 0 HA LYS A 60 22.487 -18.472 -4.966 1.00 31.41 H new ATOM 0 HB2 LYS A 60 24.687 -17.455 -6.070 1.00 71.22 H new ATOM 0 HB3 LYS A 60 25.055 -16.993 -4.420 1.00 71.22 H new ATOM 0 HG2 LYS A 60 24.223 -19.832 -4.945 1.00 45.04 H new ATOM 0 HG3 LYS A 60 25.830 -19.334 -5.435 1.00 45.04 H new ATOM 0 HD2 LYS A 60 24.815 -18.722 -2.649 1.00 73.14 H new ATOM 0 HD3 LYS A 60 25.474 -20.301 -3.029 1.00 73.14 H new ATOM 0 HE2 LYS A 60 27.622 -19.412 -3.558 1.00 35.54 H new ATOM 0 HE3 LYS A 60 27.007 -17.778 -3.713 1.00 35.54 H new ATOM 0 HZ1 LYS A 60 28.195 -18.074 -1.638 1.00 21.41 H new ATOM 0 HZ2 LYS A 60 26.558 -17.751 -1.326 1.00 21.41 H new ATOM 0 HZ3 LYS A 60 27.154 -19.334 -1.177 1.00 21.41 H new ATOM 917 N LYS A 61 22.874 -15.927 -2.931 1.00 70.42 N ATOM 918 CA LYS A 61 22.689 -15.481 -1.555 1.00 73.45 C ATOM 919 C LYS A 61 21.334 -15.929 -1.016 1.00 61.50 C ATOM 920 O LYS A 61 20.543 -16.542 -1.732 1.00 51.45 O ATOM 921 CB LYS A 61 22.804 -13.958 -1.472 1.00 3.34 C ATOM 922 CG LYS A 61 24.215 -13.442 -1.694 1.00 43.44 C ATOM 923 CD LYS A 61 24.211 -12.020 -2.231 1.00 72.12 C ATOM 924 CE LYS A 61 24.071 -11.001 -1.110 1.00 60.53 C ATOM 925 NZ LYS A 61 22.649 -10.804 -0.715 1.00 1.23 N ATOM 0 H LYS A 61 23.070 -15.177 -3.594 1.00 70.42 H new ATOM 0 HA LYS A 61 23.471 -15.932 -0.944 1.00 73.45 H new ATOM 0 HB2 LYS A 61 22.142 -13.511 -2.213 1.00 3.34 H new ATOM 0 HB3 LYS A 61 22.455 -13.628 -0.493 1.00 3.34 H new ATOM 0 HG2 LYS A 61 24.768 -13.476 -0.755 1.00 43.44 H new ATOM 0 HG3 LYS A 61 24.736 -14.095 -2.394 1.00 43.44 H new ATOM 0 HD2 LYS A 61 25.135 -11.835 -2.779 1.00 72.12 H new ATOM 0 HD3 LYS A 61 23.390 -11.899 -2.938 1.00 72.12 H new ATOM 0 HE2 LYS A 61 24.646 -11.331 -0.245 1.00 60.53 H new ATOM 0 HE3 LYS A 61 24.495 -10.049 -1.430 1.00 60.53 H new ATOM 0 HZ1 LYS A 61 22.530 -9.854 -0.308 1.00 1.23 H new ATOM 0 HZ2 LYS A 61 22.040 -10.900 -1.552 1.00 1.23 H new ATOM 0 HZ3 LYS A 61 22.383 -11.519 -0.009 1.00 1.23 H new ATOM 939 N GLU A 62 21.074 -15.619 0.250 1.00 2.22 N ATOM 940 CA GLU A 62 19.814 -15.990 0.884 1.00 43.22 C ATOM 941 C GLU A 62 18.808 -14.845 0.805 1.00 60.30 C ATOM 942 O GLU A 62 18.931 -13.847 1.514 1.00 15.55 O ATOM 943 CB GLU A 62 20.048 -16.378 2.345 1.00 31.32 C ATOM 944 CG GLU A 62 18.906 -17.176 2.953 1.00 64.22 C ATOM 945 CD GLU A 62 19.083 -17.406 4.441 1.00 32.12 C ATOM 946 OE1 GLU A 62 19.305 -18.568 4.840 1.00 34.25 O ATOM 947 OE2 GLU A 62 18.999 -16.423 5.207 1.00 40.23 O ATOM 0 H GLU A 62 21.719 -15.112 0.857 1.00 2.22 H new ATOM 0 HA GLU A 62 19.406 -16.847 0.349 1.00 43.22 H new ATOM 0 HB2 GLU A 62 20.966 -16.962 2.415 1.00 31.32 H new ATOM 0 HB3 GLU A 62 20.201 -15.473 2.933 1.00 31.32 H new ATOM 0 HG2 GLU A 62 17.967 -16.650 2.780 1.00 64.22 H new ATOM 0 HG3 GLU A 62 18.830 -18.138 2.447 1.00 64.22 H new ATOM 954 N TYR A 63 17.814 -14.998 -0.063 1.00 21.41 N ATOM 955 CA TYR A 63 16.788 -13.977 -0.238 1.00 30.45 C ATOM 956 C TYR A 63 15.995 -13.776 1.050 1.00 1.03 C ATOM 957 O TYR A 63 15.992 -14.634 1.933 1.00 63.31 O ATOM 958 CB TYR A 63 15.843 -14.364 -1.376 1.00 52.03 C ATOM 959 CG TYR A 63 16.325 -13.923 -2.740 1.00 25.42 C ATOM 960 CD1 TYR A 63 16.456 -14.835 -3.780 1.00 63.40 C ATOM 961 CD2 TYR A 63 16.652 -12.596 -2.988 1.00 14.12 C ATOM 962 CE1 TYR A 63 16.898 -14.438 -5.027 1.00 54.33 C ATOM 963 CE2 TYR A 63 17.092 -12.189 -4.232 1.00 61.02 C ATOM 964 CZ TYR A 63 17.214 -13.114 -5.249 1.00 13.54 C ATOM 965 OH TYR A 63 17.654 -12.712 -6.489 1.00 74.42 O ATOM 0 H TYR A 63 17.697 -15.819 -0.656 1.00 21.41 H new ATOM 0 HA TYR A 63 17.283 -13.039 -0.489 1.00 30.45 H new ATOM 0 HB2 TYR A 63 15.714 -15.446 -1.378 1.00 52.03 H new ATOM 0 HB3 TYR A 63 14.863 -13.927 -1.187 1.00 52.03 H new ATOM 0 HD1 TYR A 63 16.208 -15.872 -3.610 1.00 63.40 H new ATOM 0 HD2 TYR A 63 16.561 -11.870 -2.194 1.00 14.12 H new ATOM 0 HE1 TYR A 63 16.996 -15.160 -5.824 1.00 54.33 H new ATOM 0 HE2 TYR A 63 17.339 -11.153 -4.408 1.00 61.02 H new ATOM 0 HH TYR A 63 17.832 -11.748 -6.476 1.00 74.42 H new ATOM 975 N LYS A 64 15.322 -12.635 1.150 1.00 0.34 N ATOM 976 CA LYS A 64 14.523 -12.318 2.328 1.00 74.20 C ATOM 977 C LYS A 64 13.053 -12.143 1.957 1.00 24.02 C ATOM 978 O LYS A 64 12.355 -11.304 2.527 1.00 71.14 O ATOM 979 CB LYS A 64 15.046 -11.046 2.998 1.00 53.41 C ATOM 980 CG LYS A 64 16.492 -11.147 3.450 1.00 1.13 C ATOM 981 CD LYS A 64 16.596 -11.676 4.871 1.00 43.20 C ATOM 982 CE LYS A 64 16.859 -13.174 4.890 1.00 4.21 C ATOM 983 NZ LYS A 64 18.313 -13.483 4.794 1.00 10.15 N ATOM 0 H LYS A 64 15.314 -11.914 0.429 1.00 0.34 H new ATOM 0 HA LYS A 64 14.607 -13.150 3.028 1.00 74.20 H new ATOM 0 HB2 LYS A 64 14.949 -10.213 2.302 1.00 53.41 H new ATOM 0 HB3 LYS A 64 14.420 -10.816 3.860 1.00 53.41 H new ATOM 0 HG2 LYS A 64 17.040 -11.804 2.775 1.00 1.13 H new ATOM 0 HG3 LYS A 64 16.962 -10.165 3.391 1.00 1.13 H new ATOM 0 HD2 LYS A 64 17.399 -11.158 5.395 1.00 43.20 H new ATOM 0 HD3 LYS A 64 15.673 -11.461 5.409 1.00 43.20 H new ATOM 0 HE2 LYS A 64 16.457 -13.602 5.808 1.00 4.21 H new ATOM 0 HE3 LYS A 64 16.332 -13.646 4.061 1.00 4.21 H new ATOM 0 HZ1 LYS A 64 18.462 -14.501 4.946 1.00 10.15 H new ATOM 0 HZ2 LYS A 64 18.663 -13.219 3.851 1.00 10.15 H new ATOM 0 HZ3 LYS A 64 18.831 -12.945 5.518 1.00 10.15 H new ATOM 997 N PHE A 65 12.590 -12.941 1.001 1.00 41.34 N ATOM 998 CA PHE A 65 11.203 -12.874 0.554 1.00 4.15 C ATOM 999 C PHE A 65 10.869 -14.049 -0.360 1.00 41.53 C ATOM 1000 O PHE A 65 11.746 -14.669 -0.962 1.00 22.14 O ATOM 1001 CB PHE A 65 10.943 -11.554 -0.175 1.00 62.43 C ATOM 1002 CG PHE A 65 12.065 -11.141 -1.084 1.00 4.41 C ATOM 1003 CD1 PHE A 65 12.759 -9.963 -0.858 1.00 3.15 C ATOM 1004 CD2 PHE A 65 12.426 -11.929 -2.165 1.00 31.12 C ATOM 1005 CE1 PHE A 65 13.793 -9.579 -1.691 1.00 73.35 C ATOM 1006 CE2 PHE A 65 13.459 -11.551 -3.002 1.00 14.12 C ATOM 1007 CZ PHE A 65 14.142 -10.374 -2.766 1.00 0.04 C ATOM 0 H PHE A 65 13.155 -13.642 0.521 1.00 41.34 H new ATOM 0 HA PHE A 65 10.561 -12.927 1.433 1.00 4.15 H new ATOM 0 HB2 PHE A 65 10.027 -11.645 -0.759 1.00 62.43 H new ATOM 0 HB3 PHE A 65 10.775 -10.768 0.561 1.00 62.43 H new ATOM 0 HD1 PHE A 65 12.489 -9.337 -0.020 1.00 3.15 H new ATOM 0 HD2 PHE A 65 11.894 -12.849 -2.356 1.00 31.12 H new ATOM 0 HE1 PHE A 65 14.327 -8.659 -1.502 1.00 73.35 H new ATOM 0 HE2 PHE A 65 13.732 -12.176 -3.840 1.00 14.12 H new ATOM 0 HZ PHE A 65 14.948 -10.075 -3.421 1.00 0.04 H new ATOM 1017 N PRO A 66 9.570 -14.362 -0.468 1.00 74.54 N ATOM 1018 CA PRO A 66 9.088 -15.464 -1.307 1.00 65.14 C ATOM 1019 C PRO A 66 9.242 -15.169 -2.796 1.00 33.15 C ATOM 1020 O PRO A 66 8.310 -14.692 -3.443 1.00 40.33 O ATOM 1021 CB PRO A 66 7.608 -15.574 -0.934 1.00 21.13 C ATOM 1022 CG PRO A 66 7.239 -14.216 -0.446 1.00 14.11 C ATOM 1023 CD PRO A 66 8.470 -13.666 0.220 1.00 53.24 C ATOM 0 HA PRO A 66 9.653 -16.381 -1.139 1.00 65.14 H new ATOM 0 HB2 PRO A 66 7.004 -15.864 -1.794 1.00 21.13 H new ATOM 0 HB3 PRO A 66 7.449 -16.328 -0.164 1.00 21.13 H new ATOM 0 HG2 PRO A 66 6.923 -13.577 -1.271 1.00 14.11 H new ATOM 0 HG3 PRO A 66 6.406 -14.266 0.255 1.00 14.11 H new ATOM 0 HD2 PRO A 66 8.542 -12.585 0.101 1.00 53.24 H new ATOM 0 HD3 PRO A 66 8.473 -13.870 1.291 1.00 53.24 H new ATOM 1031 N VAL A 67 10.423 -15.457 -3.333 1.00 2.14 N ATOM 1032 CA VAL A 67 10.698 -15.224 -4.745 1.00 52.24 C ATOM 1033 C VAL A 67 9.764 -16.043 -5.629 1.00 64.42 C ATOM 1034 O VAL A 67 9.374 -17.156 -5.273 1.00 54.51 O ATOM 1035 CB VAL A 67 12.157 -15.570 -5.098 1.00 74.32 C ATOM 1036 CG1 VAL A 67 12.444 -15.251 -6.557 1.00 54.43 C ATOM 1037 CG2 VAL A 67 13.117 -14.827 -4.182 1.00 52.21 C ATOM 0 H VAL A 67 11.205 -15.852 -2.811 1.00 2.14 H new ATOM 0 HA VAL A 67 10.530 -14.163 -4.929 1.00 52.24 H new ATOM 0 HB VAL A 67 12.304 -16.640 -4.950 1.00 74.32 H new ATOM 0 HG11 VAL A 67 13.479 -15.502 -6.787 1.00 54.43 H new ATOM 0 HG12 VAL A 67 11.779 -15.833 -7.194 1.00 54.43 H new ATOM 0 HG13 VAL A 67 12.280 -14.188 -6.736 1.00 54.43 H new ATOM 0 HG21 VAL A 67 14.143 -15.083 -4.446 1.00 52.21 H new ATOM 0 HG22 VAL A 67 12.971 -13.753 -4.296 1.00 52.21 H new ATOM 0 HG23 VAL A 67 12.926 -15.112 -3.147 1.00 52.21 H new ATOM 1047 N ILE A 68 9.411 -15.487 -6.783 1.00 20.10 N ATOM 1048 CA ILE A 68 8.524 -16.168 -7.719 1.00 5.53 C ATOM 1049 C ILE A 68 9.106 -16.164 -9.128 1.00 61.34 C ATOM 1050 O ILE A 68 9.515 -15.123 -9.640 1.00 11.34 O ATOM 1051 CB ILE A 68 7.130 -15.514 -7.749 1.00 60.44 C ATOM 1052 CG1 ILE A 68 6.503 -15.533 -6.354 1.00 22.42 C ATOM 1053 CG2 ILE A 68 6.233 -16.229 -8.749 1.00 15.32 C ATOM 1054 CD1 ILE A 68 5.965 -14.190 -5.915 1.00 1.43 C ATOM 0 H ILE A 68 9.725 -14.567 -7.092 1.00 20.10 H new ATOM 0 HA ILE A 68 8.426 -17.197 -7.372 1.00 5.53 H new ATOM 0 HB ILE A 68 7.238 -14.476 -8.063 1.00 60.44 H new ATOM 0 HG12 ILE A 68 5.693 -16.262 -6.338 1.00 22.42 H new ATOM 0 HG13 ILE A 68 7.249 -15.869 -5.634 1.00 22.42 H new ATOM 0 HG21 ILE A 68 5.251 -15.756 -8.760 1.00 15.32 H new ATOM 0 HG22 ILE A 68 6.676 -16.168 -9.743 1.00 15.32 H new ATOM 0 HG23 ILE A 68 6.129 -17.275 -8.461 1.00 15.32 H new ATOM 0 HD11 ILE A 68 5.535 -14.279 -4.917 1.00 1.43 H new ATOM 0 HD12 ILE A 68 6.775 -13.461 -5.898 1.00 1.43 H new ATOM 0 HD13 ILE A 68 5.196 -13.860 -6.613 1.00 1.43 H new ATOM 1066 N ASN A 69 9.138 -17.338 -9.752 1.00 42.40 N ATOM 1067 CA ASN A 69 9.669 -17.470 -11.104 1.00 75.21 C ATOM 1068 C ASN A 69 8.580 -17.216 -12.143 1.00 21.53 C ATOM 1069 O ASN A 69 7.541 -17.876 -12.141 1.00 50.34 O ATOM 1070 CB ASN A 69 10.266 -18.864 -11.305 1.00 62.24 C ATOM 1071 CG ASN A 69 9.216 -19.957 -11.253 1.00 12.34 C ATOM 1072 OD1 ASN A 69 8.614 -20.304 -12.269 1.00 13.12 O ATOM 1073 ND2 ASN A 69 8.991 -20.504 -10.064 1.00 31.21 N ATOM 0 H ASN A 69 8.803 -18.210 -9.343 1.00 42.40 H new ATOM 0 HA ASN A 69 10.453 -16.724 -11.235 1.00 75.21 H new ATOM 0 HB2 ASN A 69 10.778 -18.902 -12.267 1.00 62.24 H new ATOM 0 HB3 ASN A 69 11.017 -19.049 -10.537 1.00 62.24 H new ATOM 0 HD21 ASN A 69 8.295 -21.243 -9.966 1.00 31.21 H new ATOM 0 HD22 ASN A 69 9.514 -20.185 -9.249 1.00 31.21 H new ATOM 1080 N ALA A 70 8.827 -16.257 -13.028 1.00 42.14 N ATOM 1081 CA ALA A 70 7.870 -15.918 -14.074 1.00 41.31 C ATOM 1082 C ALA A 70 8.193 -16.650 -15.372 1.00 74.40 C ATOM 1083 O ALA A 70 8.157 -16.063 -16.453 1.00 54.51 O ATOM 1084 CB ALA A 70 7.852 -14.414 -14.305 1.00 52.02 C ATOM 0 H ALA A 70 9.682 -15.701 -13.042 1.00 42.14 H new ATOM 0 HA ALA A 70 6.881 -16.236 -13.744 1.00 41.31 H new ATOM 0 HB1 ALA A 70 7.133 -14.175 -15.089 1.00 52.02 H new ATOM 0 HB2 ALA A 70 7.566 -13.908 -13.383 1.00 52.02 H new ATOM 0 HB3 ALA A 70 8.844 -14.081 -14.609 1.00 52.02 H new ATOM 1090 N ARG A 71 8.508 -17.936 -15.258 1.00 23.35 N ATOM 1091 CA ARG A 71 8.839 -18.748 -16.422 1.00 61.42 C ATOM 1092 C ARG A 71 7.660 -18.818 -17.389 1.00 24.53 C ATOM 1093 O ARG A 71 7.838 -18.763 -18.605 1.00 22.23 O ATOM 1094 CB ARG A 71 9.242 -20.159 -15.989 1.00 73.21 C ATOM 1095 CG ARG A 71 10.335 -20.183 -14.933 1.00 34.50 C ATOM 1096 CD ARG A 71 11.585 -19.460 -15.408 1.00 53.33 C ATOM 1097 NE ARG A 71 12.801 -20.046 -14.852 1.00 43.03 N ATOM 1098 CZ ARG A 71 13.260 -21.246 -15.190 1.00 52.14 C ATOM 1099 NH1 ARG A 71 12.607 -21.983 -16.078 1.00 54.11 N ATOM 1100 NH2 ARG A 71 14.374 -21.711 -14.641 1.00 5.33 N ATOM 0 H ARG A 71 8.541 -18.438 -14.371 1.00 23.35 H new ATOM 0 HA ARG A 71 9.679 -18.279 -16.934 1.00 61.42 H new ATOM 0 HB2 ARG A 71 8.364 -20.676 -15.603 1.00 73.21 H new ATOM 0 HB3 ARG A 71 9.581 -20.715 -16.863 1.00 73.21 H new ATOM 0 HG2 ARG A 71 9.969 -19.716 -14.018 1.00 34.50 H new ATOM 0 HG3 ARG A 71 10.582 -21.216 -14.687 1.00 34.50 H new ATOM 0 HD2 ARG A 71 11.631 -19.493 -16.496 1.00 53.33 H new ATOM 0 HD3 ARG A 71 11.526 -18.409 -15.124 1.00 53.33 H new ATOM 0 HE ARG A 71 13.327 -19.504 -14.166 1.00 43.03 H new ATOM 0 HH11 ARG A 71 11.750 -21.629 -16.503 1.00 54.11 H new ATOM 0 HH12 ARG A 71 12.962 -22.904 -16.336 1.00 54.11 H new ATOM 0 HH21 ARG A 71 14.880 -21.147 -13.958 1.00 5.33 H new ATOM 0 HH22 ARG A 71 14.725 -22.633 -14.902 1.00 5.33 H new ATOM 1114 N ASN A 72 6.457 -18.941 -16.838 1.00 51.03 N ATOM 1115 CA ASN A 72 5.249 -19.020 -17.652 1.00 11.25 C ATOM 1116 C ASN A 72 5.177 -17.854 -18.634 1.00 23.53 C ATOM 1117 O ASN A 72 4.799 -18.027 -19.792 1.00 74.43 O ATOM 1118 CB ASN A 72 4.007 -19.025 -16.758 1.00 31.30 C ATOM 1119 CG ASN A 72 3.967 -17.837 -15.816 1.00 72.24 C ATOM 1120 OD1 ASN A 72 4.818 -17.698 -14.938 1.00 62.11 O ATOM 1121 ND2 ASN A 72 2.974 -16.973 -15.996 1.00 23.41 N ATOM 0 H ASN A 72 6.292 -18.988 -15.832 1.00 51.03 H new ATOM 0 HA ASN A 72 5.284 -19.949 -18.221 1.00 11.25 H new ATOM 0 HB2 ASN A 72 3.113 -19.020 -17.382 1.00 31.30 H new ATOM 0 HB3 ASN A 72 3.985 -19.947 -16.177 1.00 31.30 H new ATOM 0 HD21 ASN A 72 2.895 -16.154 -15.393 1.00 23.41 H new ATOM 0 HD22 ASN A 72 2.291 -17.129 -16.737 1.00 23.41 H new ATOM 1128 N PHE A 73 5.544 -16.667 -18.162 1.00 63.45 N ATOM 1129 CA PHE A 73 5.522 -15.473 -18.998 1.00 54.35 C ATOM 1130 C PHE A 73 6.342 -15.682 -20.268 1.00 0.30 C ATOM 1131 O PHE A 73 5.995 -15.175 -21.336 1.00 31.22 O ATOM 1132 CB PHE A 73 6.061 -14.270 -18.221 1.00 61.22 C ATOM 1133 CG PHE A 73 5.108 -13.751 -17.183 1.00 20.11 C ATOM 1134 CD1 PHE A 73 4.943 -14.418 -15.980 1.00 3.25 C ATOM 1135 CD2 PHE A 73 4.376 -12.597 -17.411 1.00 4.45 C ATOM 1136 CE1 PHE A 73 4.067 -13.943 -15.022 1.00 3.53 C ATOM 1137 CE2 PHE A 73 3.499 -12.116 -16.456 1.00 65.43 C ATOM 1138 CZ PHE A 73 3.344 -12.791 -15.261 1.00 53.20 C ATOM 0 H PHE A 73 5.860 -16.507 -17.206 1.00 63.45 H new ATOM 0 HA PHE A 73 4.488 -15.279 -19.283 1.00 54.35 H new ATOM 0 HB2 PHE A 73 6.996 -14.550 -17.736 1.00 61.22 H new ATOM 0 HB3 PHE A 73 6.293 -13.469 -18.923 1.00 61.22 H new ATOM 0 HD1 PHE A 73 5.505 -15.320 -15.788 1.00 3.25 H new ATOM 0 HD2 PHE A 73 4.492 -12.067 -18.345 1.00 4.45 H new ATOM 0 HE1 PHE A 73 3.948 -14.472 -14.088 1.00 3.53 H new ATOM 0 HE2 PHE A 73 2.936 -11.214 -16.644 1.00 65.43 H new ATOM 0 HZ PHE A 73 2.658 -12.418 -14.514 1.00 53.20 H new ATOM 1148 N LEU A 74 7.432 -16.430 -20.144 1.00 23.32 N ATOM 1149 CA LEU A 74 8.304 -16.707 -21.280 1.00 40.14 C ATOM 1150 C LEU A 74 7.838 -17.948 -22.034 1.00 64.43 C ATOM 1151 O LEU A 74 7.956 -18.026 -23.258 1.00 31.32 O ATOM 1152 CB LEU A 74 9.747 -16.894 -20.808 1.00 72.30 C ATOM 1153 CG LEU A 74 10.571 -15.617 -20.645 1.00 11.33 C ATOM 1154 CD1 LEU A 74 11.895 -15.919 -19.961 1.00 22.41 C ATOM 1155 CD2 LEU A 74 10.805 -14.957 -21.996 1.00 12.43 C ATOM 0 H LEU A 74 7.734 -16.856 -19.268 1.00 23.32 H new ATOM 0 HA LEU A 74 8.258 -15.854 -21.958 1.00 40.14 H new ATOM 0 HB2 LEU A 74 9.730 -17.416 -19.851 1.00 72.30 H new ATOM 0 HB3 LEU A 74 10.259 -17.544 -21.517 1.00 72.30 H new ATOM 0 HG LEU A 74 10.011 -14.924 -20.017 1.00 11.33 H new ATOM 0 HD11 LEU A 74 12.468 -14.998 -19.854 1.00 22.41 H new ATOM 0 HD12 LEU A 74 11.707 -16.346 -18.976 1.00 22.41 H new ATOM 0 HD13 LEU A 74 12.461 -16.630 -20.562 1.00 22.41 H new ATOM 0 HD21 LEU A 74 11.393 -14.049 -21.861 1.00 12.43 H new ATOM 0 HD22 LEU A 74 11.343 -15.644 -22.648 1.00 12.43 H new ATOM 0 HD23 LEU A 74 9.846 -14.704 -22.448 1.00 12.43 H new ATOM 1167 N THR A 75 7.307 -18.918 -21.296 1.00 60.23 N ATOM 1168 CA THR A 75 6.822 -20.156 -21.894 1.00 44.35 C ATOM 1169 C THR A 75 5.755 -20.807 -21.023 1.00 11.35 C ATOM 1170 O THR A 75 6.040 -21.277 -19.922 1.00 1.51 O ATOM 1171 CB THR A 75 7.970 -21.159 -22.117 1.00 33.22 C ATOM 1172 OG1 THR A 75 7.437 -22.452 -22.424 1.00 31.33 O ATOM 1173 CG2 THR A 75 8.856 -21.250 -20.884 1.00 12.24 C ATOM 0 H THR A 75 7.202 -18.870 -20.283 1.00 60.23 H new ATOM 0 HA THR A 75 6.387 -19.892 -22.858 1.00 44.35 H new ATOM 0 HB THR A 75 8.574 -20.807 -22.953 1.00 33.22 H new ATOM 0 HG1 THR A 75 8.173 -23.084 -22.566 1.00 31.33 H new ATOM 0 HG21 THR A 75 9.659 -21.964 -21.065 1.00 12.24 H new ATOM 0 HG22 THR A 75 9.283 -20.270 -20.670 1.00 12.24 H new ATOM 0 HG23 THR A 75 8.262 -21.581 -20.032 1.00 12.24 H new ATOM 1181 N GLY A 76 4.523 -20.832 -21.522 1.00 50.44 N ATOM 1182 CA GLY A 76 3.431 -21.428 -20.775 1.00 62.23 C ATOM 1183 C GLY A 76 2.119 -20.700 -20.985 1.00 53.42 C ATOM 1184 O GLY A 76 1.058 -21.322 -21.042 1.00 31.20 O ATOM 0 H GLY A 76 4.262 -20.450 -22.431 1.00 50.44 H new ATOM 0 HA2 GLY A 76 3.317 -22.470 -21.074 1.00 62.23 H new ATOM 0 HA3 GLY A 76 3.678 -21.426 -19.713 1.00 62.23 H new ATOM 1188 N ILE A 77 2.189 -19.378 -21.099 1.00 4.40 N ATOM 1189 CA ILE A 77 0.997 -18.564 -21.303 1.00 22.20 C ATOM 1190 C ILE A 77 -0.028 -18.806 -20.200 1.00 53.45 C ATOM 1191 O ILE A 77 -1.137 -19.270 -20.461 1.00 15.33 O ATOM 1192 CB ILE A 77 0.345 -18.854 -22.668 1.00 12.43 C ATOM 1193 CG1 ILE A 77 1.399 -18.830 -23.777 1.00 31.45 C ATOM 1194 CG2 ILE A 77 -0.755 -17.843 -22.954 1.00 13.50 C ATOM 1195 CD1 ILE A 77 2.114 -17.504 -23.902 1.00 43.45 C ATOM 0 H ILE A 77 3.059 -18.848 -21.054 1.00 4.40 H new ATOM 0 HA ILE A 77 1.317 -17.522 -21.277 1.00 22.20 H new ATOM 0 HB ILE A 77 -0.100 -19.848 -22.638 1.00 12.43 H new ATOM 0 HG12 ILE A 77 2.133 -19.613 -23.586 1.00 31.45 H new ATOM 0 HG13 ILE A 77 0.920 -19.066 -24.727 1.00 31.45 H new ATOM 0 HG21 ILE A 77 -1.207 -18.061 -23.922 1.00 13.50 H new ATOM 0 HG22 ILE A 77 -1.516 -17.904 -22.176 1.00 13.50 H new ATOM 0 HG23 ILE A 77 -0.331 -16.839 -22.969 1.00 13.50 H new ATOM 0 HD11 ILE A 77 2.846 -17.560 -24.707 1.00 43.45 H new ATOM 0 HD12 ILE A 77 1.390 -16.720 -24.124 1.00 43.45 H new ATOM 0 HD13 ILE A 77 2.622 -17.275 -22.965 1.00 43.45 H new ATOM 1207 N GLY A 78 0.350 -18.485 -18.967 1.00 25.32 N ATOM 1208 CA GLY A 78 -0.548 -18.673 -17.843 1.00 11.33 C ATOM 1209 C GLY A 78 -0.287 -17.687 -16.721 1.00 22.20 C ATOM 1210 O GLY A 78 -0.157 -18.078 -15.560 1.00 54.14 O ATOM 0 H GLY A 78 1.262 -18.098 -18.726 1.00 25.32 H new ATOM 0 HA2 GLY A 78 -1.578 -18.567 -18.183 1.00 11.33 H new ATOM 0 HA3 GLY A 78 -0.441 -19.689 -17.462 1.00 11.33 H new ATOM 1214 N ILE A 79 -0.207 -16.407 -17.067 1.00 14.20 N ATOM 1215 CA ILE A 79 0.041 -15.363 -16.080 1.00 60.31 C ATOM 1216 C ILE A 79 -0.929 -15.472 -14.909 1.00 35.21 C ATOM 1217 O ILE A 79 -0.517 -15.507 -13.750 1.00 50.11 O ATOM 1218 CB ILE A 79 -0.079 -13.960 -16.703 1.00 4.34 C ATOM 1219 CG1 ILE A 79 0.903 -13.809 -17.866 1.00 43.33 C ATOM 1220 CG2 ILE A 79 0.171 -12.890 -15.650 1.00 20.34 C ATOM 1221 CD1 ILE A 79 0.786 -12.484 -18.588 1.00 23.34 C ATOM 0 H ILE A 79 -0.310 -16.068 -18.023 1.00 14.20 H new ATOM 0 HA ILE A 79 1.060 -15.505 -15.719 1.00 60.31 H new ATOM 0 HB ILE A 79 -1.091 -13.835 -17.088 1.00 4.34 H new ATOM 0 HG12 ILE A 79 1.920 -13.920 -17.489 1.00 43.33 H new ATOM 0 HG13 ILE A 79 0.737 -14.617 -18.578 1.00 43.33 H new ATOM 0 HG21 ILE A 79 0.083 -11.904 -16.105 1.00 20.34 H new ATOM 0 HG22 ILE A 79 -0.564 -12.988 -14.851 1.00 20.34 H new ATOM 0 HG23 ILE A 79 1.173 -13.011 -15.239 1.00 20.34 H new ATOM 0 HD11 ILE A 79 1.512 -12.447 -19.400 1.00 23.34 H new ATOM 0 HD12 ILE A 79 -0.220 -12.379 -18.995 1.00 23.34 H new ATOM 0 HD13 ILE A 79 0.981 -11.670 -17.889 1.00 23.34 H new ATOM 1233 N GLU A 80 -2.221 -15.527 -15.220 1.00 63.34 N ATOM 1234 CA GLU A 80 -3.250 -15.633 -14.193 1.00 22.41 C ATOM 1235 C GLU A 80 -2.949 -16.786 -13.239 1.00 10.55 C ATOM 1236 O GLU A 80 -3.212 -16.696 -12.040 1.00 22.12 O ATOM 1237 CB GLU A 80 -4.624 -15.834 -14.835 1.00 32.20 C ATOM 1238 CG GLU A 80 -5.310 -14.535 -15.223 1.00 70.25 C ATOM 1239 CD GLU A 80 -6.819 -14.609 -15.089 1.00 64.22 C ATOM 1240 OE1 GLU A 80 -7.446 -15.361 -15.864 1.00 74.11 O ATOM 1241 OE2 GLU A 80 -7.371 -13.916 -14.210 1.00 54.32 O ATOM 0 H GLU A 80 -2.579 -15.500 -16.175 1.00 63.34 H new ATOM 0 HA GLU A 80 -3.256 -14.704 -13.623 1.00 22.41 H new ATOM 0 HB2 GLU A 80 -4.513 -16.456 -15.723 1.00 32.20 H new ATOM 0 HB3 GLU A 80 -5.264 -16.380 -14.141 1.00 32.20 H new ATOM 0 HG2 GLU A 80 -4.932 -13.728 -14.595 1.00 70.25 H new ATOM 0 HG3 GLU A 80 -5.052 -14.286 -16.252 1.00 70.25 H new ATOM 1248 N GLU A 81 -2.397 -17.867 -13.781 1.00 10.44 N ATOM 1249 CA GLU A 81 -2.062 -19.037 -12.978 1.00 0.34 C ATOM 1250 C GLU A 81 -1.033 -18.685 -11.907 1.00 33.23 C ATOM 1251 O GLU A 81 -1.114 -19.157 -10.772 1.00 73.10 O ATOM 1252 CB GLU A 81 -1.524 -20.158 -13.869 1.00 45.42 C ATOM 1253 CG GLU A 81 -2.356 -20.396 -15.118 1.00 14.54 C ATOM 1254 CD GLU A 81 -2.308 -21.837 -15.585 1.00 71.21 C ATOM 1255 OE1 GLU A 81 -1.429 -22.163 -16.410 1.00 73.45 O ATOM 1256 OE2 GLU A 81 -3.148 -22.639 -15.126 1.00 54.24 O ATOM 0 H GLU A 81 -2.173 -17.957 -14.772 1.00 10.44 H new ATOM 0 HA GLU A 81 -2.972 -19.380 -12.485 1.00 0.34 H new ATOM 0 HB2 GLU A 81 -0.502 -19.918 -14.164 1.00 45.42 H new ATOM 0 HB3 GLU A 81 -1.480 -21.081 -13.291 1.00 45.42 H new ATOM 0 HG2 GLU A 81 -3.391 -20.117 -14.919 1.00 14.54 H new ATOM 0 HG3 GLU A 81 -1.998 -19.747 -15.917 1.00 14.54 H new ATOM 1263 N THR A 82 -0.064 -17.853 -12.276 1.00 13.14 N ATOM 1264 CA THR A 82 0.982 -17.439 -11.349 1.00 15.11 C ATOM 1265 C THR A 82 0.492 -16.328 -10.428 1.00 15.43 C ATOM 1266 O THR A 82 0.743 -16.350 -9.223 1.00 14.24 O ATOM 1267 CB THR A 82 2.236 -16.953 -12.099 1.00 2.23 C ATOM 1268 OG1 THR A 82 2.313 -17.580 -13.384 1.00 31.24 O ATOM 1269 CG2 THR A 82 3.495 -17.260 -11.303 1.00 25.45 C ATOM 0 H THR A 82 0.018 -17.453 -13.211 1.00 13.14 H new ATOM 0 HA THR A 82 1.241 -18.314 -10.752 1.00 15.11 H new ATOM 0 HB THR A 82 2.160 -15.873 -12.227 1.00 2.23 H new ATOM 0 HG1 THR A 82 2.948 -18.325 -13.347 1.00 31.24 H new ATOM 0 HG21 THR A 82 4.368 -16.908 -11.853 1.00 25.45 H new ATOM 0 HG22 THR A 82 3.447 -16.757 -10.337 1.00 25.45 H new ATOM 0 HG23 THR A 82 3.574 -18.336 -11.148 1.00 25.45 H new ATOM 1277 N LYS A 83 -0.210 -15.356 -11.002 1.00 2.14 N ATOM 1278 CA LYS A 83 -0.738 -14.236 -10.232 1.00 42.41 C ATOM 1279 C LYS A 83 -1.529 -14.729 -9.025 1.00 24.31 C ATOM 1280 O LYS A 83 -1.513 -14.105 -7.964 1.00 64.14 O ATOM 1281 CB LYS A 83 -1.629 -13.359 -11.115 1.00 3.31 C ATOM 1282 CG LYS A 83 -0.935 -12.854 -12.368 1.00 60.13 C ATOM 1283 CD LYS A 83 -0.345 -11.469 -12.160 1.00 72.31 C ATOM 1284 CE LYS A 83 0.835 -11.505 -11.202 1.00 3.45 C ATOM 1285 NZ LYS A 83 0.432 -11.153 -9.812 1.00 20.02 N ATOM 0 H LYS A 83 -0.426 -15.322 -11.998 1.00 2.14 H new ATOM 0 HA LYS A 83 0.105 -13.645 -9.874 1.00 42.41 H new ATOM 0 HB2 LYS A 83 -2.513 -13.928 -11.404 1.00 3.31 H new ATOM 0 HB3 LYS A 83 -1.976 -12.505 -10.533 1.00 3.31 H new ATOM 0 HG2 LYS A 83 -0.144 -13.548 -12.652 1.00 60.13 H new ATOM 0 HG3 LYS A 83 -1.647 -12.827 -13.193 1.00 60.13 H new ATOM 0 HD2 LYS A 83 -0.025 -11.061 -13.119 1.00 72.31 H new ATOM 0 HD3 LYS A 83 -1.112 -10.800 -11.769 1.00 72.31 H new ATOM 0 HE2 LYS A 83 1.279 -12.500 -11.210 1.00 3.45 H new ATOM 0 HE3 LYS A 83 1.602 -10.811 -11.545 1.00 3.45 H new ATOM 0 HZ1 LYS A 83 0.809 -11.862 -9.151 1.00 20.02 H new ATOM 0 HZ2 LYS A 83 0.810 -10.216 -9.568 1.00 20.02 H new ATOM 0 HZ3 LYS A 83 -0.606 -11.136 -9.745 1.00 20.02 H new ATOM 1299 N GLN A 84 -2.218 -15.853 -9.194 1.00 24.31 N ATOM 1300 CA GLN A 84 -3.013 -16.430 -8.117 1.00 35.11 C ATOM 1301 C GLN A 84 -2.141 -16.756 -6.909 1.00 43.53 C ATOM 1302 O GLN A 84 -2.574 -16.622 -5.765 1.00 50.42 O ATOM 1303 CB GLN A 84 -3.726 -17.694 -8.601 1.00 51.14 C ATOM 1304 CG GLN A 84 -5.011 -17.413 -9.364 1.00 62.43 C ATOM 1305 CD GLN A 84 -5.957 -18.598 -9.370 1.00 65.13 C ATOM 1306 OE1 GLN A 84 -7.139 -18.465 -9.055 1.00 53.41 O ATOM 1307 NE2 GLN A 84 -5.439 -19.767 -9.730 1.00 73.01 N ATOM 0 H GLN A 84 -2.242 -16.382 -10.066 1.00 24.31 H new ATOM 0 HA GLN A 84 -3.758 -15.693 -7.816 1.00 35.11 H new ATOM 0 HB2 GLN A 84 -3.049 -18.260 -9.241 1.00 51.14 H new ATOM 0 HB3 GLN A 84 -3.954 -18.324 -7.741 1.00 51.14 H new ATOM 0 HG2 GLN A 84 -5.513 -16.554 -8.919 1.00 62.43 H new ATOM 0 HG3 GLN A 84 -4.767 -17.142 -10.391 1.00 62.43 H new ATOM 0 HE21 GLN A 84 -4.453 -19.832 -9.983 1.00 73.01 H new ATOM 0 HE22 GLN A 84 -6.027 -20.600 -9.753 1.00 73.01 H new ATOM 1316 N GLN A 85 -0.910 -17.184 -7.173 1.00 13.43 N ATOM 1317 CA GLN A 85 0.022 -17.529 -6.107 1.00 24.15 C ATOM 1318 C GLN A 85 0.621 -16.275 -5.479 1.00 41.52 C ATOM 1319 O GLN A 85 0.594 -16.105 -4.260 1.00 23.42 O ATOM 1320 CB GLN A 85 1.138 -18.426 -6.647 1.00 12.33 C ATOM 1321 CG GLN A 85 0.632 -19.587 -7.487 1.00 32.11 C ATOM 1322 CD GLN A 85 -0.303 -20.500 -6.718 1.00 22.11 C ATOM 1323 OE1 GLN A 85 0.086 -21.108 -5.720 1.00 43.11 O ATOM 1324 NE2 GLN A 85 -1.544 -20.601 -7.179 1.00 20.31 N ATOM 0 H GLN A 85 -0.536 -17.300 -8.115 1.00 13.43 H new ATOM 0 HA GLN A 85 -0.530 -18.070 -5.338 1.00 24.15 H new ATOM 0 HB2 GLN A 85 1.819 -17.823 -7.248 1.00 12.33 H new ATOM 0 HB3 GLN A 85 1.715 -18.818 -5.809 1.00 12.33 H new ATOM 0 HG2 GLN A 85 0.114 -19.198 -8.363 1.00 32.11 H new ATOM 0 HG3 GLN A 85 1.482 -20.166 -7.850 1.00 32.11 H new ATOM 0 HE21 GLN A 85 -1.824 -20.079 -8.010 1.00 20.31 H new ATOM 0 HE22 GLN A 85 -2.218 -21.200 -6.703 1.00 20.31 H new ATOM 1333 N ILE A 86 1.161 -15.399 -6.320 1.00 53.50 N ATOM 1334 CA ILE A 86 1.765 -14.159 -5.847 1.00 62.33 C ATOM 1335 C ILE A 86 0.760 -13.320 -5.066 1.00 73.21 C ATOM 1336 O ILE A 86 1.040 -12.871 -3.954 1.00 44.21 O ATOM 1337 CB ILE A 86 2.319 -13.322 -7.015 1.00 54.42 C ATOM 1338 CG1 ILE A 86 3.364 -14.122 -7.795 1.00 52.21 C ATOM 1339 CG2 ILE A 86 2.916 -12.022 -6.498 1.00 5.31 C ATOM 1340 CD1 ILE A 86 2.963 -14.406 -9.226 1.00 31.43 C ATOM 0 H ILE A 86 1.193 -15.525 -7.332 1.00 53.50 H new ATOM 0 HA ILE A 86 2.588 -14.440 -5.189 1.00 62.33 H new ATOM 0 HB ILE A 86 1.498 -13.079 -7.690 1.00 54.42 H new ATOM 0 HG12 ILE A 86 4.306 -13.574 -7.792 1.00 52.21 H new ATOM 0 HG13 ILE A 86 3.544 -15.067 -7.282 1.00 52.21 H new ATOM 0 HG21 ILE A 86 3.303 -11.441 -7.335 1.00 5.31 H new ATOM 0 HG22 ILE A 86 2.146 -11.447 -5.983 1.00 5.31 H new ATOM 0 HG23 ILE A 86 3.727 -12.244 -5.805 1.00 5.31 H new ATOM 0 HD11 ILE A 86 3.751 -14.976 -9.718 1.00 31.43 H new ATOM 0 HD12 ILE A 86 2.037 -14.981 -9.237 1.00 31.43 H new ATOM 0 HD13 ILE A 86 2.812 -13.465 -9.755 1.00 31.43 H new ATOM 1352 N LEU A 87 -0.413 -13.114 -5.654 1.00 55.21 N ATOM 1353 CA LEU A 87 -1.463 -12.330 -5.013 1.00 13.14 C ATOM 1354 C LEU A 87 -1.736 -12.837 -3.600 1.00 44.01 C ATOM 1355 O LEU A 87 -2.044 -12.058 -2.697 1.00 62.22 O ATOM 1356 CB LEU A 87 -2.747 -12.384 -5.843 1.00 31.54 C ATOM 1357 CG LEU A 87 -3.970 -11.699 -5.232 1.00 75.55 C ATOM 1358 CD1 LEU A 87 -3.920 -10.199 -5.478 1.00 31.53 C ATOM 1359 CD2 LEU A 87 -5.252 -12.292 -5.800 1.00 40.14 C ATOM 0 H LEU A 87 -0.661 -13.479 -6.574 1.00 55.21 H new ATOM 0 HA LEU A 87 -1.122 -11.297 -4.949 1.00 13.14 H new ATOM 0 HB2 LEU A 87 -2.548 -11.930 -6.814 1.00 31.54 H new ATOM 0 HB3 LEU A 87 -2.994 -13.430 -6.025 1.00 31.54 H new ATOM 0 HG LEU A 87 -3.959 -11.870 -4.156 1.00 75.55 H new ATOM 0 HD11 LEU A 87 -4.798 -9.728 -5.036 1.00 31.53 H new ATOM 0 HD12 LEU A 87 -3.020 -9.786 -5.024 1.00 31.53 H new ATOM 0 HD13 LEU A 87 -3.906 -10.006 -6.551 1.00 31.53 H new ATOM 0 HD21 LEU A 87 -6.112 -11.793 -5.354 1.00 40.14 H new ATOM 0 HD22 LEU A 87 -5.270 -12.151 -6.881 1.00 40.14 H new ATOM 0 HD23 LEU A 87 -5.292 -13.357 -5.572 1.00 40.14 H new ATOM 1371 N THR A 88 -1.618 -14.148 -3.414 1.00 62.24 N ATOM 1372 CA THR A 88 -1.850 -14.760 -2.112 1.00 1.40 C ATOM 1373 C THR A 88 -1.064 -14.043 -1.020 1.00 51.31 C ATOM 1374 O THR A 88 -1.521 -13.937 0.118 1.00 42.15 O ATOM 1375 CB THR A 88 -1.461 -16.250 -2.114 1.00 34.12 C ATOM 1376 OG1 THR A 88 -2.060 -16.911 -3.234 1.00 70.12 O ATOM 1377 CG2 THR A 88 -1.903 -16.926 -0.825 1.00 21.15 C ATOM 0 H THR A 88 -1.363 -14.807 -4.150 1.00 62.24 H new ATOM 0 HA THR A 88 -2.917 -14.671 -1.907 1.00 1.40 H new ATOM 0 HB THR A 88 -0.376 -16.319 -2.189 1.00 34.12 H new ATOM 0 HG1 THR A 88 -1.670 -16.566 -4.064 1.00 70.12 H new ATOM 0 HG21 THR A 88 -1.618 -17.978 -0.849 1.00 21.15 H new ATOM 0 HG22 THR A 88 -1.423 -16.439 0.024 1.00 21.15 H new ATOM 0 HG23 THR A 88 -2.985 -16.846 -0.725 1.00 21.15 H new ATOM 1385 N GLU A 89 0.119 -13.551 -1.374 1.00 63.54 N ATOM 1386 CA GLU A 89 0.968 -12.844 -0.423 1.00 21.33 C ATOM 1387 C GLU A 89 0.931 -11.340 -0.674 1.00 51.41 C ATOM 1388 O GLU A 89 0.909 -10.542 0.264 1.00 22.15 O ATOM 1389 CB GLU A 89 2.408 -13.352 -0.514 1.00 65.34 C ATOM 1390 CG GLU A 89 2.520 -14.868 -0.529 1.00 54.41 C ATOM 1391 CD GLU A 89 3.815 -15.364 0.084 1.00 14.53 C ATOM 1392 OE1 GLU A 89 4.426 -16.291 -0.487 1.00 13.50 O ATOM 1393 OE2 GLU A 89 4.217 -14.824 1.136 1.00 11.33 O ATOM 0 H GLU A 89 0.511 -13.629 -2.312 1.00 63.54 H new ATOM 0 HA GLU A 89 0.585 -13.037 0.579 1.00 21.33 H new ATOM 0 HB2 GLU A 89 2.868 -12.953 -1.418 1.00 65.34 H new ATOM 0 HB3 GLU A 89 2.976 -12.963 0.331 1.00 65.34 H new ATOM 0 HG2 GLU A 89 1.678 -15.296 0.015 1.00 54.41 H new ATOM 0 HG3 GLU A 89 2.450 -15.224 -1.557 1.00 54.41 H new ATOM 1400 N LEU A 90 0.924 -10.958 -1.947 1.00 24.54 N ATOM 1401 CA LEU A 90 0.890 -9.549 -2.323 1.00 64.52 C ATOM 1402 C LEU A 90 -0.335 -8.858 -1.734 1.00 3.20 C ATOM 1403 O LEU A 90 -0.214 -7.853 -1.034 1.00 54.31 O ATOM 1404 CB LEU A 90 0.887 -9.408 -3.846 1.00 73.33 C ATOM 1405 CG LEU A 90 1.676 -8.227 -4.413 1.00 35.22 C ATOM 1406 CD1 LEU A 90 1.758 -8.318 -5.929 1.00 22.44 C ATOM 1407 CD2 LEU A 90 1.041 -6.910 -3.990 1.00 23.23 C ATOM 0 H LEU A 90 0.941 -11.604 -2.736 1.00 24.54 H new ATOM 0 HA LEU A 90 1.783 -9.069 -1.922 1.00 64.52 H new ATOM 0 HB2 LEU A 90 1.287 -10.326 -4.277 1.00 73.33 H new ATOM 0 HB3 LEU A 90 -0.147 -9.323 -4.181 1.00 73.33 H new ATOM 0 HG LEU A 90 2.689 -8.265 -4.012 1.00 35.22 H new ATOM 0 HD11 LEU A 90 2.323 -7.469 -6.314 1.00 22.44 H new ATOM 0 HD12 LEU A 90 2.257 -9.245 -6.211 1.00 22.44 H new ATOM 0 HD13 LEU A 90 0.752 -8.305 -6.349 1.00 22.44 H new ATOM 0 HD21 LEU A 90 1.615 -6.080 -4.402 1.00 23.23 H new ATOM 0 HD22 LEU A 90 0.018 -6.863 -4.362 1.00 23.23 H new ATOM 0 HD23 LEU A 90 1.035 -6.842 -2.902 1.00 23.23 H new ATOM 1419 N GLN A 91 -1.512 -9.405 -2.021 1.00 3.52 N ATOM 1420 CA GLN A 91 -2.759 -8.840 -1.518 1.00 25.24 C ATOM 1421 C GLN A 91 -2.887 -9.058 -0.014 1.00 22.14 C ATOM 1422 O GLN A 91 -3.405 -8.204 0.706 1.00 23.35 O ATOM 1423 CB GLN A 91 -3.954 -9.465 -2.239 1.00 63.33 C ATOM 1424 CG GLN A 91 -5.187 -9.608 -1.362 1.00 70.42 C ATOM 1425 CD GLN A 91 -5.170 -10.879 -0.535 1.00 15.52 C ATOM 1426 OE1 GLN A 91 -5.355 -10.843 0.682 1.00 3.22 O ATOM 1427 NE2 GLN A 91 -4.949 -12.011 -1.192 1.00 53.12 N ATOM 0 H GLN A 91 -1.628 -10.238 -2.598 1.00 3.52 H new ATOM 0 HA GLN A 91 -2.747 -7.767 -1.712 1.00 25.24 H new ATOM 0 HB2 GLN A 91 -4.204 -8.854 -3.106 1.00 63.33 H new ATOM 0 HB3 GLN A 91 -3.668 -10.448 -2.613 1.00 63.33 H new ATOM 0 HG2 GLN A 91 -5.257 -8.747 -0.697 1.00 70.42 H new ATOM 0 HG3 GLN A 91 -6.078 -9.599 -1.990 1.00 70.42 H new ATOM 0 HE21 GLN A 91 -4.801 -11.994 -2.201 1.00 53.12 H new ATOM 0 HE22 GLN A 91 -4.928 -12.897 -0.688 1.00 53.12 H new ATOM 1436 N LYS A 92 -2.412 -10.207 0.455 1.00 32.23 N ATOM 1437 CA LYS A 92 -2.472 -10.538 1.874 1.00 74.40 C ATOM 1438 C LYS A 92 -1.253 -9.995 2.612 1.00 52.42 C ATOM 1439 O LYS A 92 -1.384 -9.215 3.556 1.00 24.21 O ATOM 1440 CB LYS A 92 -2.561 -12.055 2.061 1.00 2.34 C ATOM 1441 CG LYS A 92 -3.044 -12.470 3.440 1.00 12.11 C ATOM 1442 CD LYS A 92 -3.309 -13.964 3.511 1.00 32.44 C ATOM 1443 CE LYS A 92 -2.021 -14.765 3.399 1.00 2.14 C ATOM 1444 NZ LYS A 92 -1.234 -14.729 4.663 1.00 44.30 N ATOM 0 H LYS A 92 -1.981 -10.925 -0.127 1.00 32.23 H new ATOM 0 HA LYS A 92 -3.364 -10.073 2.293 1.00 74.40 H new ATOM 0 HB2 LYS A 92 -3.235 -12.466 1.310 1.00 2.34 H new ATOM 0 HB3 LYS A 92 -1.579 -12.493 1.882 1.00 2.34 H new ATOM 0 HG2 LYS A 92 -2.298 -12.196 4.186 1.00 12.11 H new ATOM 0 HG3 LYS A 92 -3.956 -11.926 3.686 1.00 12.11 H new ATOM 0 HD2 LYS A 92 -3.806 -14.202 4.451 1.00 32.44 H new ATOM 0 HD3 LYS A 92 -3.989 -14.252 2.709 1.00 32.44 H new ATOM 0 HE2 LYS A 92 -2.257 -15.799 3.147 1.00 2.14 H new ATOM 0 HE3 LYS A 92 -1.416 -14.368 2.583 1.00 2.14 H new ATOM 0 HZ1 LYS A 92 -0.381 -15.314 4.557 1.00 44.30 H new ATOM 0 HZ2 LYS A 92 -0.958 -13.748 4.872 1.00 44.30 H new ATOM 0 HZ3 LYS A 92 -1.813 -15.099 5.443 1.00 44.30 H new TER 1458 LYS A 92