USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 904 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 78 TYR OH : rot -52:sc= -7.76! USER MOD Set 1.2: B 62 GLN : amide:sc= -6.65! C(o=-18!,f=-22!) USER MOD Set 1.3: D 69 MET CE :methyl 140:sc= -3.47! (180deg=-1.96!) USER MOD Set 1.4: D 73 THR OG1 : rot 80:sc= -0.207 USER MOD Set 2.1: A 73 THR OG1 : rot 90:sc= 0.0835 USER MOD Set 2.2: C 69 MET CE :methyl 137:sc= -3.04! (180deg=-3.36!) USER MOD Set 3.1: B 69 MET CE :methyl 141:sc= -3.58! (180deg=-2.1!) USER MOD Set 3.2: B 73 THR OG1 : rot 80:sc= -0.139! USER MOD Set 3.3: C 78 TYR OH : rot -58:sc= -7.23! USER MOD Set 3.4: D 62 GLN : amide:sc= -5.75! C(o=-17!,f=-21!) USER MOD Set 4.1: A 69 MET CE :methyl 143:sc= -2.63! (180deg=-3.49!) USER MOD Set 4.2: C 73 THR OG1 : rot 90:sc= 0.105 USER MOD Single : A 62 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.7!) USER MOD Single : A 63 SER OG : rot 83:sc= 1.01 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 91:sc= -0.308 USER MOD Single : B 63 SER OG : rot 81:sc= 0.453 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ -155:sc= -1.08 (180deg=-2.21!) USER MOD Single : C 62 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.8!) USER MOD Single : C 63 SER OG : rot 84:sc= 1.08 USER MOD Single : C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot 86:sc= -0.355 USER MOD Single : D 63 SER OG : rot 83:sc= 0.787 USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= 0 USER MOD Single : D 79 LYS NZ :NH3+ -151:sc= -1.09 (180deg=-2.23!) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.235 -12.550 -17.228 1.00 35.57 N ATOM 54 CA ALA A 55 24.998 -11.193 -16.756 1.00 34.44 C ATOM 55 C ALA A 55 24.244 -11.205 -15.432 1.00 31.84 C ATOM 56 O ALA A 55 24.590 -10.479 -14.501 1.00 30.88 O ATOM 57 CB ALA A 55 24.230 -10.396 -17.800 1.00 35.08 C ATOM 0 HA ALA A 55 25.963 -10.713 -16.593 1.00 34.44 H new ATOM 0 HB1 ALA A 55 24.060 -9.384 -17.433 1.00 35.08 H new ATOM 0 HB2 ALA A 55 24.807 -10.355 -18.724 1.00 35.08 H new ATOM 0 HB3 ALA A 55 23.271 -10.877 -17.993 1.00 35.08 H new ATOM 63 N GLU A 56 23.213 -12.043 -15.352 1.00 30.74 N ATOM 64 CA GLU A 56 22.416 -12.155 -14.136 1.00 28.29 C ATOM 65 C GLU A 56 23.276 -12.650 -12.980 1.00 27.89 C ATOM 66 O GLU A 56 23.302 -12.048 -11.906 1.00 27.71 O ATOM 67 CB GLU A 56 21.238 -13.106 -14.354 1.00 27.52 C ATOM 68 CG GLU A 56 20.336 -13.244 -13.139 1.00 26.51 C ATOM 69 CD GLU A 56 19.010 -13.901 -13.468 1.00 25.02 C ATOM 70 OE1 GLU A 56 18.796 -14.247 -14.649 1.00 25.78 O ATOM 71 OE2 GLU A 56 18.187 -14.070 -12.545 1.00 23.12 O ATOM 0 H GLU A 56 22.912 -12.652 -16.113 1.00 30.74 H new ATOM 0 HA GLU A 56 22.029 -11.167 -13.889 1.00 28.29 H new ATOM 0 HB2 GLU A 56 20.646 -12.751 -15.197 1.00 27.52 H new ATOM 0 HB3 GLU A 56 21.621 -14.090 -14.626 1.00 27.52 H new ATOM 0 HG2 GLU A 56 20.848 -13.830 -12.376 1.00 26.51 H new ATOM 0 HG3 GLU A 56 20.153 -12.257 -12.713 1.00 26.51 H new ATOM 78 N ARG A 57 23.985 -13.747 -13.214 1.00 27.97 N ATOM 79 CA ARG A 57 24.856 -14.324 -12.201 1.00 27.93 C ATOM 80 C ARG A 57 25.986 -13.361 -11.862 1.00 26.41 C ATOM 81 O ARG A 57 26.279 -13.114 -10.692 1.00 25.78 O ATOM 82 CB ARG A 57 25.431 -15.656 -12.686 1.00 29.74 C ATOM 83 CG ARG A 57 26.170 -16.429 -11.605 1.00 30.89 C ATOM 84 CD ARG A 57 25.751 -17.891 -11.582 1.00 32.34 C ATOM 85 NE ARG A 57 26.557 -18.705 -12.487 1.00 35.02 N ATOM 86 CZ ARG A 57 26.250 -19.953 -12.825 1.00 36.28 C ATOM 87 NH1 ARG A 57 25.159 -20.526 -12.334 1.00 35.18 N ATOM 88 NH2 ARG A 57 27.031 -20.630 -13.655 1.00 38.76 N ATOM 0 H ARG A 57 23.973 -14.255 -14.098 1.00 27.97 H new ATOM 0 HA ARG A 57 24.266 -14.504 -11.302 1.00 27.93 H new ATOM 0 HB2 ARG A 57 24.620 -16.273 -13.072 1.00 29.74 H new ATOM 0 HB3 ARG A 57 26.112 -15.468 -13.516 1.00 29.74 H new ATOM 0 HG2 ARG A 57 27.244 -16.360 -11.776 1.00 30.89 H new ATOM 0 HG3 ARG A 57 25.972 -15.977 -10.633 1.00 30.89 H new ATOM 0 HD2 ARG A 57 25.842 -18.278 -10.567 1.00 32.34 H new ATOM 0 HD3 ARG A 57 24.700 -17.971 -11.861 1.00 32.34 H new ATOM 0 HE ARG A 57 27.403 -18.293 -12.882 1.00 35.02 H new ATOM 0 HH11 ARG A 57 24.554 -20.009 -11.696 1.00 35.18 H new ATOM 0 HH12 ARG A 57 24.925 -21.484 -12.594 1.00 35.18 H new ATOM 0 HH21 ARG A 57 27.870 -20.193 -14.036 1.00 38.76 H new ATOM 0 HH22 ARG A 57 26.793 -21.588 -13.913 1.00 38.76 H new ATOM 102 N LEU A 58 26.611 -12.814 -12.897 1.00 26.07 N ATOM 103 CA LEU A 58 27.705 -11.868 -12.718 1.00 24.77 C ATOM 104 C LEU A 58 27.276 -10.719 -11.814 1.00 22.86 C ATOM 105 O LEU A 58 27.996 -10.339 -10.890 1.00 23.25 O ATOM 106 CB LEU A 58 28.164 -11.322 -14.071 1.00 24.56 C ATOM 107 CG LEU A 58 29.182 -12.193 -14.808 1.00 26.63 C ATOM 108 CD1 LEU A 58 29.594 -11.542 -16.118 1.00 26.60 C ATOM 109 CD2 LEU A 58 30.397 -12.445 -13.929 1.00 27.07 C ATOM 0 H LEU A 58 26.378 -13.010 -13.871 1.00 26.07 H new ATOM 0 HA LEU A 58 28.537 -12.393 -12.248 1.00 24.77 H new ATOM 0 HB2 LEU A 58 27.290 -11.192 -14.709 1.00 24.56 H new ATOM 0 HB3 LEU A 58 28.597 -10.333 -13.919 1.00 24.56 H new ATOM 0 HG LEU A 58 28.716 -13.152 -15.036 1.00 26.63 H new ATOM 0 HD11 LEU A 58 30.319 -12.177 -16.628 1.00 26.60 H new ATOM 0 HD12 LEU A 58 28.717 -11.412 -16.751 1.00 26.60 H new ATOM 0 HD13 LEU A 58 30.043 -10.569 -15.916 1.00 26.60 H new ATOM 0 HD21 LEU A 58 31.113 -13.066 -14.467 1.00 27.07 H new ATOM 0 HD22 LEU A 58 30.863 -11.494 -13.672 1.00 27.07 H new ATOM 0 HD23 LEU A 58 30.087 -12.955 -13.017 1.00 27.07 H new ATOM 121 N ALA A 59 26.094 -10.173 -12.084 1.00 20.85 N ATOM 122 CA ALA A 59 25.563 -9.071 -11.292 1.00 19.03 C ATOM 123 C ALA A 59 25.598 -9.412 -9.807 1.00 19.49 C ATOM 124 O ALA A 59 25.952 -8.578 -8.975 1.00 20.18 O ATOM 125 CB ALA A 59 24.143 -8.745 -11.728 1.00 17.82 C ATOM 0 H ALA A 59 25.487 -10.476 -12.845 1.00 20.85 H new ATOM 0 HA ALA A 59 26.189 -8.194 -11.457 1.00 19.03 H new ATOM 0 HB1 ALA A 59 23.759 -7.920 -11.128 1.00 17.82 H new ATOM 0 HB2 ALA A 59 24.142 -8.460 -12.780 1.00 17.82 H new ATOM 0 HB3 ALA A 59 23.509 -9.621 -11.589 1.00 17.82 H new ATOM 131 N ASP A 60 25.233 -10.649 -9.487 1.00 19.18 N ATOM 132 CA ASP A 60 25.228 -11.111 -8.105 1.00 19.54 C ATOM 133 C ASP A 60 26.647 -11.159 -7.553 1.00 20.19 C ATOM 134 O ASP A 60 26.871 -10.935 -6.362 1.00 20.12 O ATOM 135 CB ASP A 60 24.581 -12.493 -8.009 1.00 19.31 C ATOM 136 CG ASP A 60 24.358 -12.930 -6.574 1.00 18.77 C ATOM 137 OD1 ASP A 60 25.250 -12.687 -5.735 1.00 20.20 O ATOM 138 OD2 ASP A 60 23.292 -13.517 -6.290 1.00 17.15 O ATOM 0 H ASP A 60 24.937 -11.349 -10.167 1.00 19.18 H new ATOM 0 HA ASP A 60 24.646 -10.408 -7.510 1.00 19.54 H new ATOM 0 HB2 ASP A 60 23.626 -12.481 -8.535 1.00 19.31 H new ATOM 0 HB3 ASP A 60 25.214 -13.223 -8.514 1.00 19.31 H new ATOM 143 N GLU A 61 27.605 -11.449 -8.428 1.00 20.87 N ATOM 144 CA GLU A 61 29.006 -11.523 -8.034 1.00 21.54 C ATOM 145 C GLU A 61 29.536 -10.141 -7.676 1.00 21.62 C ATOM 146 O GLU A 61 30.202 -9.963 -6.655 1.00 22.27 O ATOM 147 CB GLU A 61 29.847 -12.130 -9.158 1.00 21.58 C ATOM 148 CG GLU A 61 31.215 -12.612 -8.702 1.00 21.52 C ATOM 149 CD GLU A 61 32.233 -12.629 -9.825 1.00 21.53 C ATOM 150 OE1 GLU A 61 32.580 -11.540 -10.329 1.00 20.71 O ATOM 151 OE2 GLU A 61 32.686 -13.731 -10.200 1.00 22.45 O ATOM 0 H GLU A 61 27.435 -11.637 -9.416 1.00 20.87 H new ATOM 0 HA GLU A 61 29.078 -12.164 -7.155 1.00 21.54 H new ATOM 0 HB2 GLU A 61 29.303 -12.967 -9.596 1.00 21.58 H new ATOM 0 HB3 GLU A 61 29.976 -11.387 -9.945 1.00 21.58 H new ATOM 0 HG2 GLU A 61 31.575 -11.967 -7.901 1.00 21.52 H new ATOM 0 HG3 GLU A 61 31.122 -13.615 -8.286 1.00 21.52 H new ATOM 158 N GLN A 62 29.230 -9.164 -8.519 1.00 20.97 N ATOM 159 CA GLN A 62 29.667 -7.793 -8.292 1.00 20.97 C ATOM 160 C GLN A 62 29.044 -7.239 -7.017 1.00 19.15 C ATOM 161 O GLN A 62 29.688 -6.511 -6.263 1.00 19.75 O ATOM 162 CB GLN A 62 29.297 -6.908 -9.484 1.00 20.72 C ATOM 163 CG GLN A 62 29.669 -7.512 -10.828 1.00 23.42 C ATOM 164 CD GLN A 62 31.145 -7.843 -10.931 1.00 24.31 C ATOM 165 OE1 GLN A 62 31.948 -7.414 -10.103 1.00 24.53 O ATOM 166 NE2 GLN A 62 31.510 -8.611 -11.952 1.00 24.87 N ATOM 0 H GLN A 62 28.680 -9.296 -9.368 1.00 20.97 H new ATOM 0 HA GLN A 62 30.751 -7.794 -8.180 1.00 20.97 H new ATOM 0 HB2 GLN A 62 28.224 -6.717 -9.465 1.00 20.72 H new ATOM 0 HB3 GLN A 62 29.794 -5.944 -9.378 1.00 20.72 H new ATOM 0 HG2 GLN A 62 29.085 -8.418 -10.989 1.00 23.42 H new ATOM 0 HG3 GLN A 62 29.401 -6.815 -11.622 1.00 23.42 H new ATOM 0 HE21 GLN A 62 30.810 -8.945 -12.615 1.00 24.87 H new ATOM 0 HE22 GLN A 62 32.490 -8.867 -12.073 1.00 24.87 H new ATOM 175 N SER A 63 27.785 -7.596 -6.780 1.00 17.11 N ATOM 176 CA SER A 63 27.074 -7.142 -5.592 1.00 15.50 C ATOM 177 C SER A 63 27.756 -7.659 -4.330 1.00 15.46 C ATOM 178 O SER A 63 27.880 -6.941 -3.339 1.00 13.71 O ATOM 179 CB SER A 63 25.619 -7.612 -5.630 1.00 16.10 C ATOM 180 OG SER A 63 25.061 -7.438 -6.921 1.00 16.97 O ATOM 0 H SER A 63 27.238 -8.198 -7.395 1.00 17.11 H new ATOM 0 HA SER A 63 27.092 -6.052 -5.578 1.00 15.50 H new ATOM 0 HB2 SER A 63 25.565 -8.663 -5.346 1.00 16.10 H new ATOM 0 HB3 SER A 63 25.034 -7.054 -4.899 1.00 16.10 H new ATOM 0 HG SER A 63 25.306 -8.198 -7.489 1.00 16.97 H new ATOM 186 N GLU A 64 28.202 -8.911 -4.379 1.00 17.64 N ATOM 187 CA GLU A 64 28.878 -9.526 -3.245 1.00 18.20 C ATOM 188 C GLU A 64 30.124 -8.733 -2.869 1.00 17.03 C ATOM 189 O GLU A 64 30.458 -8.599 -1.691 1.00 17.08 O ATOM 190 CB GLU A 64 29.258 -10.971 -3.572 1.00 20.98 C ATOM 191 CG GLU A 64 28.081 -11.826 -4.010 1.00 21.96 C ATOM 192 CD GLU A 64 27.767 -12.935 -3.026 1.00 23.79 C ATOM 193 OE1 GLU A 64 27.338 -12.622 -1.895 1.00 23.17 O ATOM 194 OE2 GLU A 64 27.948 -14.119 -3.385 1.00 25.96 O ATOM 0 H GLU A 64 28.107 -9.518 -5.193 1.00 17.64 H new ATOM 0 HA GLU A 64 28.193 -9.524 -2.397 1.00 18.20 H new ATOM 0 HB2 GLU A 64 30.009 -10.970 -4.362 1.00 20.98 H new ATOM 0 HB3 GLU A 64 29.719 -11.424 -2.694 1.00 20.98 H new ATOM 0 HG2 GLU A 64 27.202 -11.193 -4.131 1.00 21.96 H new ATOM 0 HG3 GLU A 64 28.296 -12.261 -4.986 1.00 21.96 H new ATOM 201 N LEU A 65 30.808 -8.206 -3.881 1.00 16.03 N ATOM 202 CA LEU A 65 32.018 -7.422 -3.660 1.00 14.97 C ATOM 203 C LEU A 65 31.703 -6.152 -2.879 1.00 13.88 C ATOM 204 O LEU A 65 32.448 -5.763 -1.979 1.00 14.17 O ATOM 205 CB LEU A 65 32.670 -7.063 -4.996 1.00 15.05 C ATOM 206 CG LEU A 65 33.570 -8.147 -5.590 1.00 15.74 C ATOM 207 CD1 LEU A 65 33.346 -8.263 -7.089 1.00 14.62 C ATOM 208 CD2 LEU A 65 35.032 -7.850 -5.287 1.00 17.26 C ATOM 0 H LEU A 65 30.545 -8.308 -4.861 1.00 16.03 H new ATOM 0 HA LEU A 65 32.713 -8.026 -3.076 1.00 14.97 H new ATOM 0 HB2 LEU A 65 31.885 -6.830 -5.715 1.00 15.05 H new ATOM 0 HB3 LEU A 65 33.259 -6.156 -4.863 1.00 15.05 H new ATOM 0 HG LEU A 65 33.311 -9.101 -5.131 1.00 15.74 H new ATOM 0 HD11 LEU A 65 33.995 -9.039 -7.495 1.00 14.62 H new ATOM 0 HD12 LEU A 65 32.305 -8.522 -7.282 1.00 14.62 H new ATOM 0 HD13 LEU A 65 33.577 -7.311 -7.566 1.00 14.62 H new ATOM 0 HD21 LEU A 65 35.659 -8.631 -5.717 1.00 17.26 H new ATOM 0 HD22 LEU A 65 35.305 -6.887 -5.719 1.00 17.26 H new ATOM 0 HD23 LEU A 65 35.181 -7.818 -4.208 1.00 17.26 H new ATOM 220 N VAL A 66 30.592 -5.511 -3.226 1.00 12.98 N ATOM 221 CA VAL A 66 30.178 -4.289 -2.554 1.00 12.05 C ATOM 222 C VAL A 66 29.615 -4.598 -1.173 1.00 10.26 C ATOM 223 O VAL A 66 29.951 -3.936 -0.191 1.00 9.95 O ATOM 224 CB VAL A 66 29.119 -3.526 -3.370 1.00 12.76 C ATOM 225 CG1 VAL A 66 28.804 -2.189 -2.718 1.00 12.01 C ATOM 226 CG2 VAL A 66 29.586 -3.331 -4.805 1.00 14.79 C ATOM 0 H VAL A 66 29.964 -5.819 -3.968 1.00 12.98 H new ATOM 0 HA VAL A 66 31.064 -3.662 -2.456 1.00 12.05 H new ATOM 0 HB VAL A 66 28.205 -4.120 -3.388 1.00 12.76 H new ATOM 0 HG11 VAL A 66 28.054 -1.664 -3.309 1.00 12.01 H new ATOM 0 HG12 VAL A 66 28.421 -2.356 -1.711 1.00 12.01 H new ATOM 0 HG13 VAL A 66 29.711 -1.587 -2.666 1.00 12.01 H new ATOM 0 HG21 VAL A 66 28.824 -2.790 -5.365 1.00 14.79 H new ATOM 0 HG22 VAL A 66 30.515 -2.760 -4.811 1.00 14.79 H new ATOM 0 HG23 VAL A 66 29.755 -4.303 -5.268 1.00 14.79 H new ATOM 236 N LYS A 67 28.761 -5.613 -1.106 1.00 9.58 N ATOM 237 CA LYS A 67 28.154 -6.020 0.154 1.00 7.93 C ATOM 238 C LYS A 67 29.228 -6.394 1.170 1.00 7.52 C ATOM 239 O LYS A 67 29.283 -5.832 2.265 1.00 7.18 O ATOM 240 CB LYS A 67 27.209 -7.201 -0.075 1.00 9.08 C ATOM 241 CG LYS A 67 26.692 -7.832 1.208 1.00 9.95 C ATOM 242 CD LYS A 67 25.854 -9.067 0.921 1.00 10.76 C ATOM 243 CE LYS A 67 25.773 -9.979 2.135 1.00 11.24 C ATOM 244 NZ LYS A 67 26.554 -11.232 1.941 1.00 11.60 N ATOM 0 H LYS A 67 28.474 -6.169 -1.911 1.00 9.58 H new ATOM 0 HA LYS A 67 27.582 -5.181 0.550 1.00 7.93 H new ATOM 0 HB2 LYS A 67 26.360 -6.865 -0.671 1.00 9.08 H new ATOM 0 HB3 LYS A 67 27.728 -7.961 -0.659 1.00 9.08 H new ATOM 0 HG2 LYS A 67 27.533 -8.102 1.847 1.00 9.95 H new ATOM 0 HG3 LYS A 67 26.094 -7.105 1.758 1.00 9.95 H new ATOM 0 HD2 LYS A 67 24.850 -8.766 0.623 1.00 10.76 H new ATOM 0 HD3 LYS A 67 26.285 -9.613 0.082 1.00 10.76 H new ATOM 0 HE2 LYS A 67 26.147 -9.450 3.012 1.00 11.24 H new ATOM 0 HE3 LYS A 67 24.730 -10.228 2.333 1.00 11.24 H new ATOM 0 HZ1 LYS A 67 26.473 -11.826 2.791 1.00 11.60 H new ATOM 0 HZ2 LYS A 67 26.181 -11.750 1.120 1.00 11.60 H new ATOM 0 HZ3 LYS A 67 27.554 -10.996 1.777 1.00 11.60 H new ATOM 258 N LYS A 68 30.083 -7.342 0.800 1.00 8.28 N ATOM 259 CA LYS A 68 31.157 -7.783 1.681 1.00 8.85 C ATOM 260 C LYS A 68 32.014 -6.598 2.112 1.00 8.97 C ATOM 261 O LYS A 68 32.560 -6.582 3.215 1.00 10.87 O ATOM 262 CB LYS A 68 32.025 -8.831 0.982 1.00 11.09 C ATOM 263 CG LYS A 68 32.899 -8.261 -0.123 1.00 11.23 C ATOM 264 CD LYS A 68 34.313 -7.994 0.368 1.00 11.12 C ATOM 265 CE LYS A 68 35.284 -9.047 -0.139 1.00 12.35 C ATOM 266 NZ LYS A 68 35.860 -8.682 -1.461 1.00 12.48 N ATOM 0 H LYS A 68 30.053 -7.818 -0.102 1.00 8.28 H new ATOM 0 HA LYS A 68 30.710 -8.233 2.568 1.00 8.85 H new ATOM 0 HB2 LYS A 68 32.661 -9.316 1.723 1.00 11.09 H new ATOM 0 HB3 LYS A 68 31.380 -9.603 0.562 1.00 11.09 H new ATOM 0 HG2 LYS A 68 32.929 -8.958 -0.961 1.00 11.23 H new ATOM 0 HG3 LYS A 68 32.460 -7.335 -0.494 1.00 11.23 H new ATOM 0 HD2 LYS A 68 34.636 -7.008 0.034 1.00 11.12 H new ATOM 0 HD3 LYS A 68 34.325 -7.981 1.458 1.00 11.12 H new ATOM 0 HE2 LYS A 68 36.089 -9.176 0.584 1.00 12.35 H new ATOM 0 HE3 LYS A 68 34.771 -10.005 -0.219 1.00 12.35 H new ATOM 0 HZ1 LYS A 68 36.517 -9.426 -1.771 1.00 12.48 H new ATOM 0 HZ2 LYS A 68 35.094 -8.584 -2.158 1.00 12.48 H new ATOM 0 HZ3 LYS A 68 36.372 -7.780 -1.380 1.00 12.48 H new ATOM 280 N MET A 69 32.121 -5.605 1.234 1.00 7.24 N ATOM 281 CA MET A 69 32.905 -4.412 1.524 1.00 7.41 C ATOM 282 C MET A 69 32.230 -3.574 2.604 1.00 6.09 C ATOM 283 O MET A 69 32.894 -3.017 3.478 1.00 5.77 O ATOM 284 CB MET A 69 33.091 -3.579 0.254 1.00 7.66 C ATOM 285 CG MET A 69 33.836 -2.275 0.486 1.00 7.01 C ATOM 286 SD MET A 69 34.060 -1.325 -1.030 1.00 7.41 S ATOM 287 CE MET A 69 32.386 -0.766 -1.328 1.00 7.11 C ATOM 0 H MET A 69 31.675 -5.604 0.317 1.00 7.24 H new ATOM 0 HA MET A 69 33.883 -4.725 1.889 1.00 7.41 H new ATOM 0 HB2 MET A 69 33.633 -4.171 -0.483 1.00 7.66 H new ATOM 0 HB3 MET A 69 32.112 -3.358 -0.172 1.00 7.66 H new ATOM 0 HG2 MET A 69 33.289 -1.672 1.211 1.00 7.01 H new ATOM 0 HG3 MET A 69 34.811 -2.491 0.923 1.00 7.01 H new ATOM 0 HE1 MET A 69 32.407 0.247 -1.730 1.00 7.11 H new ATOM 0 HE2 MET A 69 31.902 -1.431 -2.044 1.00 7.11 H new ATOM 0 HE3 MET A 69 31.828 -0.773 -0.392 1.00 7.11 H new ATOM 297 N VAL A 70 30.904 -3.493 2.537 1.00 6.16 N ATOM 298 CA VAL A 70 30.137 -2.727 3.507 1.00 6.88 C ATOM 299 C VAL A 70 30.070 -3.456 4.844 1.00 7.18 C ATOM 300 O VAL A 70 30.091 -2.831 5.904 1.00 7.04 O ATOM 301 CB VAL A 70 28.707 -2.447 2.997 1.00 7.54 C ATOM 302 CG1 VAL A 70 27.855 -1.789 4.074 1.00 9.26 C ATOM 303 CG2 VAL A 70 28.759 -1.577 1.753 1.00 5.69 C ATOM 0 H VAL A 70 30.341 -3.950 1.820 1.00 6.16 H new ATOM 0 HA VAL A 70 30.649 -1.775 3.646 1.00 6.88 H new ATOM 0 HB VAL A 70 28.243 -3.400 2.744 1.00 7.54 H new ATOM 0 HG11 VAL A 70 26.854 -1.605 3.684 1.00 9.26 H new ATOM 0 HG12 VAL A 70 27.791 -2.447 4.940 1.00 9.26 H new ATOM 0 HG13 VAL A 70 28.309 -0.843 4.370 1.00 9.26 H new ATOM 0 HG21 VAL A 70 27.746 -1.385 1.401 1.00 5.69 H new ATOM 0 HG22 VAL A 70 29.246 -0.631 1.991 1.00 5.69 H new ATOM 0 HG23 VAL A 70 29.323 -2.090 0.974 1.00 5.69 H new ATOM 313 N PHE A 71 29.992 -4.781 4.791 1.00 7.93 N ATOM 314 CA PHE A 71 29.924 -5.580 6.005 1.00 8.46 C ATOM 315 C PHE A 71 31.115 -5.283 6.907 1.00 9.01 C ATOM 316 O PHE A 71 30.952 -4.777 8.014 1.00 9.05 O ATOM 317 CB PHE A 71 29.883 -7.071 5.674 1.00 8.88 C ATOM 318 CG PHE A 71 29.826 -7.939 6.898 1.00 9.73 C ATOM 319 CD1 PHE A 71 28.734 -7.863 7.774 1.00 11.73 C ATOM 320 CD2 PHE A 71 30.867 -8.831 7.189 1.00 8.78 C ATOM 321 CE1 PHE A 71 28.680 -8.664 8.918 1.00 12.81 C ATOM 322 CE2 PHE A 71 30.819 -9.632 8.333 1.00 9.98 C ATOM 323 CZ PHE A 71 29.725 -9.549 9.198 1.00 12.00 C ATOM 0 H PHE A 71 29.974 -5.320 3.925 1.00 7.93 H new ATOM 0 HA PHE A 71 29.006 -5.315 6.530 1.00 8.46 H new ATOM 0 HB2 PHE A 71 29.014 -7.276 5.049 1.00 8.88 H new ATOM 0 HB3 PHE A 71 30.765 -7.333 5.090 1.00 8.88 H new ATOM 0 HD1 PHE A 71 27.926 -7.178 7.563 1.00 11.73 H new ATOM 0 HD2 PHE A 71 31.714 -8.900 6.523 1.00 8.78 H new ATOM 0 HE1 PHE A 71 27.833 -8.599 9.584 1.00 12.81 H new ATOM 0 HE2 PHE A 71 31.627 -10.315 8.548 1.00 9.98 H new ATOM 0 HZ PHE A 71 29.687 -10.168 10.082 1.00 12.00 H new ATOM 333 N ASP A 72 32.314 -5.595 6.424 1.00 9.49 N ATOM 334 CA ASP A 72 33.529 -5.353 7.193 1.00 10.10 C ATOM 335 C ASP A 72 33.568 -3.915 7.698 1.00 10.20 C ATOM 336 O ASP A 72 33.965 -3.657 8.834 1.00 11.33 O ATOM 337 CB ASP A 72 34.766 -5.639 6.340 1.00 10.34 C ATOM 338 CG ASP A 72 35.040 -7.123 6.197 1.00 10.51 C ATOM 339 OD1 ASP A 72 34.625 -7.892 7.090 1.00 12.67 O ATOM 340 OD2 ASP A 72 35.669 -7.517 5.192 1.00 8.51 O ATOM 0 H ASP A 72 32.469 -6.014 5.507 1.00 9.49 H new ATOM 0 HA ASP A 72 33.528 -6.025 8.051 1.00 10.10 H new ATOM 0 HB2 ASP A 72 34.631 -5.200 5.351 1.00 10.34 H new ATOM 0 HB3 ASP A 72 35.633 -5.154 6.788 1.00 10.34 H new ATOM 345 N THR A 73 33.147 -2.982 6.849 1.00 9.38 N ATOM 346 CA THR A 73 33.130 -1.572 7.215 1.00 9.35 C ATOM 347 C THR A 73 32.112 -1.323 8.322 1.00 10.70 C ATOM 348 O THR A 73 32.477 -1.097 9.476 1.00 12.11 O ATOM 349 CB THR A 73 32.802 -0.707 5.992 1.00 7.27 C ATOM 350 OG1 THR A 73 33.874 -0.724 5.067 1.00 6.31 O ATOM 351 CG2 THR A 73 32.514 0.743 6.332 1.00 5.99 C ATOM 0 H THR A 73 32.814 -3.178 5.905 1.00 9.38 H new ATOM 0 HA THR A 73 34.119 -1.299 7.582 1.00 9.35 H new ATOM 0 HB THR A 73 31.900 -1.146 5.566 1.00 7.27 H new ATOM 0 HG1 THR A 73 33.746 -1.458 4.431 1.00 6.31 H new ATOM 0 HG21 THR A 73 32.290 1.294 5.418 1.00 5.99 H new ATOM 0 HG22 THR A 73 31.659 0.796 7.006 1.00 5.99 H new ATOM 0 HG23 THR A 73 33.386 1.183 6.817 1.00 5.99 H new ATOM 359 N LEU A 74 30.835 -1.366 7.960 1.00 10.57 N ATOM 360 CA LEU A 74 29.761 -1.143 8.921 1.00 12.25 C ATOM 361 C LEU A 74 29.956 -1.998 10.167 1.00 12.47 C ATOM 362 O LEU A 74 29.673 -1.562 11.282 1.00 13.18 O ATOM 363 CB LEU A 74 28.409 -1.442 8.278 1.00 12.79 C ATOM 364 CG LEU A 74 27.993 -0.464 7.179 1.00 11.55 C ATOM 365 CD1 LEU A 74 26.519 -0.631 6.854 1.00 13.87 C ATOM 366 CD2 LEU A 74 28.293 0.969 7.597 1.00 9.98 C ATOM 0 H LEU A 74 30.518 -1.553 7.009 1.00 10.57 H new ATOM 0 HA LEU A 74 29.785 -0.096 9.223 1.00 12.25 H new ATOM 0 HB2 LEU A 74 28.436 -2.448 7.859 1.00 12.79 H new ATOM 0 HB3 LEU A 74 27.644 -1.441 9.055 1.00 12.79 H new ATOM 0 HG LEU A 74 28.571 -0.685 6.281 1.00 11.55 H new ATOM 0 HD11 LEU A 74 26.237 0.072 6.070 1.00 13.87 H new ATOM 0 HD12 LEU A 74 26.335 -1.649 6.512 1.00 13.87 H new ATOM 0 HD13 LEU A 74 25.925 -0.436 7.747 1.00 13.87 H new ATOM 0 HD21 LEU A 74 27.990 1.651 6.802 1.00 9.98 H new ATOM 0 HD22 LEU A 74 27.742 1.205 8.507 1.00 9.98 H new ATOM 0 HD23 LEU A 74 29.362 1.078 7.781 1.00 9.98 H new ATOM 378 N LYS A 75 30.451 -3.213 9.971 1.00 11.91 N ATOM 379 CA LYS A 75 30.698 -4.123 11.082 1.00 12.07 C ATOM 380 C LYS A 75 31.644 -3.477 12.082 1.00 12.71 C ATOM 381 O LYS A 75 31.260 -3.154 13.206 1.00 13.74 O ATOM 382 CB LYS A 75 31.298 -5.435 10.573 1.00 10.13 C ATOM 383 CG LYS A 75 31.766 -6.365 11.679 1.00 10.47 C ATOM 384 CD LYS A 75 31.900 -7.797 11.186 1.00 9.40 C ATOM 385 CE LYS A 75 33.298 -8.339 11.434 1.00 8.14 C ATOM 386 NZ LYS A 75 33.297 -9.816 11.626 1.00 9.10 N ATOM 0 H LYS A 75 30.689 -3.591 9.054 1.00 11.91 H new ATOM 0 HA LYS A 75 29.749 -4.338 11.573 1.00 12.07 H new ATOM 0 HB2 LYS A 75 30.555 -5.952 9.966 1.00 10.13 H new ATOM 0 HB3 LYS A 75 32.141 -5.209 9.920 1.00 10.13 H new ATOM 0 HG2 LYS A 75 32.726 -6.020 12.063 1.00 10.47 H new ATOM 0 HG3 LYS A 75 31.060 -6.330 12.508 1.00 10.47 H new ATOM 0 HD2 LYS A 75 31.168 -8.428 11.691 1.00 9.40 H new ATOM 0 HD3 LYS A 75 31.675 -7.839 10.120 1.00 9.40 H new ATOM 0 HE2 LYS A 75 33.941 -8.083 10.592 1.00 8.14 H new ATOM 0 HE3 LYS A 75 33.722 -7.859 12.316 1.00 8.14 H new ATOM 0 HZ1 LYS A 75 34.269 -10.145 11.792 1.00 9.10 H new ATOM 0 HZ2 LYS A 75 32.704 -10.059 12.445 1.00 9.10 H new ATOM 0 HZ3 LYS A 75 32.917 -10.276 10.775 1.00 9.10 H new ATOM 400 N ASP A 76 32.884 -3.286 11.655 1.00 12.48 N ATOM 401 CA ASP A 76 33.902 -2.672 12.497 1.00 13.61 C ATOM 402 C ASP A 76 33.522 -1.235 12.846 1.00 15.46 C ATOM 403 O ASP A 76 33.929 -0.711 13.884 1.00 17.03 O ATOM 404 CB ASP A 76 35.259 -2.698 11.791 1.00 12.87 C ATOM 405 CG ASP A 76 36.333 -3.365 12.627 1.00 14.15 C ATOM 406 OD1 ASP A 76 36.777 -2.754 13.622 1.00 14.50 O ATOM 407 OD2 ASP A 76 36.732 -4.498 12.286 1.00 15.04 O ATOM 0 H ASP A 76 33.211 -3.549 10.725 1.00 12.48 H new ATOM 0 HA ASP A 76 33.971 -3.245 13.422 1.00 13.61 H new ATOM 0 HB2 ASP A 76 35.162 -3.225 10.842 1.00 12.87 H new ATOM 0 HB3 ASP A 76 35.564 -1.678 11.559 1.00 12.87 H new ATOM 412 N LEU A 77 32.738 -0.602 11.977 1.00 15.42 N ATOM 413 CA LEU A 77 32.303 0.770 12.198 1.00 17.20 C ATOM 414 C LEU A 77 31.341 0.840 13.380 1.00 19.48 C ATOM 415 O LEU A 77 31.610 1.519 14.371 1.00 21.29 O ATOM 416 CB LEU A 77 31.653 1.323 10.921 1.00 16.56 C ATOM 417 CG LEU A 77 30.672 2.486 11.111 1.00 16.69 C ATOM 418 CD1 LEU A 77 31.207 3.478 12.132 1.00 15.87 C ATOM 419 CD2 LEU A 77 30.403 3.175 9.781 1.00 17.37 C ATOM 0 H LEU A 77 32.392 -1.020 11.113 1.00 15.42 H new ATOM 0 HA LEU A 77 33.170 1.386 12.437 1.00 17.20 H new ATOM 0 HB2 LEU A 77 32.445 1.649 10.247 1.00 16.56 H new ATOM 0 HB3 LEU A 77 31.127 0.508 10.424 1.00 16.56 H new ATOM 0 HG LEU A 77 29.731 2.086 11.488 1.00 16.69 H new ATOM 0 HD11 LEU A 77 30.496 4.295 12.252 1.00 15.87 H new ATOM 0 HD12 LEU A 77 31.347 2.975 13.089 1.00 15.87 H new ATOM 0 HD13 LEU A 77 32.162 3.875 11.788 1.00 15.87 H new ATOM 0 HD21 LEU A 77 29.705 3.998 9.932 1.00 17.37 H new ATOM 0 HD22 LEU A 77 31.338 3.562 9.376 1.00 17.37 H new ATOM 0 HD23 LEU A 77 29.973 2.459 9.081 1.00 17.37 H new ATOM 431 N TYR A 78 30.225 0.126 13.278 1.00 19.49 N ATOM 432 CA TYR A 78 29.239 0.105 14.350 1.00 21.68 C ATOM 433 C TYR A 78 29.861 -0.435 15.633 1.00 22.56 C ATOM 434 O TYR A 78 29.400 -0.134 16.734 1.00 23.13 O ATOM 435 CB TYR A 78 28.032 -0.747 13.955 1.00 23.29 C ATOM 436 CG TYR A 78 27.230 -0.171 12.811 1.00 23.47 C ATOM 437 CD1 TYR A 78 27.103 1.220 12.645 1.00 24.18 C ATOM 438 CD2 TYR A 78 26.591 -1.012 11.885 1.00 23.31 C ATOM 439 CE1 TYR A 78 26.362 1.755 11.588 1.00 24.72 C ATOM 440 CE2 TYR A 78 25.848 -0.485 10.825 1.00 23.85 C ATOM 441 CZ TYR A 78 25.737 0.898 10.682 1.00 24.55 C ATOM 442 OH TYR A 78 25.006 1.420 9.643 1.00 25.41 O ATOM 0 H TYR A 78 29.982 -0.443 12.467 1.00 19.49 H new ATOM 0 HA TYR A 78 28.902 1.127 14.524 1.00 21.68 H new ATOM 0 HB2 TYR A 78 28.377 -1.744 13.680 1.00 23.29 H new ATOM 0 HB3 TYR A 78 27.381 -0.863 14.821 1.00 23.29 H new ATOM 0 HD1 TYR A 78 27.586 1.885 13.346 1.00 24.18 H new ATOM 0 HD2 TYR A 78 26.675 -2.083 11.994 1.00 23.31 H new ATOM 0 HE1 TYR A 78 26.274 2.825 11.473 1.00 24.72 H new ATOM 0 HE2 TYR A 78 25.363 -1.145 10.121 1.00 23.85 H new ATOM 0 HH TYR A 78 24.355 2.064 9.992 1.00 25.41 H new ATOM 452 N LYS A 79 30.918 -1.228 15.483 1.00 22.75 N ATOM 453 CA LYS A 79 31.610 -1.802 16.628 1.00 23.72 C ATOM 454 C LYS A 79 32.279 -0.706 17.448 1.00 23.62 C ATOM 455 O LYS A 79 32.340 -0.780 18.675 1.00 23.40 O ATOM 456 CB LYS A 79 32.656 -2.816 16.162 1.00 22.39 C ATOM 457 CG LYS A 79 32.520 -4.180 16.816 1.00 24.19 C ATOM 458 CD LYS A 79 33.438 -5.201 16.165 1.00 24.36 C ATOM 459 CE LYS A 79 32.954 -6.622 16.405 1.00 25.20 C ATOM 460 NZ LYS A 79 33.813 -7.625 15.716 1.00 25.48 N ATOM 0 H LYS A 79 31.313 -1.487 14.579 1.00 22.75 H new ATOM 0 HA LYS A 79 30.877 -2.312 17.254 1.00 23.72 H new ATOM 0 HB2 LYS A 79 32.580 -2.932 15.081 1.00 22.39 H new ATOM 0 HB3 LYS A 79 33.650 -2.421 16.371 1.00 22.39 H new ATOM 0 HG2 LYS A 79 32.755 -4.101 17.877 1.00 24.19 H new ATOM 0 HG3 LYS A 79 31.487 -4.519 16.743 1.00 24.19 H new ATOM 0 HD2 LYS A 79 33.493 -5.011 15.093 1.00 24.36 H new ATOM 0 HD3 LYS A 79 34.447 -5.088 16.561 1.00 24.36 H new ATOM 0 HE2 LYS A 79 32.945 -6.826 17.476 1.00 25.20 H new ATOM 0 HE3 LYS A 79 31.927 -6.720 16.053 1.00 25.20 H new ATOM 0 HZ1 LYS A 79 33.450 -8.581 15.904 1.00 25.48 H new ATOM 0 HZ2 LYS A 79 33.802 -7.446 14.692 1.00 25.48 H new ATOM 0 HZ3 LYS A 79 34.788 -7.549 16.070 1.00 25.48 H new ATOM 474 N LYS A 80 32.779 0.316 16.758 1.00 23.91 N ATOM 475 CA LYS A 80 33.443 1.431 17.417 1.00 24.11 C ATOM 476 C LYS A 80 32.449 2.249 18.236 1.00 26.96 C ATOM 477 O LYS A 80 32.804 2.838 19.256 1.00 27.65 O ATOM 478 CB LYS A 80 34.131 2.326 16.385 1.00 23.02 C ATOM 479 CG LYS A 80 35.648 2.280 16.456 1.00 21.77 C ATOM 480 CD LYS A 80 36.209 1.120 15.648 1.00 21.76 C ATOM 481 CE LYS A 80 36.685 1.575 14.277 1.00 21.33 C ATOM 482 NZ LYS A 80 37.585 0.572 13.642 1.00 20.97 N ATOM 0 H LYS A 80 32.735 0.393 15.742 1.00 23.91 H new ATOM 0 HA LYS A 80 34.196 1.025 18.093 1.00 24.11 H new ATOM 0 HB2 LYS A 80 33.813 2.026 15.387 1.00 23.02 H new ATOM 0 HB3 LYS A 80 33.800 3.354 16.530 1.00 23.02 H new ATOM 0 HG2 LYS A 80 36.059 3.218 16.082 1.00 21.77 H new ATOM 0 HG3 LYS A 80 35.962 2.186 17.496 1.00 21.77 H new ATOM 0 HD2 LYS A 80 37.038 0.665 16.190 1.00 21.76 H new ATOM 0 HD3 LYS A 80 35.444 0.352 15.532 1.00 21.76 H new ATOM 0 HE2 LYS A 80 35.823 1.749 13.633 1.00 21.33 H new ATOM 0 HE3 LYS A 80 37.210 2.526 14.372 1.00 21.33 H new ATOM 0 HZ1 LYS A 80 37.888 0.919 12.709 1.00 20.97 H new ATOM 0 HZ2 LYS A 80 38.420 0.424 14.244 1.00 20.97 H new ATOM 0 HZ3 LYS A 80 37.076 -0.328 13.528 1.00 20.97 H new ATOM 496 N THR A 81 31.199 2.278 17.782 1.00 28.63 N ATOM 497 CA THR A 81 30.152 3.022 18.472 1.00 31.41 C ATOM 498 C THR A 81 29.846 2.398 19.828 1.00 32.36 C ATOM 499 O THR A 81 30.288 2.891 20.866 1.00 31.86 O ATOM 500 CB THR A 81 28.881 3.071 17.621 1.00 32.66 C ATOM 501 OG1 THR A 81 29.009 2.243 16.479 1.00 30.85 O ATOM 502 CG2 THR A 81 28.534 4.464 17.140 1.00 33.80 C ATOM 0 H THR A 81 30.888 1.795 16.939 1.00 28.63 H new ATOM 0 HA THR A 81 30.511 4.039 18.632 1.00 31.41 H new ATOM 0 HB THR A 81 28.083 2.721 18.276 1.00 32.66 H new ATOM 0 HG1 THR A 81 28.677 1.345 16.687 1.00 30.85 H new ATOM 0 HG21 THR A 81 27.623 4.426 16.543 1.00 33.80 H new ATOM 0 HG22 THR A 81 28.379 5.117 17.999 1.00 33.80 H new ATOM 0 HG23 THR A 81 29.351 4.853 16.532 1.00 33.80 H new ATOM 566 N ASP B 54 24.662 -5.542 18.893 1.00 33.46 N ATOM 567 CA ASP B 54 23.880 -5.307 17.684 1.00 31.80 C ATOM 568 C ASP B 54 24.729 -4.671 16.584 1.00 30.82 C ATOM 569 O ASP B 54 24.352 -4.687 15.412 1.00 30.53 O ATOM 570 CB ASP B 54 22.682 -4.407 17.996 1.00 32.07 C ATOM 571 CG ASP B 54 21.401 -5.196 18.190 1.00 31.52 C ATOM 572 OD1 ASP B 54 20.826 -5.651 17.179 1.00 29.92 O ATOM 573 OD2 ASP B 54 20.974 -5.357 19.351 1.00 32.82 O ATOM 0 HA ASP B 54 23.526 -6.274 17.325 1.00 31.80 H new ATOM 0 HB2 ASP B 54 22.890 -3.829 18.897 1.00 32.07 H new ATOM 0 HB3 ASP B 54 22.546 -3.693 17.184 1.00 32.07 H new ATOM 578 N ALA B 55 25.874 -4.109 16.965 1.00 30.40 N ATOM 579 CA ALA B 55 26.767 -3.469 16.006 1.00 29.51 C ATOM 580 C ALA B 55 27.021 -4.369 14.804 1.00 28.42 C ATOM 581 O ALA B 55 27.086 -3.902 13.667 1.00 27.39 O ATOM 582 CB ALA B 55 28.081 -3.097 16.676 1.00 30.14 C ATOM 0 H ALA B 55 26.204 -4.085 17.930 1.00 30.40 H new ATOM 0 HA ALA B 55 26.283 -2.560 15.649 1.00 29.51 H new ATOM 0 HB1 ALA B 55 28.738 -2.620 15.949 1.00 30.14 H new ATOM 0 HB2 ALA B 55 27.888 -2.407 17.498 1.00 30.14 H new ATOM 0 HB3 ALA B 55 28.560 -3.997 17.062 1.00 30.14 H new ATOM 588 N GLU B 56 27.162 -5.664 15.062 1.00 28.70 N ATOM 589 CA GLU B 56 27.408 -6.632 13.997 1.00 27.76 C ATOM 590 C GLU B 56 26.120 -6.941 13.242 1.00 27.16 C ATOM 591 O GLU B 56 26.091 -6.919 12.011 1.00 27.76 O ATOM 592 CB GLU B 56 28.002 -7.919 14.570 1.00 28.49 C ATOM 593 CG GLU B 56 28.512 -8.878 13.505 1.00 29.90 C ATOM 594 CD GLU B 56 28.242 -10.329 13.849 1.00 30.52 C ATOM 595 OE1 GLU B 56 27.089 -10.648 14.208 1.00 31.05 O ATOM 596 OE2 GLU B 56 29.182 -11.146 13.758 1.00 30.55 O ATOM 0 H GLU B 56 27.111 -6.068 15.997 1.00 28.70 H new ATOM 0 HA GLU B 56 28.123 -6.195 13.300 1.00 27.76 H new ATOM 0 HB2 GLU B 56 28.822 -7.664 15.241 1.00 28.49 H new ATOM 0 HB3 GLU B 56 27.245 -8.424 15.170 1.00 28.49 H new ATOM 0 HG2 GLU B 56 28.040 -8.641 12.552 1.00 29.90 H new ATOM 0 HG3 GLU B 56 29.584 -8.733 13.374 1.00 29.90 H new ATOM 603 N ARG B 57 25.055 -7.224 13.985 1.00 26.15 N ATOM 604 CA ARG B 57 23.766 -7.532 13.379 1.00 25.78 C ATOM 605 C ARG B 57 23.351 -6.422 12.421 1.00 23.86 C ATOM 606 O ARG B 57 22.743 -6.676 11.381 1.00 23.69 O ATOM 607 CB ARG B 57 22.697 -7.716 14.459 1.00 25.99 C ATOM 608 CG ARG B 57 22.984 -8.868 15.408 1.00 26.51 C ATOM 609 CD ARG B 57 22.891 -10.210 14.699 1.00 27.31 C ATOM 610 NE ARG B 57 21.525 -10.519 14.289 1.00 26.93 N ATOM 611 CZ ARG B 57 21.131 -11.723 13.887 1.00 26.82 C ATOM 612 NH1 ARG B 57 21.998 -12.726 13.845 1.00 26.91 N ATOM 613 NH2 ARG B 57 19.871 -11.925 13.527 1.00 26.81 N ATOM 0 H ARG B 57 25.059 -7.246 15.005 1.00 26.15 H new ATOM 0 HA ARG B 57 23.864 -8.462 12.820 1.00 25.78 H new ATOM 0 HB2 ARG B 57 22.612 -6.794 15.035 1.00 25.99 H new ATOM 0 HB3 ARG B 57 21.733 -7.883 13.979 1.00 25.99 H new ATOM 0 HG2 ARG B 57 23.980 -8.749 15.835 1.00 26.51 H new ATOM 0 HG3 ARG B 57 22.276 -8.843 16.237 1.00 26.51 H new ATOM 0 HD2 ARG B 57 23.539 -10.203 13.823 1.00 27.31 H new ATOM 0 HD3 ARG B 57 23.257 -10.995 15.360 1.00 27.31 H new ATOM 0 HE ARG B 57 20.834 -9.769 14.312 1.00 26.93 H new ATOM 0 HH11 ARG B 57 22.968 -12.574 14.121 1.00 26.91 H new ATOM 0 HH12 ARG B 57 21.695 -13.650 13.536 1.00 26.91 H new ATOM 0 HH21 ARG B 57 19.202 -11.156 13.558 1.00 26.81 H new ATOM 0 HH22 ARG B 57 19.571 -12.850 13.219 1.00 26.81 H new ATOM 627 N LEU B 58 23.686 -5.188 12.782 1.00 22.52 N ATOM 628 CA LEU B 58 23.356 -4.032 11.959 1.00 20.90 C ATOM 629 C LEU B 58 24.105 -4.079 10.633 1.00 19.00 C ATOM 630 O LEU B 58 23.499 -4.181 9.567 1.00 17.24 O ATOM 631 CB LEU B 58 23.697 -2.738 12.702 1.00 21.76 C ATOM 632 CG LEU B 58 22.734 -2.364 13.833 1.00 21.91 C ATOM 633 CD1 LEU B 58 23.450 -1.538 14.888 1.00 21.57 C ATOM 634 CD2 LEU B 58 21.536 -1.606 13.282 1.00 21.83 C ATOM 0 H LEU B 58 24.187 -4.963 13.641 1.00 22.52 H new ATOM 0 HA LEU B 58 22.286 -4.056 11.754 1.00 20.90 H new ATOM 0 HB2 LEU B 58 24.701 -2.829 13.116 1.00 21.76 H new ATOM 0 HB3 LEU B 58 23.722 -1.920 11.982 1.00 21.76 H new ATOM 0 HG LEU B 58 22.375 -3.281 14.300 1.00 21.91 H new ATOM 0 HD11 LEU B 58 22.752 -1.281 15.684 1.00 21.57 H new ATOM 0 HD12 LEU B 58 24.277 -2.115 15.303 1.00 21.57 H new ATOM 0 HD13 LEU B 58 23.836 -0.625 14.435 1.00 21.57 H new ATOM 0 HD21 LEU B 58 20.862 -1.348 14.099 1.00 21.83 H new ATOM 0 HD22 LEU B 58 21.877 -0.695 12.791 1.00 21.83 H new ATOM 0 HD23 LEU B 58 21.010 -2.232 12.561 1.00 21.83 H new ATOM 646 N ALA B 59 25.429 -4.005 10.713 1.00 19.59 N ATOM 647 CA ALA B 59 26.276 -4.038 9.526 1.00 18.15 C ATOM 648 C ALA B 59 25.860 -5.158 8.579 1.00 17.35 C ATOM 649 O ALA B 59 26.067 -5.070 7.369 1.00 17.86 O ATOM 650 CB ALA B 59 27.735 -4.203 9.927 1.00 18.55 C ATOM 0 H ALA B 59 25.941 -3.921 11.591 1.00 19.59 H new ATOM 0 HA ALA B 59 26.155 -3.091 9.000 1.00 18.15 H new ATOM 0 HB1 ALA B 59 28.358 -4.226 9.033 1.00 18.55 H new ATOM 0 HB2 ALA B 59 28.036 -3.366 10.557 1.00 18.55 H new ATOM 0 HB3 ALA B 59 27.858 -5.135 10.479 1.00 18.55 H new ATOM 656 N ASP B 60 25.271 -6.210 9.137 1.00 16.33 N ATOM 657 CA ASP B 60 24.824 -7.347 8.340 1.00 15.71 C ATOM 658 C ASP B 60 23.641 -6.963 7.460 1.00 13.01 C ATOM 659 O ASP B 60 23.717 -7.037 6.234 1.00 12.53 O ATOM 660 CB ASP B 60 24.441 -8.516 9.250 1.00 16.10 C ATOM 661 CG ASP B 60 24.742 -9.862 8.623 1.00 17.76 C ATOM 662 OD1 ASP B 60 25.896 -10.326 8.740 1.00 20.08 O ATOM 663 OD2 ASP B 60 23.825 -10.453 8.015 1.00 16.80 O ATOM 0 H ASP B 60 25.092 -6.299 10.137 1.00 16.33 H new ATOM 0 HA ASP B 60 25.648 -7.653 7.695 1.00 15.71 H new ATOM 0 HB2 ASP B 60 24.980 -8.430 10.193 1.00 16.10 H new ATOM 0 HB3 ASP B 60 23.378 -8.457 9.484 1.00 16.10 H new ATOM 668 N GLU B 61 22.548 -6.548 8.091 1.00 11.68 N ATOM 669 CA GLU B 61 21.353 -6.147 7.359 1.00 9.17 C ATOM 670 C GLU B 61 21.659 -4.975 6.431 1.00 9.03 C ATOM 671 O GLU B 61 20.973 -4.767 5.431 1.00 8.39 O ATOM 672 CB GLU B 61 20.237 -5.765 8.333 1.00 7.66 C ATOM 673 CG GLU B 61 19.796 -6.910 9.229 1.00 9.57 C ATOM 674 CD GLU B 61 18.288 -7.003 9.359 1.00 8.76 C ATOM 675 OE1 GLU B 61 17.730 -6.356 10.269 1.00 10.31 O ATOM 676 OE2 GLU B 61 17.666 -7.722 8.548 1.00 7.09 O ATOM 0 H GLU B 61 22.465 -6.481 9.105 1.00 11.68 H new ATOM 0 HA GLU B 61 21.022 -6.992 6.755 1.00 9.17 H new ATOM 0 HB2 GLU B 61 20.577 -4.937 8.955 1.00 7.66 H new ATOM 0 HB3 GLU B 61 19.378 -5.406 7.766 1.00 7.66 H new ATOM 0 HG2 GLU B 61 20.181 -7.848 8.829 1.00 9.57 H new ATOM 0 HG3 GLU B 61 20.235 -6.782 10.218 1.00 9.57 H new ATOM 683 N GLN B 62 22.695 -4.215 6.771 1.00 10.08 N ATOM 684 CA GLN B 62 23.099 -3.065 5.972 1.00 10.05 C ATOM 685 C GLN B 62 23.761 -3.508 4.672 1.00 11.11 C ATOM 686 O GLN B 62 23.477 -2.963 3.604 1.00 11.40 O ATOM 687 CB GLN B 62 24.056 -2.182 6.771 1.00 9.47 C ATOM 688 CG GLN B 62 23.579 -1.899 8.185 1.00 9.42 C ATOM 689 CD GLN B 62 23.300 -0.430 8.427 1.00 7.16 C ATOM 690 OE1 GLN B 62 23.451 0.400 7.532 1.00 6.59 O ATOM 691 NE2 GLN B 62 22.888 -0.100 9.647 1.00 6.29 N ATOM 0 H GLN B 62 23.271 -4.376 7.597 1.00 10.08 H new ATOM 0 HA GLN B 62 22.205 -2.493 5.723 1.00 10.05 H new ATOM 0 HB2 GLN B 62 25.032 -2.664 6.815 1.00 9.47 H new ATOM 0 HB3 GLN B 62 24.191 -1.237 6.245 1.00 9.47 H new ATOM 0 HG2 GLN B 62 22.673 -2.473 8.380 1.00 9.42 H new ATOM 0 HG3 GLN B 62 24.333 -2.243 8.894 1.00 9.42 H new ATOM 0 HE21 GLN B 62 22.776 -0.821 10.360 1.00 6.29 H new ATOM 0 HE22 GLN B 62 22.684 0.874 9.870 1.00 6.29 H new ATOM 700 N SER B 63 24.643 -4.498 4.767 1.00 11.76 N ATOM 701 CA SER B 63 25.341 -5.010 3.592 1.00 12.78 C ATOM 702 C SER B 63 24.361 -5.650 2.616 1.00 11.94 C ATOM 703 O SER B 63 24.253 -5.231 1.464 1.00 10.40 O ATOM 704 CB SER B 63 26.406 -6.027 4.004 1.00 15.83 C ATOM 705 OG SER B 63 27.028 -5.651 5.221 1.00 17.00 O ATOM 0 H SER B 63 24.891 -4.960 5.642 1.00 11.76 H new ATOM 0 HA SER B 63 25.827 -4.170 3.095 1.00 12.78 H new ATOM 0 HB2 SER B 63 25.950 -7.011 4.114 1.00 15.83 H new ATOM 0 HB3 SER B 63 27.157 -6.110 3.219 1.00 15.83 H new ATOM 0 HG SER B 63 26.455 -5.907 5.974 1.00 17.00 H new ATOM 711 N GLU B 64 23.648 -6.670 3.085 1.00 13.39 N ATOM 712 CA GLU B 64 22.677 -7.369 2.256 1.00 13.73 C ATOM 713 C GLU B 64 21.752 -6.382 1.550 1.00 11.38 C ATOM 714 O GLU B 64 21.315 -6.621 0.425 1.00 11.70 O ATOM 715 CB GLU B 64 21.859 -8.334 3.115 1.00 15.87 C ATOM 716 CG GLU B 64 21.120 -7.655 4.257 1.00 15.31 C ATOM 717 CD GLU B 64 19.651 -7.437 3.951 1.00 15.78 C ATOM 718 OE1 GLU B 64 19.207 -7.838 2.854 1.00 15.52 O ATOM 719 OE2 GLU B 64 18.944 -6.868 4.809 1.00 16.54 O ATOM 0 H GLU B 64 23.726 -7.030 4.036 1.00 13.39 H new ATOM 0 HA GLU B 64 23.216 -7.933 1.495 1.00 13.73 H new ATOM 0 HB2 GLU B 64 21.137 -8.849 2.481 1.00 15.87 H new ATOM 0 HB3 GLU B 64 22.523 -9.095 3.525 1.00 15.87 H new ATOM 0 HG2 GLU B 64 21.214 -8.262 5.158 1.00 15.31 H new ATOM 0 HG3 GLU B 64 21.590 -6.695 4.469 1.00 15.31 H new ATOM 726 N LEU B 65 21.463 -5.271 2.220 1.00 9.63 N ATOM 727 CA LEU B 65 20.596 -4.245 1.658 1.00 7.66 C ATOM 728 C LEU B 65 21.243 -3.593 0.441 1.00 6.30 C ATOM 729 O LEU B 65 20.591 -3.374 -0.580 1.00 5.52 O ATOM 730 CB LEU B 65 20.283 -3.181 2.714 1.00 8.31 C ATOM 731 CG LEU B 65 18.799 -2.861 2.895 1.00 9.52 C ATOM 732 CD1 LEU B 65 18.386 -3.053 4.346 1.00 10.34 C ATOM 733 CD2 LEU B 65 18.502 -1.442 2.438 1.00 8.67 C ATOM 0 H LEU B 65 21.817 -5.059 3.153 1.00 9.63 H new ATOM 0 HA LEU B 65 19.668 -4.721 1.342 1.00 7.66 H new ATOM 0 HB2 LEU B 65 20.686 -3.512 3.671 1.00 8.31 H new ATOM 0 HB3 LEU B 65 20.807 -2.263 2.448 1.00 8.31 H new ATOM 0 HG LEU B 65 18.219 -3.549 2.279 1.00 9.52 H new ATOM 0 HD11 LEU B 65 17.327 -2.821 4.457 1.00 10.34 H new ATOM 0 HD12 LEU B 65 18.564 -4.087 4.641 1.00 10.34 H new ATOM 0 HD13 LEU B 65 18.971 -2.389 4.982 1.00 10.34 H new ATOM 0 HD21 LEU B 65 17.441 -1.231 2.574 1.00 8.67 H new ATOM 0 HD22 LEU B 65 19.090 -0.739 3.028 1.00 8.67 H new ATOM 0 HD23 LEU B 65 18.761 -1.337 1.384 1.00 8.67 H new ATOM 745 N VAL B 66 22.531 -3.283 0.559 1.00 6.76 N ATOM 746 CA VAL B 66 23.268 -2.652 -0.529 1.00 6.88 C ATOM 747 C VAL B 66 23.332 -3.556 -1.755 1.00 7.37 C ATOM 748 O VAL B 66 23.298 -3.081 -2.891 1.00 7.59 O ATOM 749 CB VAL B 66 24.702 -2.286 -0.100 1.00 7.81 C ATOM 750 CG1 VAL B 66 25.310 -1.282 -1.067 1.00 8.45 C ATOM 751 CG2 VAL B 66 24.713 -1.742 1.320 1.00 8.12 C ATOM 0 H VAL B 66 23.085 -3.459 1.397 1.00 6.76 H new ATOM 0 HA VAL B 66 22.728 -1.740 -0.784 1.00 6.88 H new ATOM 0 HB VAL B 66 25.309 -3.191 -0.123 1.00 7.81 H new ATOM 0 HG11 VAL B 66 26.323 -1.036 -0.747 1.00 8.45 H new ATOM 0 HG12 VAL B 66 25.340 -1.713 -2.068 1.00 8.45 H new ATOM 0 HG13 VAL B 66 24.704 -0.376 -1.080 1.00 8.45 H new ATOM 0 HG21 VAL B 66 25.734 -1.489 1.605 1.00 8.12 H new ATOM 0 HG22 VAL B 66 24.090 -0.849 1.372 1.00 8.12 H new ATOM 0 HG23 VAL B 66 24.322 -2.497 2.002 1.00 8.12 H new ATOM 761 N LYS B 67 23.428 -4.858 -1.520 1.00 8.11 N ATOM 762 CA LYS B 67 23.500 -5.827 -2.609 1.00 8.81 C ATOM 763 C LYS B 67 22.252 -5.760 -3.483 1.00 8.14 C ATOM 764 O LYS B 67 22.344 -5.598 -4.699 1.00 8.45 O ATOM 765 CB LYS B 67 23.672 -7.242 -2.053 1.00 9.86 C ATOM 766 CG LYS B 67 23.589 -8.329 -3.113 1.00 12.85 C ATOM 767 CD LYS B 67 22.563 -9.388 -2.744 1.00 13.70 C ATOM 768 CE LYS B 67 22.314 -10.348 -3.896 1.00 15.71 C ATOM 769 NZ LYS B 67 20.868 -10.443 -4.237 1.00 15.16 N ATOM 0 H LYS B 67 23.458 -5.269 -0.587 1.00 8.11 H new ATOM 0 HA LYS B 67 24.365 -5.578 -3.224 1.00 8.81 H new ATOM 0 HB2 LYS B 67 24.636 -7.310 -1.550 1.00 9.86 H new ATOM 0 HB3 LYS B 67 22.906 -7.422 -1.299 1.00 9.86 H new ATOM 0 HG2 LYS B 67 23.325 -7.884 -4.072 1.00 12.85 H new ATOM 0 HG3 LYS B 67 24.567 -8.795 -3.236 1.00 12.85 H new ATOM 0 HD2 LYS B 67 22.910 -9.945 -1.874 1.00 13.70 H new ATOM 0 HD3 LYS B 67 21.627 -8.906 -2.462 1.00 13.70 H new ATOM 0 HE2 LYS B 67 22.872 -10.017 -4.772 1.00 15.71 H new ATOM 0 HE3 LYS B 67 22.691 -11.336 -3.633 1.00 15.71 H new ATOM 0 HZ1 LYS B 67 20.741 -11.107 -5.027 1.00 15.16 H new ATOM 0 HZ2 LYS B 67 20.338 -10.783 -3.410 1.00 15.16 H new ATOM 0 HZ3 LYS B 67 20.514 -9.505 -4.513 1.00 15.16 H new ATOM 783 N LYS B 68 21.087 -5.890 -2.857 1.00 7.97 N ATOM 784 CA LYS B 68 19.823 -5.846 -3.583 1.00 7.85 C ATOM 785 C LYS B 68 19.714 -4.572 -4.414 1.00 7.94 C ATOM 786 O LYS B 68 19.161 -4.583 -5.514 1.00 8.15 O ATOM 787 CB LYS B 68 18.647 -5.939 -2.610 1.00 7.00 C ATOM 788 CG LYS B 68 17.545 -6.875 -3.078 1.00 7.48 C ATOM 789 CD LYS B 68 16.489 -7.074 -2.003 1.00 8.37 C ATOM 790 CE LYS B 68 15.624 -8.291 -2.290 1.00 9.05 C ATOM 791 NZ LYS B 68 14.318 -8.224 -1.579 1.00 9.60 N ATOM 0 H LYS B 68 20.992 -6.026 -1.851 1.00 7.97 H new ATOM 0 HA LYS B 68 19.793 -6.700 -4.259 1.00 7.85 H new ATOM 0 HB2 LYS B 68 19.013 -6.278 -1.641 1.00 7.00 H new ATOM 0 HB3 LYS B 68 18.229 -4.943 -2.462 1.00 7.00 H new ATOM 0 HG2 LYS B 68 17.079 -6.470 -3.976 1.00 7.48 H new ATOM 0 HG3 LYS B 68 17.976 -7.839 -3.349 1.00 7.48 H new ATOM 0 HD2 LYS B 68 16.973 -7.191 -1.033 1.00 8.37 H new ATOM 0 HD3 LYS B 68 15.860 -6.186 -1.940 1.00 8.37 H new ATOM 0 HE2 LYS B 68 15.450 -8.367 -3.363 1.00 9.05 H new ATOM 0 HE3 LYS B 68 16.156 -9.194 -1.988 1.00 9.05 H new ATOM 0 HZ1 LYS B 68 13.758 -9.072 -1.801 1.00 9.60 H new ATOM 0 HZ2 LYS B 68 14.483 -8.177 -0.553 1.00 9.60 H new ATOM 0 HZ3 LYS B 68 13.799 -7.376 -1.885 1.00 9.60 H new ATOM 805 N MET B 69 20.244 -3.476 -3.882 1.00 7.98 N ATOM 806 CA MET B 69 20.204 -2.196 -4.579 1.00 8.35 C ATOM 807 C MET B 69 21.103 -2.221 -5.811 1.00 9.33 C ATOM 808 O MET B 69 20.675 -1.868 -6.911 1.00 11.25 O ATOM 809 CB MET B 69 20.636 -1.067 -3.641 1.00 7.56 C ATOM 810 CG MET B 69 20.546 0.313 -4.270 1.00 8.87 C ATOM 811 SD MET B 69 21.323 1.589 -3.260 1.00 7.91 S ATOM 812 CE MET B 69 22.992 0.952 -3.134 1.00 5.21 C ATOM 0 H MET B 69 20.705 -3.448 -2.973 1.00 7.98 H new ATOM 0 HA MET B 69 19.178 -2.018 -4.902 1.00 8.35 H new ATOM 0 HB2 MET B 69 20.014 -1.091 -2.746 1.00 7.56 H new ATOM 0 HB3 MET B 69 21.662 -1.245 -3.320 1.00 7.56 H new ATOM 0 HG2 MET B 69 21.021 0.292 -5.251 1.00 8.87 H new ATOM 0 HG3 MET B 69 19.498 0.568 -4.428 1.00 8.87 H new ATOM 0 HE1 MET B 69 23.702 1.776 -3.199 1.00 5.21 H new ATOM 0 HE2 MET B 69 23.115 0.441 -2.179 1.00 5.21 H new ATOM 0 HE3 MET B 69 23.176 0.250 -3.947 1.00 5.21 H new ATOM 822 N VAL B 70 22.349 -2.640 -5.620 1.00 8.21 N ATOM 823 CA VAL B 70 23.306 -2.708 -6.718 1.00 8.94 C ATOM 824 C VAL B 70 23.021 -3.899 -7.632 1.00 10.69 C ATOM 825 O VAL B 70 23.457 -3.924 -8.782 1.00 11.02 O ATOM 826 CB VAL B 70 24.753 -2.803 -6.196 1.00 8.51 C ATOM 827 CG1 VAL B 70 25.738 -2.864 -7.353 1.00 7.72 C ATOM 828 CG2 VAL B 70 25.065 -1.624 -5.284 1.00 8.58 C ATOM 0 H VAL B 70 22.719 -2.937 -4.717 1.00 8.21 H new ATOM 0 HA VAL B 70 23.195 -1.787 -7.290 1.00 8.94 H new ATOM 0 HB VAL B 70 24.853 -3.722 -5.618 1.00 8.51 H new ATOM 0 HG11 VAL B 70 26.754 -2.931 -6.963 1.00 7.72 H new ATOM 0 HG12 VAL B 70 25.526 -3.740 -7.965 1.00 7.72 H new ATOM 0 HG13 VAL B 70 25.641 -1.965 -7.961 1.00 7.72 H new ATOM 0 HG21 VAL B 70 26.090 -1.705 -4.923 1.00 8.58 H new ATOM 0 HG22 VAL B 70 24.948 -0.693 -5.839 1.00 8.58 H new ATOM 0 HG23 VAL B 70 24.380 -1.629 -4.436 1.00 8.58 H new ATOM 838 N PHE B 71 22.285 -4.881 -7.117 1.00 12.31 N ATOM 839 CA PHE B 71 21.945 -6.065 -7.898 1.00 14.11 C ATOM 840 C PHE B 71 21.018 -5.701 -9.052 1.00 16.83 C ATOM 841 O PHE B 71 21.203 -6.159 -10.180 1.00 18.27 O ATOM 842 CB PHE B 71 21.280 -7.117 -7.008 1.00 14.31 C ATOM 843 CG PHE B 71 20.981 -8.406 -7.722 1.00 13.77 C ATOM 844 CD1 PHE B 71 21.968 -9.044 -8.486 1.00 13.36 C ATOM 845 CD2 PHE B 71 19.709 -8.992 -7.636 1.00 13.97 C ATOM 846 CE1 PHE B 71 21.694 -10.242 -9.152 1.00 13.03 C ATOM 847 CE2 PHE B 71 19.429 -10.190 -8.299 1.00 13.50 C ATOM 848 CZ PHE B 71 20.422 -10.815 -9.058 1.00 12.97 C ATOM 0 H PHE B 71 21.915 -4.880 -6.167 1.00 12.31 H new ATOM 0 HA PHE B 71 22.867 -6.478 -8.308 1.00 14.11 H new ATOM 0 HB2 PHE B 71 21.929 -7.324 -6.157 1.00 14.31 H new ATOM 0 HB3 PHE B 71 20.352 -6.709 -6.608 1.00 14.31 H new ATOM 0 HD1 PHE B 71 22.952 -8.605 -8.561 1.00 13.36 H new ATOM 0 HD2 PHE B 71 18.938 -8.512 -7.051 1.00 13.97 H new ATOM 0 HE1 PHE B 71 22.463 -10.724 -9.738 1.00 13.03 H new ATOM 0 HE2 PHE B 71 18.446 -10.632 -8.225 1.00 13.50 H new ATOM 0 HZ PHE B 71 20.207 -11.740 -9.572 1.00 12.97 H new ATOM 858 N ASP B 72 20.021 -4.871 -8.763 1.00 17.78 N ATOM 859 CA ASP B 72 19.066 -4.440 -9.776 1.00 20.34 C ATOM 860 C ASP B 72 19.738 -3.531 -10.798 1.00 20.29 C ATOM 861 O ASP B 72 19.516 -3.664 -12.001 1.00 20.20 O ATOM 862 CB ASP B 72 17.892 -3.710 -9.122 1.00 21.48 C ATOM 863 CG ASP B 72 16.573 -4.004 -9.809 1.00 23.00 C ATOM 864 OD1 ASP B 72 16.594 -4.378 -11.000 1.00 23.83 O ATOM 865 OD2 ASP B 72 15.517 -3.861 -9.156 1.00 23.40 O ATOM 0 H ASP B 72 19.854 -4.483 -7.834 1.00 17.78 H new ATOM 0 HA ASP B 72 18.692 -5.325 -10.290 1.00 20.34 H new ATOM 0 HB2 ASP B 72 17.825 -4.001 -8.074 1.00 21.48 H new ATOM 0 HB3 ASP B 72 18.078 -2.636 -9.143 1.00 21.48 H new ATOM 870 N THR B 73 20.561 -2.608 -10.310 1.00 20.47 N ATOM 871 CA THR B 73 21.267 -1.676 -11.181 1.00 20.55 C ATOM 872 C THR B 73 22.093 -2.423 -12.223 1.00 22.16 C ATOM 873 O THR B 73 21.937 -2.208 -13.426 1.00 23.62 O ATOM 874 CB THR B 73 22.174 -0.763 -10.356 1.00 18.46 C ATOM 875 OG1 THR B 73 21.407 0.054 -9.489 1.00 19.10 O ATOM 876 CG2 THR B 73 23.038 0.147 -11.201 1.00 18.26 C ATOM 0 H THR B 73 20.755 -2.486 -9.316 1.00 20.47 H new ATOM 0 HA THR B 73 20.524 -1.069 -11.699 1.00 20.55 H new ATOM 0 HB THR B 73 22.825 -1.434 -9.795 1.00 18.46 H new ATOM 0 HG1 THR B 73 21.152 -0.461 -8.695 1.00 19.10 H new ATOM 0 HG21 THR B 73 23.656 0.767 -10.552 1.00 18.26 H new ATOM 0 HG22 THR B 73 23.679 -0.455 -11.846 1.00 18.26 H new ATOM 0 HG23 THR B 73 22.402 0.785 -11.815 1.00 18.26 H new ATOM 884 N LEU B 74 22.975 -3.301 -11.755 1.00 21.97 N ATOM 885 CA LEU B 74 23.828 -4.080 -12.647 1.00 23.59 C ATOM 886 C LEU B 74 23.004 -4.745 -13.746 1.00 25.59 C ATOM 887 O LEU B 74 23.413 -4.780 -14.907 1.00 27.35 O ATOM 888 CB LEU B 74 24.598 -5.139 -11.857 1.00 23.45 C ATOM 889 CG LEU B 74 25.672 -4.588 -10.917 1.00 22.30 C ATOM 890 CD1 LEU B 74 25.985 -5.592 -9.818 1.00 23.10 C ATOM 891 CD2 LEU B 74 26.930 -4.235 -11.695 1.00 21.95 C ATOM 0 H LEU B 74 23.118 -3.491 -10.763 1.00 21.97 H new ATOM 0 HA LEU B 74 24.539 -3.399 -13.114 1.00 23.59 H new ATOM 0 HB2 LEU B 74 23.887 -5.722 -11.271 1.00 23.45 H new ATOM 0 HB3 LEU B 74 25.069 -5.825 -12.561 1.00 23.45 H new ATOM 0 HG LEU B 74 25.290 -3.679 -10.452 1.00 22.30 H new ATOM 0 HD11 LEU B 74 26.751 -5.183 -9.159 1.00 23.10 H new ATOM 0 HD12 LEU B 74 25.082 -5.795 -9.243 1.00 23.10 H new ATOM 0 HD13 LEU B 74 26.347 -6.518 -10.264 1.00 23.10 H new ATOM 0 HD21 LEU B 74 27.683 -3.845 -11.011 1.00 21.95 H new ATOM 0 HD22 LEU B 74 27.315 -5.127 -12.188 1.00 21.95 H new ATOM 0 HD23 LEU B 74 26.694 -3.480 -12.445 1.00 21.95 H new ATOM 903 N LYS B 75 21.839 -5.268 -13.375 1.00 25.44 N ATOM 904 CA LYS B 75 20.959 -5.926 -14.334 1.00 27.32 C ATOM 905 C LYS B 75 20.714 -5.027 -15.540 1.00 27.81 C ATOM 906 O LYS B 75 20.813 -5.464 -16.686 1.00 29.09 O ATOM 907 CB LYS B 75 19.628 -6.294 -13.675 1.00 27.43 C ATOM 908 CG LYS B 75 19.230 -7.747 -13.877 1.00 26.59 C ATOM 909 CD LYS B 75 18.452 -8.281 -12.685 1.00 26.04 C ATOM 910 CE LYS B 75 17.048 -8.709 -13.082 1.00 28.43 C ATOM 911 NZ LYS B 75 16.166 -7.540 -13.354 1.00 29.21 N ATOM 0 H LYS B 75 21.483 -5.249 -12.419 1.00 25.44 H new ATOM 0 HA LYS B 75 21.447 -6.840 -14.673 1.00 27.32 H new ATOM 0 HB2 LYS B 75 19.692 -6.089 -12.606 1.00 27.43 H new ATOM 0 HB3 LYS B 75 18.844 -5.652 -14.076 1.00 27.43 H new ATOM 0 HG2 LYS B 75 18.624 -7.838 -14.779 1.00 26.59 H new ATOM 0 HG3 LYS B 75 20.123 -8.352 -14.031 1.00 26.59 H new ATOM 0 HD2 LYS B 75 18.983 -9.129 -12.253 1.00 26.04 H new ATOM 0 HD3 LYS B 75 18.395 -7.514 -11.913 1.00 26.04 H new ATOM 0 HE2 LYS B 75 17.098 -9.340 -13.969 1.00 28.43 H new ATOM 0 HE3 LYS B 75 16.614 -9.313 -12.285 1.00 28.43 H new ATOM 0 HZ1 LYS B 75 15.218 -7.875 -13.621 1.00 29.21 H new ATOM 0 HZ2 LYS B 75 16.097 -6.951 -12.500 1.00 29.21 H new ATOM 0 HZ3 LYS B 75 16.566 -6.977 -14.131 1.00 29.21 H new ATOM 925 N ASP B 76 20.401 -3.765 -15.269 1.00 26.92 N ATOM 926 CA ASP B 76 20.148 -2.796 -16.325 1.00 27.50 C ATOM 927 C ASP B 76 21.447 -2.423 -17.031 1.00 27.65 C ATOM 928 O ASP B 76 21.456 -2.133 -18.227 1.00 28.84 O ATOM 929 CB ASP B 76 19.486 -1.542 -15.751 1.00 26.24 C ATOM 930 CG ASP B 76 18.234 -1.147 -16.511 1.00 27.14 C ATOM 931 OD1 ASP B 76 18.324 -0.950 -17.741 1.00 27.46 O ATOM 932 OD2 ASP B 76 17.165 -1.035 -15.876 1.00 27.58 O ATOM 0 H ASP B 76 20.317 -3.390 -14.324 1.00 26.92 H new ATOM 0 HA ASP B 76 19.473 -3.250 -17.051 1.00 27.50 H new ATOM 0 HB2 ASP B 76 19.233 -1.715 -14.705 1.00 26.24 H new ATOM 0 HB3 ASP B 76 20.197 -0.716 -15.775 1.00 26.24 H new ATOM 937 N LEU B 77 22.543 -2.434 -16.278 1.00 26.48 N ATOM 938 CA LEU B 77 23.852 -2.100 -16.822 1.00 26.48 C ATOM 939 C LEU B 77 24.243 -3.079 -17.925 1.00 27.97 C ATOM 940 O LEU B 77 24.585 -2.675 -19.035 1.00 28.69 O ATOM 941 CB LEU B 77 24.903 -2.114 -15.711 1.00 25.63 C ATOM 942 CG LEU B 77 24.993 -0.830 -14.886 1.00 25.96 C ATOM 943 CD1 LEU B 77 25.871 -1.041 -13.663 1.00 24.02 C ATOM 944 CD2 LEU B 77 25.526 0.313 -15.737 1.00 27.47 C ATOM 0 H LEU B 77 22.549 -2.672 -15.286 1.00 26.48 H new ATOM 0 HA LEU B 77 23.801 -1.099 -17.251 1.00 26.48 H new ATOM 0 HB2 LEU B 77 24.687 -2.945 -15.039 1.00 25.63 H new ATOM 0 HB3 LEU B 77 25.878 -2.310 -16.157 1.00 25.63 H new ATOM 0 HG LEU B 77 23.991 -0.568 -14.546 1.00 25.96 H new ATOM 0 HD11 LEU B 77 25.923 -0.116 -13.088 1.00 24.02 H new ATOM 0 HD12 LEU B 77 25.447 -1.830 -13.042 1.00 24.02 H new ATOM 0 HD13 LEU B 77 26.874 -1.328 -13.980 1.00 24.02 H new ATOM 0 HD21 LEU B 77 25.584 1.219 -15.134 1.00 27.47 H new ATOM 0 HD22 LEU B 77 26.520 0.059 -16.106 1.00 27.47 H new ATOM 0 HD23 LEU B 77 24.857 0.481 -16.581 1.00 27.47 H new ATOM 956 N TYR B 78 24.189 -4.368 -17.608 1.00 28.46 N ATOM 957 CA TYR B 78 24.534 -5.407 -18.569 1.00 29.88 C ATOM 958 C TYR B 78 23.434 -5.563 -19.612 1.00 32.64 C ATOM 959 O TYR B 78 23.707 -5.813 -20.786 1.00 34.30 O ATOM 960 CB TYR B 78 24.762 -6.737 -17.849 1.00 28.68 C ATOM 961 CG TYR B 78 26.142 -6.874 -17.246 1.00 27.40 C ATOM 962 CD1 TYR B 78 27.295 -6.682 -18.028 1.00 26.11 C ATOM 963 CD2 TYR B 78 26.306 -7.197 -15.888 1.00 27.55 C ATOM 964 CE1 TYR B 78 28.571 -6.808 -17.473 1.00 25.10 C ATOM 965 CE2 TYR B 78 27.580 -7.324 -15.326 1.00 26.45 C ATOM 966 CZ TYR B 78 28.708 -7.130 -16.122 1.00 25.26 C ATOM 967 OH TYR B 78 29.963 -7.255 -15.573 1.00 24.36 O ATOM 0 H TYR B 78 23.909 -4.718 -16.692 1.00 28.46 H new ATOM 0 HA TYR B 78 25.453 -5.113 -19.075 1.00 29.88 H new ATOM 0 HB2 TYR B 78 24.018 -6.845 -17.060 1.00 28.68 H new ATOM 0 HB3 TYR B 78 24.600 -7.553 -18.553 1.00 28.68 H new ATOM 0 HD1 TYR B 78 27.193 -6.433 -19.074 1.00 26.11 H new ATOM 0 HD2 TYR B 78 25.434 -7.349 -15.269 1.00 27.55 H new ATOM 0 HE1 TYR B 78 29.447 -6.657 -18.086 1.00 25.10 H new ATOM 0 HE2 TYR B 78 27.690 -7.571 -14.280 1.00 26.45 H new ATOM 0 HH TYR B 78 29.883 -7.481 -14.623 1.00 24.36 H new ATOM 977 N LYS B 79 22.188 -5.414 -19.174 1.00 33.27 N ATOM 978 CA LYS B 79 21.042 -5.537 -20.067 1.00 35.92 C ATOM 979 C LYS B 79 21.052 -4.438 -21.126 1.00 37.77 C ATOM 980 O LYS B 79 20.463 -4.590 -22.195 1.00 39.48 O ATOM 981 CB LYS B 79 19.740 -5.481 -19.266 1.00 36.59 C ATOM 982 CG LYS B 79 18.492 -5.634 -20.120 1.00 37.66 C ATOM 983 CD LYS B 79 17.799 -6.962 -19.863 1.00 39.56 C ATOM 984 CE LYS B 79 16.989 -6.930 -18.577 1.00 39.89 C ATOM 985 NZ LYS B 79 17.848 -7.106 -17.374 1.00 40.06 N ATOM 0 H LYS B 79 21.946 -5.208 -18.205 1.00 33.27 H new ATOM 0 HA LYS B 79 21.109 -6.500 -20.573 1.00 35.92 H new ATOM 0 HB2 LYS B 79 19.753 -6.268 -18.512 1.00 36.59 H new ATOM 0 HB3 LYS B 79 19.691 -4.531 -18.734 1.00 36.59 H new ATOM 0 HG2 LYS B 79 17.803 -4.816 -19.909 1.00 37.66 H new ATOM 0 HG3 LYS B 79 18.760 -5.561 -21.174 1.00 37.66 H new ATOM 0 HD2 LYS B 79 17.143 -7.199 -20.701 1.00 39.56 H new ATOM 0 HD3 LYS B 79 18.543 -7.756 -19.806 1.00 39.56 H new ATOM 0 HE2 LYS B 79 16.457 -5.981 -18.507 1.00 39.89 H new ATOM 0 HE3 LYS B 79 16.236 -7.717 -18.603 1.00 39.89 H new ATOM 0 HZ1 LYS B 79 17.279 -7.495 -16.595 1.00 40.06 H new ATOM 0 HZ2 LYS B 79 18.625 -7.760 -17.595 1.00 40.06 H new ATOM 0 HZ3 LYS B 79 18.240 -6.186 -17.090 1.00 40.06 H new ATOM 1103 N ALA C 55 26.890 13.597 18.698 1.00 31.20 N ATOM 1104 CA ALA C 55 26.473 12.284 18.226 1.00 28.95 C ATOM 1105 C ALA C 55 25.744 12.396 16.893 1.00 26.93 C ATOM 1106 O ALA C 55 25.993 11.620 15.969 1.00 25.65 O ATOM 1107 CB ALA C 55 25.587 11.605 19.260 1.00 27.94 C ATOM 0 HA ALA C 55 27.365 11.675 18.078 1.00 28.95 H new ATOM 0 HB1 ALA C 55 25.284 10.625 18.892 1.00 27.94 H new ATOM 0 HB2 ALA C 55 26.140 11.488 20.192 1.00 27.94 H new ATOM 0 HB3 ALA C 55 24.702 12.216 19.438 1.00 27.94 H new ATOM 1113 N GLU C 56 24.846 13.373 16.794 1.00 26.83 N ATOM 1114 CA GLU C 56 24.087 13.589 15.568 1.00 25.19 C ATOM 1115 C GLU C 56 25.021 13.955 14.423 1.00 25.79 C ATOM 1116 O GLU C 56 24.973 13.353 13.349 1.00 25.75 O ATOM 1117 CB GLU C 56 23.048 14.695 15.770 1.00 25.69 C ATOM 1118 CG GLU C 56 22.191 14.954 14.542 1.00 26.02 C ATOM 1119 CD GLU C 56 20.965 15.791 14.851 1.00 26.73 C ATOM 1120 OE1 GLU C 56 20.786 16.171 16.028 1.00 28.26 O ATOM 1121 OE2 GLU C 56 20.185 16.069 13.916 1.00 25.99 O ATOM 0 H GLU C 56 24.627 14.026 17.547 1.00 26.83 H new ATOM 0 HA GLU C 56 23.569 12.663 15.317 1.00 25.19 H new ATOM 0 HB2 GLU C 56 22.401 14.426 16.605 1.00 25.69 H new ATOM 0 HB3 GLU C 56 23.560 15.617 16.047 1.00 25.69 H new ATOM 0 HG2 GLU C 56 22.791 15.460 13.786 1.00 26.02 H new ATOM 0 HG3 GLU C 56 21.878 14.001 14.115 1.00 26.02 H new ATOM 1128 N ARG C 57 25.875 14.942 14.665 1.00 26.45 N ATOM 1129 CA ARG C 57 26.831 15.387 13.662 1.00 27.08 C ATOM 1130 C ARG C 57 27.819 14.274 13.340 1.00 27.52 C ATOM 1131 O ARG C 57 28.092 13.986 12.176 1.00 28.02 O ATOM 1132 CB ARG C 57 27.580 16.627 14.152 1.00 27.26 C ATOM 1133 CG ARG C 57 28.433 17.286 13.081 1.00 26.26 C ATOM 1134 CD ARG C 57 28.225 18.791 13.049 1.00 25.61 C ATOM 1135 NE ARG C 57 29.123 19.488 13.963 1.00 26.40 N ATOM 1136 CZ ARG C 57 28.988 20.768 14.296 1.00 25.80 C ATOM 1137 NH1 ARG C 57 27.994 21.484 13.788 1.00 24.53 N ATOM 1138 NH2 ARG C 57 29.847 21.333 15.134 1.00 26.61 N ATOM 0 H ARG C 57 25.924 15.449 15.549 1.00 26.45 H new ATOM 0 HA ARG C 57 26.284 15.644 12.755 1.00 27.08 H new ATOM 0 HB2 ARG C 57 26.858 17.353 14.527 1.00 27.26 H new ATOM 0 HB3 ARG C 57 28.217 16.348 14.991 1.00 27.26 H new ATOM 0 HG2 ARG C 57 29.485 17.067 13.267 1.00 26.26 H new ATOM 0 HG3 ARG C 57 28.186 16.863 12.107 1.00 26.26 H new ATOM 0 HD2 ARG C 57 28.385 19.157 12.035 1.00 25.61 H new ATOM 0 HD3 ARG C 57 27.192 19.020 13.312 1.00 25.61 H new ATOM 0 HE ARG C 57 29.898 18.964 14.369 1.00 26.40 H new ATOM 0 HH11 ARG C 57 27.333 21.053 13.142 1.00 24.53 H new ATOM 0 HH12 ARG C 57 27.890 22.466 14.043 1.00 24.53 H new ATOM 0 HH21 ARG C 57 30.614 20.785 15.525 1.00 26.61 H new ATOM 0 HH22 ARG C 57 29.741 22.315 15.388 1.00 26.61 H new ATOM 1152 N LEU C 58 28.346 13.648 14.386 1.00 27.36 N ATOM 1153 CA LEU C 58 29.298 12.558 14.223 1.00 27.76 C ATOM 1154 C LEU C 58 28.724 11.477 13.315 1.00 25.41 C ATOM 1155 O LEU C 58 29.394 11.000 12.398 1.00 24.11 O ATOM 1156 CB LEU C 58 29.661 11.959 15.583 1.00 28.66 C ATOM 1157 CG LEU C 58 30.780 12.683 16.332 1.00 29.19 C ATOM 1158 CD1 LEU C 58 31.081 11.985 17.650 1.00 28.72 C ATOM 1159 CD2 LEU C 58 32.031 12.761 15.471 1.00 30.02 C ATOM 0 H LEU C 58 28.129 13.877 15.356 1.00 27.36 H new ATOM 0 HA LEU C 58 30.201 12.959 13.762 1.00 27.76 H new ATOM 0 HB2 LEU C 58 28.769 11.954 16.210 1.00 28.66 H new ATOM 0 HB3 LEU C 58 29.955 10.919 15.438 1.00 28.66 H new ATOM 0 HG LEU C 58 30.448 13.698 16.551 1.00 29.19 H new ATOM 0 HD11 LEU C 58 31.880 12.515 18.168 1.00 28.72 H new ATOM 0 HD12 LEU C 58 30.186 11.980 18.272 1.00 28.72 H new ATOM 0 HD13 LEU C 58 31.393 10.959 17.455 1.00 28.72 H new ATOM 0 HD21 LEU C 58 32.818 13.279 16.019 1.00 30.02 H new ATOM 0 HD22 LEU C 58 32.365 11.754 15.222 1.00 30.02 H new ATOM 0 HD23 LEU C 58 31.808 13.306 14.554 1.00 30.02 H new ATOM 1171 N ALA C 59 27.476 11.099 13.571 1.00 25.02 N ATOM 1172 CA ALA C 59 26.808 10.081 12.773 1.00 22.87 C ATOM 1173 C ALA C 59 26.910 10.408 11.290 1.00 22.17 C ATOM 1174 O ALA C 59 27.158 9.530 10.463 1.00 21.83 O ATOM 1175 CB ALA C 59 25.349 9.956 13.188 1.00 20.88 C ATOM 0 H ALA C 59 26.908 11.483 14.326 1.00 25.02 H new ATOM 0 HA ALA C 59 27.304 9.127 12.949 1.00 22.87 H new ATOM 0 HB1 ALA C 59 24.863 9.191 12.583 1.00 20.88 H new ATOM 0 HB2 ALA C 59 25.293 9.676 14.240 1.00 20.88 H new ATOM 0 HB3 ALA C 59 24.845 10.911 13.039 1.00 20.88 H new ATOM 1181 N ASP C 60 26.724 11.682 10.962 1.00 22.39 N ATOM 1182 CA ASP C 60 26.803 12.133 9.579 1.00 22.31 C ATOM 1183 C ASP C 60 28.223 11.981 9.048 1.00 21.89 C ATOM 1184 O ASP C 60 28.431 11.722 7.862 1.00 21.84 O ATOM 1185 CB ASP C 60 26.356 13.592 9.471 1.00 24.28 C ATOM 1186 CG ASP C 60 26.217 14.050 8.032 1.00 25.23 C ATOM 1187 OD1 ASP C 60 27.076 13.679 7.205 1.00 25.60 O ATOM 1188 OD2 ASP C 60 25.247 14.778 7.733 1.00 25.78 O ATOM 0 H ASP C 60 26.518 12.420 11.635 1.00 22.39 H new ATOM 0 HA ASP C 60 26.138 11.514 8.977 1.00 22.31 H new ATOM 0 HB2 ASP C 60 25.401 13.715 9.982 1.00 24.28 H new ATOM 0 HB3 ASP C 60 27.077 14.229 9.984 1.00 24.28 H new ATOM 1193 N GLU C 61 29.200 12.139 9.937 1.00 21.83 N ATOM 1194 CA GLU C 61 30.602 12.015 9.561 1.00 21.46 C ATOM 1195 C GLU C 61 30.938 10.571 9.213 1.00 19.71 C ATOM 1196 O GLU C 61 31.587 10.298 8.203 1.00 19.38 O ATOM 1197 CB GLU C 61 31.504 12.505 10.695 1.00 22.43 C ATOM 1198 CG GLU C 61 32.932 12.788 10.257 1.00 23.99 C ATOM 1199 CD GLU C 61 33.926 12.667 11.393 1.00 25.46 C ATOM 1200 OE1 GLU C 61 34.110 11.542 11.904 1.00 25.59 O ATOM 1201 OE2 GLU C 61 34.522 13.697 11.773 1.00 26.64 O ATOM 0 H GLU C 61 29.045 12.353 10.922 1.00 21.83 H new ATOM 0 HA GLU C 61 30.776 12.634 8.681 1.00 21.46 H new ATOM 0 HB2 GLU C 61 31.077 13.413 11.122 1.00 22.43 H new ATOM 0 HB3 GLU C 61 31.517 11.756 11.487 1.00 22.43 H new ATOM 0 HG2 GLU C 61 33.208 12.095 9.462 1.00 23.99 H new ATOM 0 HG3 GLU C 61 32.987 13.792 9.837 1.00 23.99 H new ATOM 1208 N GLN C 62 30.486 9.649 10.055 1.00 19.03 N ATOM 1209 CA GLN C 62 30.731 8.230 9.835 1.00 17.81 C ATOM 1210 C GLN C 62 30.052 7.763 8.553 1.00 16.92 C ATOM 1211 O GLN C 62 30.598 6.948 7.811 1.00 17.23 O ATOM 1212 CB GLN C 62 30.225 7.410 11.024 1.00 16.11 C ATOM 1213 CG GLN C 62 30.659 7.961 12.373 1.00 16.62 C ATOM 1214 CD GLN C 62 32.166 8.087 12.493 1.00 16.64 C ATOM 1215 OE1 GLN C 62 32.912 7.547 11.677 1.00 15.97 O ATOM 1216 NE2 GLN C 62 32.619 8.802 13.515 1.00 17.65 N ATOM 0 H GLN C 62 29.948 9.859 10.896 1.00 19.03 H new ATOM 0 HA GLN C 62 31.806 8.080 9.736 1.00 17.81 H new ATOM 0 HB2 GLN C 62 29.136 7.371 10.990 1.00 16.11 H new ATOM 0 HB3 GLN C 62 30.584 6.385 10.927 1.00 16.11 H new ATOM 0 HG2 GLN C 62 30.203 8.939 12.526 1.00 16.62 H new ATOM 0 HG3 GLN C 62 30.288 7.309 13.164 1.00 16.62 H new ATOM 0 HE21 GLN C 62 31.963 9.232 14.167 1.00 17.65 H new ATOM 0 HE22 GLN C 62 33.623 8.922 13.648 1.00 17.65 H new ATOM 1225 N SER C 63 28.861 8.293 8.298 1.00 16.14 N ATOM 1226 CA SER C 63 28.109 7.938 7.101 1.00 15.28 C ATOM 1227 C SER C 63 28.873 8.351 5.849 1.00 14.24 C ATOM 1228 O SER C 63 28.910 7.617 4.861 1.00 13.30 O ATOM 1229 CB SER C 63 26.733 8.606 7.120 1.00 15.26 C ATOM 1230 OG SER C 63 26.140 8.520 8.405 1.00 14.76 O ATOM 0 H SER C 63 28.396 8.969 8.904 1.00 16.14 H new ATOM 0 HA SER C 63 27.975 6.856 7.087 1.00 15.28 H new ATOM 0 HB2 SER C 63 26.830 9.652 6.830 1.00 15.26 H new ATOM 0 HB3 SER C 63 26.084 8.130 6.384 1.00 15.26 H new ATOM 0 HG SER C 63 26.472 9.250 8.968 1.00 14.76 H new ATOM 1236 N GLU C 64 29.489 9.528 5.901 1.00 14.48 N ATOM 1237 CA GLU C 64 30.259 10.037 4.774 1.00 13.63 C ATOM 1238 C GLU C 64 31.387 9.075 4.417 1.00 13.10 C ATOM 1239 O GLU C 64 31.713 8.891 3.245 1.00 12.14 O ATOM 1240 CB GLU C 64 30.834 11.416 5.103 1.00 14.11 C ATOM 1241 CG GLU C 64 29.782 12.431 5.523 1.00 14.01 C ATOM 1242 CD GLU C 64 29.638 13.568 4.531 1.00 14.94 C ATOM 1243 OE1 GLU C 64 29.184 13.312 3.396 1.00 15.39 O ATOM 1244 OE2 GLU C 64 29.979 14.715 4.890 1.00 15.32 O ATOM 0 H GLU C 64 29.469 10.146 6.712 1.00 14.48 H new ATOM 0 HA GLU C 64 29.592 10.127 3.917 1.00 13.63 H new ATOM 0 HB2 GLU C 64 31.567 11.313 5.903 1.00 14.11 H new ATOM 0 HB3 GLU C 64 31.366 11.796 4.231 1.00 14.11 H new ATOM 0 HG2 GLU C 64 28.822 11.928 5.635 1.00 14.01 H new ATOM 0 HG3 GLU C 64 30.044 12.837 6.500 1.00 14.01 H new ATOM 1251 N LEU C 65 31.978 8.463 5.438 1.00 14.04 N ATOM 1252 CA LEU C 65 33.069 7.515 5.236 1.00 13.63 C ATOM 1253 C LEU C 65 32.590 6.299 4.452 1.00 12.08 C ATOM 1254 O LEU C 65 33.285 5.807 3.563 1.00 13.19 O ATOM 1255 CB LEU C 65 33.645 7.074 6.583 1.00 13.60 C ATOM 1256 CG LEU C 65 34.679 8.024 7.186 1.00 15.55 C ATOM 1257 CD1 LEU C 65 34.454 8.177 8.682 1.00 16.54 C ATOM 1258 CD2 LEU C 65 36.088 7.524 6.905 1.00 17.73 C ATOM 0 H LEU C 65 31.720 8.606 6.414 1.00 14.04 H new ATOM 0 HA LEU C 65 33.850 8.012 4.661 1.00 13.63 H new ATOM 0 HB2 LEU C 65 32.825 6.957 7.291 1.00 13.60 H new ATOM 0 HB3 LEU C 65 34.103 6.092 6.461 1.00 13.60 H new ATOM 0 HG LEU C 65 34.562 9.002 6.720 1.00 15.55 H new ATOM 0 HD11 LEU C 65 35.199 8.857 9.094 1.00 16.54 H new ATOM 0 HD12 LEU C 65 33.457 8.580 8.861 1.00 16.54 H new ATOM 0 HD13 LEU C 65 34.544 7.204 9.165 1.00 16.54 H new ATOM 0 HD21 LEU C 65 36.812 8.212 7.341 1.00 17.73 H new ATOM 0 HD22 LEU C 65 36.217 6.535 7.344 1.00 17.73 H new ATOM 0 HD23 LEU C 65 36.246 7.466 5.828 1.00 17.73 H new ATOM 1270 N VAL C 66 31.396 5.820 4.785 1.00 9.78 N ATOM 1271 CA VAL C 66 30.822 4.667 4.111 1.00 8.45 C ATOM 1272 C VAL C 66 30.327 5.046 2.720 1.00 8.12 C ATOM 1273 O VAL C 66 30.579 4.339 1.745 1.00 9.35 O ATOM 1274 CB VAL C 66 29.654 4.066 4.916 1.00 8.51 C ATOM 1275 CG1 VAL C 66 29.156 2.787 4.262 1.00 8.14 C ATOM 1276 CG2 VAL C 66 30.074 3.810 6.356 1.00 9.25 C ATOM 0 H VAL C 66 30.808 6.215 5.519 1.00 9.78 H new ATOM 0 HA VAL C 66 31.611 3.920 4.027 1.00 8.45 H new ATOM 0 HB VAL C 66 28.834 4.784 4.923 1.00 8.51 H new ATOM 0 HG11 VAL C 66 28.331 2.377 4.845 1.00 8.14 H new ATOM 0 HG12 VAL C 66 28.812 3.005 3.251 1.00 8.14 H new ATOM 0 HG13 VAL C 66 29.967 2.060 4.220 1.00 8.14 H new ATOM 0 HG21 VAL C 66 29.236 3.386 6.909 1.00 9.25 H new ATOM 0 HG22 VAL C 66 30.911 3.112 6.372 1.00 9.25 H new ATOM 0 HG23 VAL C 66 30.376 4.749 6.819 1.00 9.25 H new ATOM 1286 N LYS C 67 29.624 6.170 2.639 1.00 7.19 N ATOM 1287 CA LYS C 67 29.095 6.653 1.371 1.00 8.21 C ATOM 1288 C LYS C 67 30.223 6.872 0.368 1.00 9.87 C ATOM 1289 O LYS C 67 30.211 6.310 -0.727 1.00 10.92 O ATOM 1290 CB LYS C 67 28.319 7.956 1.584 1.00 9.99 C ATOM 1291 CG LYS C 67 27.903 8.640 0.293 1.00 10.75 C ATOM 1292 CD LYS C 67 27.251 9.987 0.565 1.00 12.59 C ATOM 1293 CE LYS C 67 27.319 10.897 -0.652 1.00 15.15 C ATOM 1294 NZ LYS C 67 28.266 12.028 -0.446 1.00 17.11 N ATOM 0 H LYS C 67 29.407 6.764 3.439 1.00 7.19 H new ATOM 0 HA LYS C 67 28.417 5.899 0.971 1.00 8.21 H new ATOM 0 HB2 LYS C 67 27.428 7.745 2.176 1.00 9.99 H new ATOM 0 HB3 LYS C 67 28.933 8.643 2.166 1.00 9.99 H new ATOM 0 HG2 LYS C 67 28.776 8.779 -0.345 1.00 10.75 H new ATOM 0 HG3 LYS C 67 27.208 8.001 -0.252 1.00 10.75 H new ATOM 0 HD2 LYS C 67 26.210 9.837 0.850 1.00 12.59 H new ATOM 0 HD3 LYS C 67 27.746 10.468 1.408 1.00 12.59 H new ATOM 0 HE2 LYS C 67 27.629 10.318 -1.522 1.00 15.15 H new ATOM 0 HE3 LYS C 67 26.325 11.290 -0.868 1.00 15.15 H new ATOM 0 HZ1 LYS C 67 28.284 12.625 -1.297 1.00 17.11 H new ATOM 0 HZ2 LYS C 67 27.957 12.596 0.369 1.00 17.11 H new ATOM 0 HZ3 LYS C 67 29.219 11.654 -0.265 1.00 17.11 H new ATOM 1308 N LYS C 68 31.199 7.688 0.751 1.00 10.32 N ATOM 1309 CA LYS C 68 32.336 7.972 -0.116 1.00 11.96 C ATOM 1310 C LYS C 68 33.022 6.676 -0.534 1.00 10.48 C ATOM 1311 O LYS C 68 33.572 6.579 -1.630 1.00 10.99 O ATOM 1312 CB LYS C 68 33.333 8.892 0.592 1.00 14.42 C ATOM 1313 CG LYS C 68 34.103 8.210 1.709 1.00 15.48 C ATOM 1314 CD LYS C 68 35.472 7.746 1.240 1.00 16.36 C ATOM 1315 CE LYS C 68 36.576 8.654 1.756 1.00 18.70 C ATOM 1316 NZ LYS C 68 37.077 8.216 3.088 1.00 20.04 N ATOM 0 H LYS C 68 31.226 8.163 1.653 1.00 10.32 H new ATOM 0 HA LYS C 68 31.969 8.478 -1.009 1.00 11.96 H new ATOM 0 HB2 LYS C 68 34.040 9.280 -0.141 1.00 14.42 H new ATOM 0 HB3 LYS C 68 32.797 9.748 1.002 1.00 14.42 H new ATOM 0 HG2 LYS C 68 34.218 8.899 2.546 1.00 15.48 H new ATOM 0 HG3 LYS C 68 33.534 7.356 2.075 1.00 15.48 H new ATOM 0 HD2 LYS C 68 35.649 6.726 1.582 1.00 16.36 H new ATOM 0 HD3 LYS C 68 35.496 7.725 0.150 1.00 16.36 H new ATOM 0 HE2 LYS C 68 37.401 8.664 1.043 1.00 18.70 H new ATOM 0 HE3 LYS C 68 36.203 9.676 1.826 1.00 18.70 H new ATOM 0 HZ1 LYS C 68 37.829 8.861 3.405 1.00 20.04 H new ATOM 0 HZ2 LYS C 68 36.296 8.230 3.775 1.00 20.04 H new ATOM 0 HZ3 LYS C 68 37.457 7.250 3.016 1.00 20.04 H new ATOM 1330 N MET C 69 32.981 5.682 0.348 1.00 8.84 N ATOM 1331 CA MET C 69 33.594 4.391 0.072 1.00 7.61 C ATOM 1332 C MET C 69 32.822 3.651 -1.016 1.00 5.48 C ATOM 1333 O MET C 69 33.413 3.004 -1.881 1.00 4.96 O ATOM 1334 CB MET C 69 33.647 3.544 1.345 1.00 7.22 C ATOM 1335 CG MET C 69 34.206 2.148 1.125 1.00 6.01 C ATOM 1336 SD MET C 69 34.275 1.180 2.643 1.00 7.57 S ATOM 1337 CE MET C 69 32.535 0.863 2.920 1.00 8.35 C ATOM 0 H MET C 69 32.529 5.748 1.260 1.00 8.84 H new ATOM 0 HA MET C 69 34.611 4.564 -0.280 1.00 7.61 H new ATOM 0 HB2 MET C 69 34.257 4.058 2.088 1.00 7.22 H new ATOM 0 HB3 MET C 69 32.642 3.463 1.759 1.00 7.22 H new ATOM 0 HG2 MET C 69 33.590 1.625 0.393 1.00 6.01 H new ATOM 0 HG3 MET C 69 35.208 2.225 0.702 1.00 6.01 H new ATOM 0 HE1 MET C 69 32.398 -0.176 3.221 1.00 8.35 H new ATOM 0 HE2 MET C 69 32.166 1.521 3.707 1.00 8.35 H new ATOM 0 HE3 MET C 69 31.980 1.050 2.001 1.00 8.35 H new ATOM 1347 N VAL C 70 31.497 3.756 -0.967 1.00 5.29 N ATOM 1348 CA VAL C 70 30.641 3.103 -1.946 1.00 4.49 C ATOM 1349 C VAL C 70 30.695 3.827 -3.285 1.00 6.14 C ATOM 1350 O VAL C 70 30.644 3.200 -4.343 1.00 6.57 O ATOM 1351 CB VAL C 70 29.179 3.032 -1.450 1.00 4.53 C ATOM 1352 CG1 VAL C 70 28.246 2.507 -2.534 1.00 3.69 C ATOM 1353 CG2 VAL C 70 29.092 2.163 -0.208 1.00 4.14 C ATOM 0 H VAL C 70 30.994 4.289 -0.257 1.00 5.29 H new ATOM 0 HA VAL C 70 31.014 2.087 -2.079 1.00 4.49 H new ATOM 0 HB VAL C 70 28.858 4.044 -1.201 1.00 4.53 H new ATOM 0 HG11 VAL C 70 27.226 2.470 -2.150 1.00 3.69 H new ATOM 0 HG12 VAL C 70 28.285 3.169 -3.399 1.00 3.69 H new ATOM 0 HG13 VAL C 70 28.559 1.505 -2.829 1.00 3.69 H new ATOM 0 HG21 VAL C 70 28.058 2.119 0.134 1.00 4.14 H new ATOM 0 HG22 VAL C 70 29.439 1.157 -0.443 1.00 4.14 H new ATOM 0 HG23 VAL C 70 29.716 2.588 0.578 1.00 4.14 H new ATOM 1363 N PHE C 71 30.801 5.150 -3.237 1.00 7.92 N ATOM 1364 CA PHE C 71 30.865 5.945 -4.453 1.00 10.14 C ATOM 1365 C PHE C 71 32.014 5.479 -5.337 1.00 9.73 C ATOM 1366 O PHE C 71 31.797 4.994 -6.445 1.00 10.66 O ATOM 1367 CB PHE C 71 31.032 7.428 -4.125 1.00 12.59 C ATOM 1368 CG PHE C 71 31.113 8.289 -5.350 1.00 14.20 C ATOM 1369 CD1 PHE C 71 30.033 8.364 -6.241 1.00 14.08 C ATOM 1370 CD2 PHE C 71 32.272 9.026 -5.629 1.00 16.07 C ATOM 1371 CE1 PHE C 71 30.108 9.157 -7.387 1.00 15.70 C ATOM 1372 CE2 PHE C 71 32.354 9.821 -6.775 1.00 17.87 C ATOM 1373 CZ PHE C 71 31.269 9.887 -7.655 1.00 17.65 C ATOM 0 H PHE C 71 30.844 5.690 -2.373 1.00 7.92 H new ATOM 0 HA PHE C 71 29.927 5.810 -4.991 1.00 10.14 H new ATOM 0 HB2 PHE C 71 30.193 7.756 -3.511 1.00 12.59 H new ATOM 0 HB3 PHE C 71 31.935 7.564 -3.530 1.00 12.59 H new ATOM 0 HD1 PHE C 71 29.133 7.802 -6.038 1.00 14.08 H new ATOM 0 HD2 PHE C 71 33.111 8.979 -4.951 1.00 16.07 H new ATOM 0 HE1 PHE C 71 29.270 9.206 -8.066 1.00 15.70 H new ATOM 0 HE2 PHE C 71 33.253 10.383 -6.981 1.00 17.87 H new ATOM 0 HZ PHE C 71 31.328 10.502 -8.541 1.00 17.65 H new ATOM 1383 N ASP C 72 33.238 5.624 -4.839 1.00 8.85 N ATOM 1384 CA ASP C 72 34.419 5.211 -5.589 1.00 8.44 C ATOM 1385 C ASP C 72 34.264 3.779 -6.089 1.00 6.96 C ATOM 1386 O ASP C 72 34.636 3.463 -7.220 1.00 6.64 O ATOM 1387 CB ASP C 72 35.671 5.326 -4.718 1.00 7.73 C ATOM 1388 CG ASP C 72 36.146 6.759 -4.577 1.00 10.27 C ATOM 1389 OD1 ASP C 72 35.855 7.573 -5.479 1.00 11.59 O ATOM 1390 OD2 ASP C 72 36.810 7.067 -3.565 1.00 11.16 O ATOM 0 H ASP C 72 33.438 6.023 -3.922 1.00 8.85 H new ATOM 0 HA ASP C 72 34.525 5.872 -6.449 1.00 8.44 H new ATOM 0 HB2 ASP C 72 35.462 4.916 -3.730 1.00 7.73 H new ATOM 0 HB3 ASP C 72 36.469 4.722 -5.151 1.00 7.73 H new ATOM 1395 N THR C 73 33.705 2.918 -5.245 1.00 7.05 N ATOM 1396 CA THR C 73 33.495 1.524 -5.607 1.00 7.32 C ATOM 1397 C THR C 73 32.465 1.415 -6.726 1.00 10.34 C ATOM 1398 O THR C 73 32.808 1.133 -7.874 1.00 11.49 O ATOM 1399 CB THR C 73 33.034 0.716 -4.387 1.00 6.41 C ATOM 1400 OG1 THR C 73 34.084 0.589 -3.447 1.00 6.25 O ATOM 1401 CG2 THR C 73 32.551 -0.683 -4.727 1.00 7.45 C ATOM 0 H THR C 73 33.390 3.163 -4.306 1.00 7.05 H new ATOM 0 HA THR C 73 34.442 1.115 -5.960 1.00 7.32 H new ATOM 0 HB THR C 73 32.195 1.277 -3.976 1.00 6.41 H new ATOM 0 HG1 THR C 73 34.050 1.338 -2.816 1.00 6.25 H new ATOM 0 HG21 THR C 73 32.242 -1.193 -3.815 1.00 7.45 H new ATOM 0 HG22 THR C 73 31.705 -0.620 -5.412 1.00 7.45 H new ATOM 0 HG23 THR C 73 33.359 -1.242 -5.199 1.00 7.45 H new ATOM 1409 N LEU C 74 31.201 1.638 -6.383 1.00 11.75 N ATOM 1410 CA LEU C 74 30.120 1.564 -7.358 1.00 14.63 C ATOM 1411 C LEU C 74 30.452 2.378 -8.604 1.00 16.31 C ATOM 1412 O LEU C 74 30.129 1.978 -9.723 1.00 18.55 O ATOM 1413 CB LEU C 74 28.813 2.053 -6.738 1.00 15.40 C ATOM 1414 CG LEU C 74 28.241 1.147 -5.645 1.00 15.53 C ATOM 1415 CD1 LEU C 74 26.795 1.516 -5.358 1.00 17.85 C ATOM 1416 CD2 LEU C 74 28.355 -0.317 -6.048 1.00 15.57 C ATOM 0 H LEU C 74 30.900 1.872 -5.437 1.00 11.75 H new ATOM 0 HA LEU C 74 30.001 0.522 -7.655 1.00 14.63 H new ATOM 0 HB2 LEU C 74 28.976 3.046 -6.319 1.00 15.40 H new ATOM 0 HB3 LEU C 74 28.070 2.159 -7.528 1.00 15.40 H new ATOM 0 HG LEU C 74 28.821 1.293 -4.734 1.00 15.53 H new ATOM 0 HD11 LEU C 74 26.401 0.864 -4.579 1.00 17.85 H new ATOM 0 HD12 LEU C 74 26.743 2.552 -5.024 1.00 17.85 H new ATOM 0 HD13 LEU C 74 26.202 1.397 -6.265 1.00 17.85 H new ATOM 0 HD21 LEU C 74 27.943 -0.945 -5.258 1.00 15.57 H new ATOM 0 HD22 LEU C 74 27.800 -0.485 -6.971 1.00 15.57 H new ATOM 0 HD23 LEU C 74 29.404 -0.571 -6.204 1.00 15.57 H new ATOM 1428 N LYS C 75 31.108 3.513 -8.404 1.00 15.58 N ATOM 1429 CA LYS C 75 31.496 4.374 -9.514 1.00 17.60 C ATOM 1430 C LYS C 75 32.355 3.599 -10.499 1.00 17.58 C ATOM 1431 O LYS C 75 31.947 3.332 -11.629 1.00 19.53 O ATOM 1432 CB LYS C 75 32.267 5.592 -8.999 1.00 17.55 C ATOM 1433 CG LYS C 75 32.879 6.441 -10.101 1.00 17.63 C ATOM 1434 CD LYS C 75 33.206 7.842 -9.610 1.00 18.28 C ATOM 1435 CE LYS C 75 34.669 8.184 -9.839 1.00 19.89 C ATOM 1436 NZ LYS C 75 34.874 9.645 -10.035 1.00 21.12 N ATOM 0 H LYS C 75 31.383 3.859 -7.485 1.00 15.58 H new ATOM 0 HA LYS C 75 30.593 4.717 -10.020 1.00 17.60 H new ATOM 0 HB2 LYS C 75 31.594 6.212 -8.406 1.00 17.55 H new ATOM 0 HB3 LYS C 75 33.059 5.253 -8.332 1.00 17.55 H new ATOM 0 HG2 LYS C 75 33.787 5.962 -10.469 1.00 17.63 H new ATOM 0 HG3 LYS C 75 32.188 6.501 -10.941 1.00 17.63 H new ATOM 0 HD2 LYS C 75 32.577 8.566 -10.127 1.00 18.28 H new ATOM 0 HD3 LYS C 75 32.975 7.920 -8.548 1.00 18.28 H new ATOM 0 HE2 LYS C 75 35.258 7.846 -8.987 1.00 19.89 H new ATOM 0 HE3 LYS C 75 35.035 7.646 -10.713 1.00 19.89 H new ATOM 0 HZ1 LYS C 75 35.885 9.836 -10.188 1.00 21.12 H new ATOM 0 HZ2 LYS C 75 34.332 9.964 -10.864 1.00 21.12 H new ATOM 0 HZ3 LYS C 75 34.549 10.158 -9.191 1.00 21.12 H new ATOM 1450 N ASP C 76 33.551 3.238 -10.052 1.00 15.38 N ATOM 1451 CA ASP C 76 34.484 2.484 -10.879 1.00 15.12 C ATOM 1452 C ASP C 76 33.911 1.113 -11.231 1.00 15.37 C ATOM 1453 O ASP C 76 34.256 0.533 -12.260 1.00 16.22 O ATOM 1454 CB ASP C 76 35.822 2.320 -10.157 1.00 12.64 C ATOM 1455 CG ASP C 76 36.989 2.829 -10.980 1.00 11.89 C ATOM 1456 OD1 ASP C 76 37.354 2.159 -11.969 1.00 12.35 O ATOM 1457 OD2 ASP C 76 37.538 3.896 -10.636 1.00 11.25 O ATOM 0 H ASP C 76 33.899 3.456 -9.118 1.00 15.38 H new ATOM 0 HA ASP C 76 34.644 3.040 -11.802 1.00 15.12 H new ATOM 0 HB2 ASP C 76 35.788 2.857 -9.209 1.00 12.64 H new ATOM 0 HB3 ASP C 76 35.978 1.267 -9.922 1.00 12.64 H new ATOM 1462 N LEU C 77 33.034 0.602 -10.371 1.00 14.98 N ATOM 1463 CA LEU C 77 32.416 -0.697 -10.595 1.00 15.93 C ATOM 1464 C LEU C 77 31.468 -0.636 -11.790 1.00 18.56 C ATOM 1465 O LEU C 77 31.653 -1.350 -12.776 1.00 19.27 O ATOM 1466 CB LEU C 77 31.678 -1.150 -9.326 1.00 16.30 C ATOM 1467 CG LEU C 77 30.548 -2.165 -9.529 1.00 18.39 C ATOM 1468 CD1 LEU C 77 30.956 -3.226 -10.540 1.00 18.41 C ATOM 1469 CD2 LEU C 77 30.165 -2.808 -8.205 1.00 19.29 C ATOM 0 H LEU C 77 32.737 1.069 -9.514 1.00 14.98 H new ATOM 0 HA LEU C 77 33.192 -1.428 -10.821 1.00 15.93 H new ATOM 0 HB2 LEU C 77 32.407 -1.581 -8.640 1.00 16.30 H new ATOM 0 HB3 LEU C 77 31.263 -0.268 -8.837 1.00 16.30 H new ATOM 0 HG LEU C 77 29.678 -1.637 -9.920 1.00 18.39 H new ATOM 0 HD11 LEU C 77 30.140 -3.937 -10.670 1.00 18.41 H new ATOM 0 HD12 LEU C 77 31.180 -2.751 -11.495 1.00 18.41 H new ATOM 0 HD13 LEU C 77 31.841 -3.751 -10.180 1.00 18.41 H new ATOM 0 HD21 LEU C 77 29.361 -3.526 -8.368 1.00 19.29 H new ATOM 0 HD22 LEU C 77 31.030 -3.321 -7.786 1.00 19.29 H new ATOM 0 HD23 LEU C 77 29.828 -2.038 -7.511 1.00 19.29 H new ATOM 1481 N TYR C 78 30.463 0.227 -11.705 1.00 20.09 N ATOM 1482 CA TYR C 78 29.504 0.380 -12.791 1.00 22.72 C ATOM 1483 C TYR C 78 30.213 0.820 -14.067 1.00 24.17 C ATOM 1484 O TYR C 78 29.731 0.579 -15.172 1.00 26.22 O ATOM 1485 CB TYR C 78 28.423 1.395 -12.415 1.00 23.29 C ATOM 1486 CG TYR C 78 27.532 0.943 -11.279 1.00 23.83 C ATOM 1487 CD1 TYR C 78 27.211 -0.416 -11.111 1.00 23.00 C ATOM 1488 CD2 TYR C 78 27.005 1.870 -10.366 1.00 25.23 C ATOM 1489 CE1 TYR C 78 26.388 -0.836 -10.062 1.00 23.58 C ATOM 1490 CE2 TYR C 78 26.183 1.457 -9.315 1.00 25.83 C ATOM 1491 CZ TYR C 78 25.877 0.104 -9.168 1.00 25.01 C ATOM 1492 OH TYR C 78 25.067 -0.306 -8.135 1.00 25.68 O ATOM 0 H TYR C 78 30.292 0.829 -10.899 1.00 20.09 H new ATOM 0 HA TYR C 78 29.029 -0.585 -12.967 1.00 22.72 H new ATOM 0 HB2 TYR C 78 28.900 2.335 -12.138 1.00 23.29 H new ATOM 0 HB3 TYR C 78 27.806 1.596 -13.291 1.00 23.29 H new ATOM 0 HD1 TYR C 78 27.606 -1.146 -11.802 1.00 23.00 H new ATOM 0 HD2 TYR C 78 27.239 2.918 -10.478 1.00 25.23 H new ATOM 0 HE1 TYR C 78 26.149 -1.883 -9.945 1.00 23.58 H new ATOM 0 HE2 TYR C 78 25.786 2.182 -8.619 1.00 25.83 H new ATOM 0 HH TYR C 78 24.286 -0.774 -8.498 1.00 25.68 H new ATOM 1502 N LYS C 79 31.368 1.460 -13.903 1.00 23.16 N ATOM 1503 CA LYS C 79 32.150 1.926 -15.040 1.00 24.36 C ATOM 1504 C LYS C 79 32.669 0.744 -15.849 1.00 25.82 C ATOM 1505 O LYS C 79 32.756 0.805 -17.075 1.00 27.30 O ATOM 1506 CB LYS C 79 33.323 2.784 -14.562 1.00 23.06 C ATOM 1507 CG LYS C 79 33.388 4.153 -15.221 1.00 22.80 C ATOM 1508 CD LYS C 79 34.433 5.038 -14.562 1.00 22.56 C ATOM 1509 CE LYS C 79 34.154 6.511 -14.812 1.00 23.05 C ATOM 1510 NZ LYS C 79 35.133 7.388 -14.113 1.00 23.07 N ATOM 0 H LYS C 79 31.781 1.667 -12.994 1.00 23.16 H new ATOM 0 HA LYS C 79 31.504 2.531 -15.676 1.00 24.36 H new ATOM 0 HB2 LYS C 79 33.250 2.914 -13.482 1.00 23.06 H new ATOM 0 HB3 LYS C 79 34.254 2.252 -14.757 1.00 23.06 H new ATOM 0 HG2 LYS C 79 33.622 4.038 -16.279 1.00 22.80 H new ATOM 0 HG3 LYS C 79 32.412 4.634 -15.161 1.00 22.80 H new ATOM 0 HD2 LYS C 79 34.449 4.847 -13.489 1.00 22.56 H new ATOM 0 HD3 LYS C 79 35.421 4.784 -14.946 1.00 22.56 H new ATOM 0 HE2 LYS C 79 34.188 6.710 -15.883 1.00 23.05 H new ATOM 0 HE3 LYS C 79 33.146 6.752 -14.475 1.00 23.05 H new ATOM 0 HZ1 LYS C 79 34.908 8.384 -14.309 1.00 23.07 H new ATOM 0 HZ2 LYS C 79 35.083 7.217 -13.088 1.00 23.07 H new ATOM 0 HZ3 LYS C 79 36.093 7.177 -14.453 1.00 23.07 H new ATOM 1524 N LYS C 80 33.012 -0.335 -15.150 1.00 25.53 N ATOM 1525 CA LYS C 80 33.523 -1.535 -15.801 1.00 26.85 C ATOM 1526 C LYS C 80 32.436 -2.209 -16.633 1.00 28.95 C ATOM 1527 O LYS C 80 32.721 -2.846 -17.645 1.00 30.62 O ATOM 1528 CB LYS C 80 34.065 -2.513 -14.758 1.00 25.63 C ATOM 1529 CG LYS C 80 35.575 -2.680 -14.807 1.00 23.28 C ATOM 1530 CD LYS C 80 36.279 -1.606 -13.995 1.00 21.70 C ATOM 1531 CE LYS C 80 36.670 -2.116 -12.617 1.00 20.15 C ATOM 1532 NZ LYS C 80 37.692 -1.248 -11.971 1.00 20.50 N ATOM 0 H LYS C 80 32.945 -0.402 -14.134 1.00 25.53 H new ATOM 0 HA LYS C 80 34.333 -1.240 -16.468 1.00 26.85 H new ATOM 0 HB2 LYS C 80 33.778 -2.168 -13.765 1.00 25.63 H new ATOM 0 HB3 LYS C 80 33.595 -3.486 -14.905 1.00 25.63 H new ATOM 0 HG2 LYS C 80 35.846 -3.664 -14.424 1.00 23.28 H new ATOM 0 HG3 LYS C 80 35.914 -2.636 -15.842 1.00 23.28 H new ATOM 0 HD2 LYS C 80 37.170 -1.272 -14.527 1.00 21.70 H new ATOM 0 HD3 LYS C 80 35.626 -0.740 -13.892 1.00 21.70 H new ATOM 0 HE2 LYS C 80 35.784 -2.166 -11.984 1.00 20.15 H new ATOM 0 HE3 LYS C 80 37.058 -3.131 -12.703 1.00 20.15 H new ATOM 0 HZ1 LYS C 80 37.931 -1.631 -11.034 1.00 20.50 H new ATOM 0 HZ2 LYS C 80 38.547 -1.220 -12.562 1.00 20.50 H new ATOM 0 HZ3 LYS C 80 37.313 -0.285 -11.865 1.00 20.50 H new ATOM 1546 N THR C 81 31.188 -2.061 -16.197 1.00 29.03 N ATOM 1547 CA THR C 81 30.058 -2.655 -16.901 1.00 31.14 C ATOM 1548 C THR C 81 29.861 -1.997 -18.262 1.00 33.53 C ATOM 1549 O THR C 81 30.245 -2.550 -19.293 1.00 34.06 O ATOM 1550 CB THR C 81 28.783 -2.526 -16.068 1.00 31.16 C ATOM 1551 OG1 THR C 81 29.014 -1.723 -14.922 1.00 29.49 O ATOM 1552 CG2 THR C 81 28.238 -3.856 -15.594 1.00 30.69 C ATOM 0 H THR C 81 30.935 -1.535 -15.360 1.00 29.03 H new ATOM 0 HA THR C 81 30.274 -3.712 -17.056 1.00 31.14 H new ATOM 0 HB THR C 81 28.049 -2.069 -16.732 1.00 31.16 H new ATOM 0 HG1 THR C 81 28.888 -0.779 -15.153 1.00 29.49 H new ATOM 0 HG21 THR C 81 27.333 -3.691 -15.009 1.00 30.69 H new ATOM 0 HG22 THR C 81 28.004 -4.481 -16.456 1.00 30.69 H new ATOM 0 HG23 THR C 81 28.984 -4.355 -14.975 1.00 30.69 H new ATOM 1616 N ASP D 54 25.685 6.596 -17.411 1.00 32.82 N ATOM 1617 CA ASP D 54 24.861 6.465 -16.214 1.00 30.02 C ATOM 1618 C ASP D 54 25.605 5.725 -15.102 1.00 29.45 C ATOM 1619 O ASP D 54 25.214 5.789 -13.937 1.00 28.37 O ATOM 1620 CB ASP D 54 23.562 5.727 -16.545 1.00 28.76 C ATOM 1621 CG ASP D 54 22.396 6.672 -16.758 1.00 26.60 C ATOM 1622 OD1 ASP D 54 21.869 7.199 -15.757 1.00 25.44 O ATOM 1623 OD2 ASP D 54 22.011 6.885 -17.927 1.00 26.16 O ATOM 0 HA ASP D 54 24.629 7.469 -15.860 1.00 30.02 H new ATOM 0 HB2 ASP D 54 23.708 5.127 -17.443 1.00 28.76 H new ATOM 0 HB3 ASP D 54 23.323 5.037 -15.736 1.00 28.76 H new ATOM 1628 N ALA D 55 26.674 5.022 -15.467 1.00 30.26 N ATOM 1629 CA ALA D 55 27.461 4.272 -14.495 1.00 29.90 C ATOM 1630 C ALA D 55 27.810 5.132 -13.287 1.00 28.05 C ATOM 1631 O ALA D 55 27.795 4.660 -12.151 1.00 26.62 O ATOM 1632 CB ALA D 55 28.727 3.733 -15.145 1.00 32.30 C ATOM 0 H ALA D 55 27.014 4.957 -16.427 1.00 30.26 H new ATOM 0 HA ALA D 55 26.858 3.433 -14.147 1.00 29.90 H new ATOM 0 HB1 ALA D 55 29.305 3.175 -14.408 1.00 32.30 H new ATOM 0 HB2 ALA D 55 28.460 3.074 -15.971 1.00 32.30 H new ATOM 0 HB3 ALA D 55 29.324 4.563 -15.522 1.00 32.30 H new ATOM 1638 N GLU D 56 28.123 6.398 -13.541 1.00 28.28 N ATOM 1639 CA GLU D 56 28.474 7.324 -12.472 1.00 26.86 C ATOM 1640 C GLU D 56 27.225 7.797 -11.736 1.00 24.45 C ATOM 1641 O GLU D 56 27.173 7.776 -10.506 1.00 24.25 O ATOM 1642 CB GLU D 56 29.238 8.525 -13.032 1.00 28.37 C ATOM 1643 CG GLU D 56 29.851 9.410 -11.958 1.00 29.50 C ATOM 1644 CD GLU D 56 29.773 10.884 -12.303 1.00 29.42 C ATOM 1645 OE1 GLU D 56 28.676 11.350 -12.678 1.00 28.69 O ATOM 1646 OE2 GLU D 56 30.809 11.574 -12.194 1.00 30.21 O ATOM 0 H GLU D 56 28.141 6.805 -14.476 1.00 28.28 H new ATOM 0 HA GLU D 56 29.116 6.797 -11.766 1.00 26.86 H new ATOM 0 HB2 GLU D 56 30.029 8.167 -13.691 1.00 28.37 H new ATOM 0 HB3 GLU D 56 28.561 9.124 -13.642 1.00 28.37 H new ATOM 0 HG2 GLU D 56 29.339 9.234 -11.012 1.00 29.50 H new ATOM 0 HG3 GLU D 56 30.894 9.129 -11.813 1.00 29.50 H new ATOM 1653 N ARG D 57 26.218 8.216 -12.495 1.00 22.80 N ATOM 1654 CA ARG D 57 24.968 8.687 -11.908 1.00 20.44 C ATOM 1655 C ARG D 57 24.398 7.639 -10.959 1.00 18.60 C ATOM 1656 O ARG D 57 23.813 7.971 -9.928 1.00 17.79 O ATOM 1657 CB ARG D 57 23.949 9.005 -13.004 1.00 19.26 C ATOM 1658 CG ARG D 57 24.393 10.113 -13.945 1.00 20.76 C ATOM 1659 CD ARG D 57 24.465 11.454 -13.235 1.00 19.73 C ATOM 1660 NE ARG D 57 23.142 11.938 -12.847 1.00 19.40 N ATOM 1661 CZ ARG D 57 22.903 13.183 -12.449 1.00 19.37 C ATOM 1662 NH1 ARG D 57 23.890 14.065 -12.391 1.00 19.70 N ATOM 1663 NH2 ARG D 57 21.673 13.546 -12.108 1.00 19.15 N ATOM 0 H ARG D 57 26.242 8.239 -13.514 1.00 22.80 H new ATOM 0 HA ARG D 57 25.176 9.597 -11.345 1.00 20.44 H new ATOM 0 HB2 ARG D 57 23.758 8.102 -13.584 1.00 19.26 H new ATOM 0 HB3 ARG D 57 23.005 9.291 -12.539 1.00 19.26 H new ATOM 0 HG2 ARG D 57 25.370 9.868 -14.361 1.00 20.76 H new ATOM 0 HG3 ARG D 57 23.698 10.181 -14.782 1.00 20.76 H new ATOM 0 HD2 ARG D 57 25.092 11.362 -12.348 1.00 19.73 H new ATOM 0 HD3 ARG D 57 24.942 12.185 -13.888 1.00 19.73 H new ATOM 0 HE ARG D 57 22.360 11.285 -12.884 1.00 19.40 H new ATOM 0 HH11 ARG D 57 24.837 13.789 -12.652 1.00 19.70 H new ATOM 0 HH12 ARG D 57 23.703 15.020 -12.085 1.00 19.70 H new ATOM 0 HH21 ARG D 57 20.911 12.869 -12.151 1.00 19.15 H new ATOM 0 HH22 ARG D 57 21.490 14.502 -11.802 1.00 19.15 H new ATOM 1677 N LEU D 58 24.578 6.372 -11.318 1.00 18.16 N ATOM 1678 CA LEU D 58 24.088 5.268 -10.503 1.00 16.41 C ATOM 1679 C LEU D 58 24.817 5.220 -9.165 1.00 16.26 C ATOM 1680 O LEU D 58 24.211 5.394 -8.108 1.00 15.27 O ATOM 1681 CB LEU D 58 24.272 3.941 -11.242 1.00 15.39 C ATOM 1682 CG LEU D 58 23.286 3.694 -12.386 1.00 14.76 C ATOM 1683 CD1 LEU D 58 23.902 2.779 -13.433 1.00 15.48 C ATOM 1684 CD2 LEU D 58 21.992 3.100 -11.853 1.00 12.56 C ATOM 0 H LEU D 58 25.061 6.085 -12.170 1.00 18.16 H new ATOM 0 HA LEU D 58 23.026 5.428 -10.316 1.00 16.41 H new ATOM 0 HB2 LEU D 58 25.285 3.903 -11.642 1.00 15.39 H new ATOM 0 HB3 LEU D 58 24.182 3.127 -10.523 1.00 15.39 H new ATOM 0 HG LEU D 58 23.058 4.650 -12.857 1.00 14.76 H new ATOM 0 HD11 LEU D 58 23.187 2.615 -14.239 1.00 15.48 H new ATOM 0 HD12 LEU D 58 24.803 3.242 -13.836 1.00 15.48 H new ATOM 0 HD13 LEU D 58 24.159 1.824 -12.975 1.00 15.48 H new ATOM 0 HD21 LEU D 58 21.302 2.931 -12.680 1.00 12.56 H new ATOM 0 HD22 LEU D 58 22.204 2.153 -11.357 1.00 12.56 H new ATOM 0 HD23 LEU D 58 21.541 3.790 -11.140 1.00 12.56 H new ATOM 1696 N ALA D 59 26.121 4.981 -9.225 1.00 17.29 N ATOM 1697 CA ALA D 59 26.948 4.905 -8.025 1.00 17.34 C ATOM 1698 C ALA D 59 26.664 6.067 -7.081 1.00 18.35 C ATOM 1699 O ALA D 59 26.838 5.951 -5.868 1.00 18.79 O ATOM 1700 CB ALA D 59 28.421 4.883 -8.404 1.00 17.54 C ATOM 0 H ALA D 59 26.632 4.836 -10.096 1.00 17.29 H new ATOM 0 HA ALA D 59 26.699 3.981 -7.503 1.00 17.34 H new ATOM 0 HB1 ALA D 59 29.028 4.826 -7.501 1.00 17.54 H new ATOM 0 HB2 ALA D 59 28.622 4.015 -9.032 1.00 17.54 H new ATOM 0 HB3 ALA D 59 28.669 5.792 -8.952 1.00 17.54 H new ATOM 1706 N ASP D 60 26.226 7.186 -7.645 1.00 18.99 N ATOM 1707 CA ASP D 60 25.917 8.371 -6.853 1.00 20.18 C ATOM 1708 C ASP D 60 24.683 8.137 -5.989 1.00 18.49 C ATOM 1709 O ASP D 60 24.752 8.195 -4.762 1.00 18.90 O ATOM 1710 CB ASP D 60 25.700 9.579 -7.764 1.00 22.23 C ATOM 1711 CG ASP D 60 26.165 10.875 -7.129 1.00 23.46 C ATOM 1712 OD1 ASP D 60 27.370 11.185 -7.227 1.00 24.89 O ATOM 1713 OD2 ASP D 60 25.322 11.580 -6.535 1.00 23.28 O ATOM 0 H ASP D 60 26.077 7.298 -8.648 1.00 18.99 H new ATOM 0 HA ASP D 60 26.764 8.572 -6.197 1.00 20.18 H new ATOM 0 HB2 ASP D 60 26.235 9.424 -8.701 1.00 22.23 H new ATOM 0 HB3 ASP D 60 24.641 9.658 -8.011 1.00 22.23 H new ATOM 1718 N GLU D 61 23.556 7.868 -6.638 1.00 16.72 N ATOM 1719 CA GLU D 61 22.310 7.620 -5.925 1.00 15.29 C ATOM 1720 C GLU D 61 22.450 6.417 -4.996 1.00 13.30 C ATOM 1721 O GLU D 61 21.730 6.298 -4.007 1.00 12.68 O ATOM 1722 CB GLU D 61 21.168 7.387 -6.917 1.00 14.92 C ATOM 1723 CG GLU D 61 20.892 8.580 -7.816 1.00 15.26 C ATOM 1724 CD GLU D 61 19.410 8.866 -7.968 1.00 15.70 C ATOM 1725 OE1 GLU D 61 18.787 8.294 -8.886 1.00 15.11 O ATOM 1726 OE2 GLU D 61 18.873 9.661 -7.167 1.00 16.90 O ATOM 0 H GLU D 61 23.480 7.816 -7.654 1.00 16.72 H new ATOM 0 HA GLU D 61 22.081 8.498 -5.322 1.00 15.29 H new ATOM 0 HB2 GLU D 61 21.407 6.523 -7.537 1.00 14.92 H new ATOM 0 HB3 GLU D 61 20.261 7.142 -6.364 1.00 14.92 H new ATOM 0 HG2 GLU D 61 21.388 9.460 -7.407 1.00 15.26 H new ATOM 0 HG3 GLU D 61 21.326 8.397 -8.799 1.00 15.26 H new ATOM 1733 N GLN D 62 23.387 5.531 -5.323 1.00 12.59 N ATOM 1734 CA GLN D 62 23.630 4.337 -4.520 1.00 11.34 C ATOM 1735 C GLN D 62 24.320 4.693 -3.208 1.00 10.26 C ATOM 1736 O GLN D 62 23.956 4.184 -2.148 1.00 9.68 O ATOM 1737 CB GLN D 62 24.483 3.340 -5.305 1.00 11.98 C ATOM 1738 CG GLN D 62 24.001 3.123 -6.728 1.00 14.05 C ATOM 1739 CD GLN D 62 23.532 1.704 -6.978 1.00 14.32 C ATOM 1740 OE1 GLN D 62 23.560 0.861 -6.080 1.00 14.12 O ATOM 1741 NE2 GLN D 62 23.095 1.433 -8.202 1.00 15.17 N ATOM 0 H GLN D 62 23.991 5.618 -6.140 1.00 12.59 H new ATOM 0 HA GLN D 62 22.667 3.881 -4.288 1.00 11.34 H new ATOM 0 HB2 GLN D 62 25.514 3.694 -5.328 1.00 11.98 H new ATOM 0 HB3 GLN D 62 24.486 2.384 -4.781 1.00 11.98 H new ATOM 0 HG2 GLN D 62 23.185 3.813 -6.940 1.00 14.05 H new ATOM 0 HG3 GLN D 62 24.808 3.362 -7.421 1.00 14.05 H new ATOM 0 HE21 GLN D 62 23.090 2.163 -8.915 1.00 15.17 H new ATOM 0 HE22 GLN D 62 22.765 0.495 -8.430 1.00 15.17 H new ATOM 1750 N SER D 63 25.320 5.567 -3.285 1.00 10.66 N ATOM 1751 CA SER D 63 26.058 5.986 -2.100 1.00 10.58 C ATOM 1752 C SER D 63 25.157 6.752 -1.138 1.00 8.43 C ATOM 1753 O SER D 63 24.983 6.355 0.014 1.00 7.71 O ATOM 1754 CB SER D 63 27.253 6.854 -2.496 1.00 12.80 C ATOM 1755 OG SER D 63 27.840 6.395 -3.701 1.00 13.06 O ATOM 0 H SER D 63 25.636 5.997 -4.154 1.00 10.66 H new ATOM 0 HA SER D 63 26.420 5.090 -1.595 1.00 10.58 H new ATOM 0 HB2 SER D 63 26.931 7.888 -2.616 1.00 12.80 H new ATOM 0 HB3 SER D 63 27.996 6.842 -1.698 1.00 12.80 H new ATOM 0 HG SER D 63 27.341 6.753 -4.465 1.00 13.06 H new ATOM 1761 N GLU D 64 24.583 7.850 -1.620 1.00 7.80 N ATOM 1762 CA GLU D 64 23.698 8.670 -0.806 1.00 5.92 C ATOM 1763 C GLU D 64 22.644 7.809 -0.115 1.00 4.09 C ATOM 1764 O GLU D 64 22.220 8.104 1.002 1.00 3.53 O ATOM 1765 CB GLU D 64 23.023 9.730 -1.674 1.00 5.44 C ATOM 1766 CG GLU D 64 22.220 9.153 -2.827 1.00 6.25 C ATOM 1767 CD GLU D 64 20.731 9.126 -2.544 1.00 5.54 C ATOM 1768 OE1 GLU D 64 20.326 9.580 -1.454 1.00 5.97 O ATOM 1769 OE2 GLU D 64 19.970 8.652 -3.414 1.00 5.14 O ATOM 0 H GLU D 64 24.716 8.191 -2.572 1.00 7.80 H new ATOM 0 HA GLU D 64 24.294 9.163 -0.038 1.00 5.92 H new ATOM 0 HB2 GLU D 64 22.364 10.333 -1.049 1.00 5.44 H new ATOM 0 HB3 GLU D 64 23.785 10.400 -2.073 1.00 5.44 H new ATOM 0 HG2 GLU D 64 22.405 9.743 -3.725 1.00 6.25 H new ATOM 0 HG3 GLU D 64 22.565 8.140 -3.034 1.00 6.25 H new ATOM 1776 N LEU D 65 22.228 6.742 -0.791 1.00 3.50 N ATOM 1777 CA LEU D 65 21.228 5.836 -0.245 1.00 2.93 C ATOM 1778 C LEU D 65 21.768 5.107 0.981 1.00 2.44 C ATOM 1779 O LEU D 65 21.077 4.975 1.991 1.00 3.25 O ATOM 1780 CB LEU D 65 20.796 4.821 -1.306 1.00 2.41 C ATOM 1781 CG LEU D 65 19.284 4.698 -1.508 1.00 4.42 C ATOM 1782 CD1 LEU D 65 18.920 4.941 -2.964 1.00 5.86 C ATOM 1783 CD2 LEU D 65 18.796 3.330 -1.056 1.00 4.26 C ATOM 0 H LEU D 65 22.569 6.485 -1.717 1.00 3.50 H new ATOM 0 HA LEU D 65 20.363 6.427 0.056 1.00 2.93 H new ATOM 0 HB2 LEU D 65 21.253 5.096 -2.257 1.00 2.41 H new ATOM 0 HB3 LEU D 65 21.191 3.843 -1.033 1.00 2.41 H new ATOM 0 HG LEU D 65 18.792 5.457 -0.900 1.00 4.42 H new ATOM 0 HD11 LEU D 65 17.841 4.850 -3.089 1.00 5.86 H new ATOM 0 HD12 LEU D 65 19.236 5.943 -3.256 1.00 5.86 H new ATOM 0 HD13 LEU D 65 19.422 4.205 -3.592 1.00 5.86 H new ATOM 0 HD21 LEU D 65 17.719 3.260 -1.207 1.00 4.26 H new ATOM 0 HD22 LEU D 65 19.295 2.555 -1.638 1.00 4.26 H new ATOM 0 HD23 LEU D 65 19.024 3.193 0.001 1.00 4.26 H new ATOM 1795 N VAL D 66 23.006 4.632 0.883 1.00 1.51 N ATOM 1796 CA VAL D 66 23.637 3.912 1.982 1.00 1.65 C ATOM 1797 C VAL D 66 23.797 4.801 3.211 1.00 3.17 C ATOM 1798 O VAL D 66 23.686 4.335 4.345 1.00 3.91 O ATOM 1799 CB VAL D 66 25.019 3.366 1.577 1.00 4.35 C ATOM 1800 CG1 VAL D 66 25.476 2.292 2.552 1.00 5.08 C ATOM 1801 CG2 VAL D 66 24.983 2.826 0.155 1.00 5.85 C ATOM 0 H VAL D 66 23.591 4.733 0.054 1.00 1.51 H new ATOM 0 HA VAL D 66 22.979 3.078 2.226 1.00 1.65 H new ATOM 0 HB VAL D 66 25.738 4.185 1.612 1.00 4.35 H new ATOM 0 HG11 VAL D 66 26.454 1.918 2.249 1.00 5.08 H new ATOM 0 HG12 VAL D 66 25.543 2.715 3.554 1.00 5.08 H new ATOM 0 HG13 VAL D 66 24.758 1.472 2.552 1.00 5.08 H new ATOM 0 HG21 VAL D 66 25.968 2.444 -0.114 1.00 5.85 H new ATOM 0 HG22 VAL D 66 24.252 2.021 0.090 1.00 5.85 H new ATOM 0 HG23 VAL D 66 24.704 3.626 -0.531 1.00 5.85 H new ATOM 1811 N LYS D 67 24.062 6.081 2.979 1.00 4.62 N ATOM 1812 CA LYS D 67 24.240 7.032 4.070 1.00 6.91 C ATOM 1813 C LYS D 67 22.980 7.128 4.924 1.00 8.38 C ATOM 1814 O LYS D 67 23.030 6.957 6.142 1.00 9.25 O ATOM 1815 CB LYS D 67 24.604 8.413 3.520 1.00 8.95 C ATOM 1816 CG LYS D 67 24.644 9.502 4.580 1.00 9.24 C ATOM 1817 CD LYS D 67 23.768 10.683 4.199 1.00 11.61 C ATOM 1818 CE LYS D 67 23.627 11.668 5.348 1.00 12.87 C ATOM 1819 NZ LYS D 67 22.201 11.950 5.667 1.00 14.14 N ATOM 0 H LYS D 67 24.158 6.484 2.047 1.00 4.62 H new ATOM 0 HA LYS D 67 25.055 6.673 4.698 1.00 6.91 H new ATOM 0 HB2 LYS D 67 25.578 8.356 3.034 1.00 8.95 H new ATOM 0 HB3 LYS D 67 23.881 8.691 2.753 1.00 8.95 H new ATOM 0 HG2 LYS D 67 24.312 9.094 5.535 1.00 9.24 H new ATOM 0 HG3 LYS D 67 25.671 9.839 4.718 1.00 9.24 H new ATOM 0 HD2 LYS D 67 24.196 11.190 3.334 1.00 11.61 H new ATOM 0 HD3 LYS D 67 22.782 10.325 3.903 1.00 11.61 H new ATOM 0 HE2 LYS D 67 24.124 11.268 6.232 1.00 12.87 H new ATOM 0 HE3 LYS D 67 24.132 12.599 5.092 1.00 12.87 H new ATOM 0 HZ1 LYS D 67 22.149 12.626 6.456 1.00 14.14 H new ATOM 0 HZ2 LYS D 67 21.732 12.355 4.832 1.00 14.14 H new ATOM 0 HZ3 LYS D 67 21.724 11.066 5.937 1.00 14.14 H new ATOM 1833 N LYS D 68 21.852 7.406 4.281 1.00 9.18 N ATOM 1834 CA LYS D 68 20.582 7.526 4.988 1.00 11.10 C ATOM 1835 C LYS D 68 20.297 6.277 5.816 1.00 11.19 C ATOM 1836 O LYS D 68 19.734 6.358 6.906 1.00 12.28 O ATOM 1837 CB LYS D 68 19.442 7.768 3.999 1.00 11.08 C ATOM 1838 CG LYS D 68 18.464 8.840 4.453 1.00 13.60 C ATOM 1839 CD LYS D 68 17.459 9.174 3.363 1.00 15.31 C ATOM 1840 CE LYS D 68 16.753 10.491 3.641 1.00 17.20 C ATOM 1841 NZ LYS D 68 15.459 10.593 2.910 1.00 19.01 N ATOM 0 H LYS D 68 21.790 7.552 3.273 1.00 9.18 H new ATOM 0 HA LYS D 68 20.653 8.378 5.664 1.00 11.10 H new ATOM 0 HB2 LYS D 68 19.862 8.055 3.035 1.00 11.08 H new ATOM 0 HB3 LYS D 68 18.900 6.835 3.845 1.00 11.08 H new ATOM 0 HG2 LYS D 68 17.936 8.499 5.344 1.00 13.60 H new ATOM 0 HG3 LYS D 68 19.012 9.740 4.732 1.00 13.60 H new ATOM 0 HD2 LYS D 68 17.969 9.229 2.401 1.00 15.31 H new ATOM 0 HD3 LYS D 68 16.723 8.374 3.288 1.00 15.31 H new ATOM 0 HE2 LYS D 68 16.574 10.588 4.712 1.00 17.20 H new ATOM 0 HE3 LYS D 68 17.400 11.318 3.350 1.00 17.20 H new ATOM 0 HZ1 LYS D 68 15.009 11.505 3.126 1.00 19.01 H new ATOM 0 HZ2 LYS D 68 15.632 10.526 1.887 1.00 19.01 H new ATOM 0 HZ3 LYS D 68 14.831 9.819 3.206 1.00 19.01 H new ATOM 1855 N MET D 69 20.691 5.121 5.289 1.00 10.64 N ATOM 1856 CA MET D 69 20.476 3.858 5.984 1.00 11.52 C ATOM 1857 C MET D 69 21.348 3.769 7.231 1.00 12.80 C ATOM 1858 O MET D 69 20.862 3.472 8.323 1.00 13.42 O ATOM 1859 CB MET D 69 20.776 2.682 5.052 1.00 9.85 C ATOM 1860 CG MET D 69 20.495 1.325 5.676 1.00 10.70 C ATOM 1861 SD MET D 69 21.116 -0.042 4.677 1.00 10.79 S ATOM 1862 CE MET D 69 22.857 0.369 4.587 1.00 9.28 C ATOM 0 H MET D 69 21.159 5.034 4.387 1.00 10.64 H new ATOM 0 HA MET D 69 19.431 3.813 6.290 1.00 11.52 H new ATOM 0 HB2 MET D 69 20.180 2.786 4.145 1.00 9.85 H new ATOM 0 HB3 MET D 69 21.823 2.725 4.752 1.00 9.85 H new ATOM 0 HG2 MET D 69 20.951 1.283 6.665 1.00 10.70 H new ATOM 0 HG3 MET D 69 19.420 1.209 5.815 1.00 10.70 H new ATOM 0 HE1 MET D 69 23.451 -0.540 4.681 1.00 9.28 H new ATOM 0 HE2 MET D 69 23.070 0.844 3.629 1.00 9.28 H new ATOM 0 HE3 MET D 69 23.111 1.054 5.396 1.00 9.28 H new ATOM 1872 N VAL D 70 22.641 4.026 7.062 1.00 13.31 N ATOM 1873 CA VAL D 70 23.580 3.973 8.175 1.00 14.61 C ATOM 1874 C VAL D 70 23.435 5.188 9.086 1.00 15.68 C ATOM 1875 O VAL D 70 23.845 5.156 10.246 1.00 15.47 O ATOM 1876 CB VAL D 70 25.035 3.882 7.677 1.00 13.54 C ATOM 1877 CG1 VAL D 70 26.002 3.818 8.850 1.00 14.14 C ATOM 1878 CG2 VAL D 70 25.209 2.676 6.765 1.00 11.50 C ATOM 0 H VAL D 70 23.061 4.273 6.166 1.00 13.31 H new ATOM 0 HA VAL D 70 23.342 3.074 8.744 1.00 14.61 H new ATOM 0 HB VAL D 70 25.261 4.781 7.103 1.00 13.54 H new ATOM 0 HG11 VAL D 70 27.024 3.754 8.476 1.00 14.14 H new ATOM 0 HG12 VAL D 70 25.894 4.715 9.460 1.00 14.14 H new ATOM 0 HG13 VAL D 70 25.782 2.939 9.456 1.00 14.14 H new ATOM 0 HG21 VAL D 70 26.242 2.626 6.422 1.00 11.50 H new ATOM 0 HG22 VAL D 70 24.964 1.767 7.314 1.00 11.50 H new ATOM 0 HG23 VAL D 70 24.545 2.771 5.906 1.00 11.50 H new ATOM 1888 N PHE D 71 22.845 6.257 8.559 1.00 17.10 N ATOM 1889 CA PHE D 71 22.646 7.475 9.333 1.00 18.60 C ATOM 1890 C PHE D 71 21.663 7.233 10.473 1.00 19.96 C ATOM 1891 O PHE D 71 21.890 7.661 11.605 1.00 20.02 O ATOM 1892 CB PHE D 71 22.136 8.603 8.435 1.00 20.47 C ATOM 1893 CG PHE D 71 21.996 9.918 9.148 1.00 21.86 C ATOM 1894 CD1 PHE D 71 23.046 10.422 9.928 1.00 22.26 C ATOM 1895 CD2 PHE D 71 20.811 10.662 9.046 1.00 23.01 C ATOM 1896 CE1 PHE D 71 22.918 11.645 10.594 1.00 23.91 C ATOM 1897 CE2 PHE D 71 20.678 11.886 9.708 1.00 24.50 C ATOM 1898 CZ PHE D 71 21.733 12.377 10.483 1.00 25.02 C ATOM 0 H PHE D 71 22.498 6.303 7.601 1.00 17.10 H new ATOM 0 HA PHE D 71 23.607 7.769 9.756 1.00 18.60 H new ATOM 0 HB2 PHE D 71 22.819 8.725 7.595 1.00 20.47 H new ATOM 0 HB3 PHE D 71 21.169 8.318 8.021 1.00 20.47 H new ATOM 0 HD1 PHE D 71 23.964 9.860 10.016 1.00 22.26 H new ATOM 0 HD2 PHE D 71 19.993 10.285 8.450 1.00 23.01 H new ATOM 0 HE1 PHE D 71 23.733 12.023 11.193 1.00 23.91 H new ATOM 0 HE2 PHE D 71 19.762 12.451 9.621 1.00 24.50 H new ATOM 0 HZ PHE D 71 21.632 13.322 10.996 1.00 25.02 H new ATOM 1908 N ASP D 72 20.573 6.539 10.167 1.00 21.27 N ATOM 1909 CA ASP D 72 19.556 6.233 11.167 1.00 23.05 C ATOM 1910 C ASP D 72 20.092 5.246 12.198 1.00 22.20 C ATOM 1911 O ASP D 72 19.874 5.406 13.398 1.00 22.53 O ATOM 1912 CB ASP D 72 18.306 5.658 10.496 1.00 24.91 C ATOM 1913 CG ASP D 72 17.026 6.121 11.164 1.00 27.25 C ATOM 1914 OD1 ASP D 72 17.079 6.490 12.357 1.00 29.17 O ATOM 1915 OD2 ASP D 72 15.971 6.114 10.496 1.00 27.25 O ATOM 0 H ASP D 72 20.370 6.178 9.235 1.00 21.27 H new ATOM 0 HA ASP D 72 19.292 7.159 11.677 1.00 23.05 H new ATOM 0 HB2 ASP D 72 18.292 5.953 9.447 1.00 24.91 H new ATOM 0 HB3 ASP D 72 18.352 4.569 10.521 1.00 24.91 H new ATOM 1920 N THR D 73 20.794 4.223 11.719 1.00 21.37 N ATOM 1921 CA THR D 73 21.362 3.208 12.600 1.00 20.88 C ATOM 1922 C THR D 73 22.261 3.843 13.657 1.00 21.06 C ATOM 1923 O THR D 73 22.058 3.648 14.855 1.00 22.58 O ATOM 1924 CB THR D 73 22.157 2.185 11.787 1.00 18.29 C ATOM 1925 OG1 THR D 73 21.305 1.472 10.908 1.00 18.23 O ATOM 1926 CG2 THR D 73 22.883 1.172 12.646 1.00 17.24 C ATOM 0 H THR D 73 20.983 4.075 10.728 1.00 21.37 H new ATOM 0 HA THR D 73 20.540 2.702 13.106 1.00 20.88 H new ATOM 0 HB THR D 73 22.896 2.766 11.235 1.00 18.29 H new ATOM 0 HG1 THR D 73 21.129 2.015 10.111 1.00 18.23 H new ATOM 0 HG21 THR D 73 23.427 0.476 12.007 1.00 17.24 H new ATOM 0 HG22 THR D 73 23.585 1.687 13.301 1.00 17.24 H new ATOM 0 HG23 THR D 73 22.161 0.622 13.249 1.00 17.24 H new ATOM 1934 N LEU D 74 23.254 4.601 13.204 1.00 19.60 N ATOM 1935 CA LEU D 74 24.185 5.262 14.113 1.00 19.62 C ATOM 1936 C LEU D 74 23.437 6.028 15.200 1.00 21.07 C ATOM 1937 O LEU D 74 23.828 6.010 16.366 1.00 21.24 O ATOM 1938 CB LEU D 74 25.098 6.215 13.337 1.00 17.51 C ATOM 1939 CG LEU D 74 26.109 5.531 12.415 1.00 14.94 C ATOM 1940 CD1 LEU D 74 26.566 6.485 11.323 1.00 14.75 C ATOM 1941 CD2 LEU D 74 27.300 5.023 13.215 1.00 12.96 C ATOM 0 H LEU D 74 23.435 4.773 12.215 1.00 19.60 H new ATOM 0 HA LEU D 74 24.793 4.494 14.590 1.00 19.62 H new ATOM 0 HB2 LEU D 74 24.478 6.883 12.740 1.00 17.51 H new ATOM 0 HB3 LEU D 74 25.641 6.836 14.050 1.00 17.51 H new ATOM 0 HG LEU D 74 25.623 4.678 11.943 1.00 14.94 H new ATOM 0 HD11 LEU D 74 27.285 5.981 10.677 1.00 14.75 H new ATOM 0 HD12 LEU D 74 25.706 6.801 10.732 1.00 14.75 H new ATOM 0 HD13 LEU D 74 27.035 7.358 11.776 1.00 14.75 H new ATOM 0 HD21 LEU D 74 28.009 4.539 12.544 1.00 12.96 H new ATOM 0 HD22 LEU D 74 27.787 5.861 13.715 1.00 12.96 H new ATOM 0 HD23 LEU D 74 26.958 4.305 13.960 1.00 12.96 H new ATOM 1953 N LYS D 75 22.355 6.698 14.811 1.00 22.23 N ATOM 1954 CA LYS D 75 21.554 7.463 15.759 1.00 23.90 C ATOM 1955 C LYS D 75 21.175 6.602 16.957 1.00 25.74 C ATOM 1956 O LYS D 75 21.305 7.025 18.107 1.00 26.88 O ATOM 1957 CB LYS D 75 20.292 8.000 15.080 1.00 23.68 C ATOM 1958 CG LYS D 75 20.080 9.491 15.278 1.00 24.22 C ATOM 1959 CD LYS D 75 19.395 10.121 14.075 1.00 23.30 C ATOM 1960 CE LYS D 75 18.052 10.725 14.451 1.00 24.66 C ATOM 1961 NZ LYS D 75 17.023 9.679 14.708 1.00 23.61 N ATOM 0 H LYS D 75 22.015 6.726 13.850 1.00 22.23 H new ATOM 0 HA LYS D 75 22.151 8.305 16.109 1.00 23.90 H new ATOM 0 HB2 LYS D 75 20.346 7.788 14.012 1.00 23.68 H new ATOM 0 HB3 LYS D 75 19.426 7.464 15.467 1.00 23.68 H new ATOM 0 HG2 LYS D 75 19.477 9.659 16.170 1.00 24.22 H new ATOM 0 HG3 LYS D 75 21.041 9.977 15.447 1.00 24.22 H new ATOM 0 HD2 LYS D 75 20.037 10.894 13.653 1.00 23.30 H new ATOM 0 HD3 LYS D 75 19.252 9.367 13.301 1.00 23.30 H new ATOM 0 HE2 LYS D 75 18.169 11.345 15.340 1.00 24.66 H new ATOM 0 HE3 LYS D 75 17.711 11.380 13.649 1.00 24.66 H new ATOM 0 HZ1 LYS D 75 16.122 10.133 14.961 1.00 23.61 H new ATOM 0 HZ2 LYS D 75 16.892 9.103 13.852 1.00 23.61 H new ATOM 0 HZ3 LYS D 75 17.335 9.070 15.491 1.00 23.61 H new ATOM 1975 N ASP D 76 20.712 5.391 16.679 1.00 26.15 N ATOM 1976 CA ASP D 76 20.320 4.461 17.728 1.00 27.97 C ATOM 1977 C ASP D 76 21.547 3.923 18.453 1.00 28.61 C ATOM 1978 O ASP D 76 21.501 3.636 19.649 1.00 30.36 O ATOM 1979 CB ASP D 76 19.509 3.304 17.141 1.00 27.87 C ATOM 1980 CG ASP D 76 18.207 3.077 17.881 1.00 29.59 C ATOM 1981 OD1 ASP D 76 18.251 2.870 19.112 1.00 31.43 O ATOM 1982 OD2 ASP D 76 17.141 3.103 17.230 1.00 29.25 O ATOM 0 H ASP D 76 20.599 5.029 15.732 1.00 26.15 H new ATOM 0 HA ASP D 76 19.699 4.998 18.445 1.00 27.97 H new ATOM 0 HB2 ASP D 76 19.296 3.509 16.092 1.00 27.87 H new ATOM 0 HB3 ASP D 76 20.106 2.392 17.173 1.00 27.87 H new ATOM 1987 N LEU D 77 22.647 3.792 17.718 1.00 27.23 N ATOM 1988 CA LEU D 77 23.893 3.293 18.283 1.00 27.75 C ATOM 1989 C LEU D 77 24.388 4.213 19.393 1.00 29.15 C ATOM 1990 O LEU D 77 24.654 3.770 20.510 1.00 30.81 O ATOM 1991 CB LEU D 77 24.955 3.173 17.189 1.00 25.85 C ATOM 1992 CG LEU D 77 24.892 1.887 16.362 1.00 24.33 C ATOM 1993 CD1 LEU D 77 25.809 1.984 15.154 1.00 21.64 C ATOM 1994 CD2 LEU D 77 25.259 0.685 17.219 1.00 25.22 C ATOM 0 H LEU D 77 22.699 4.026 16.727 1.00 27.23 H new ATOM 0 HA LEU D 77 23.707 2.307 18.709 1.00 27.75 H new ATOM 0 HB2 LEU D 77 24.859 4.025 16.516 1.00 25.85 H new ATOM 0 HB3 LEU D 77 25.940 3.242 17.651 1.00 25.85 H new ATOM 0 HG LEU D 77 23.870 1.755 16.006 1.00 24.33 H new ATOM 0 HD11 LEU D 77 25.751 1.060 14.578 1.00 21.64 H new ATOM 0 HD12 LEU D 77 25.500 2.822 14.529 1.00 21.64 H new ATOM 0 HD13 LEU D 77 26.835 2.140 15.488 1.00 21.64 H new ATOM 0 HD21 LEU D 77 25.209 -0.221 16.615 1.00 25.22 H new ATOM 0 HD22 LEU D 77 26.271 0.809 17.605 1.00 25.22 H new ATOM 0 HD23 LEU D 77 24.560 0.605 18.052 1.00 25.22 H new ATOM 2006 N TYR D 78 24.506 5.498 19.077 1.00 28.64 N ATOM 2007 CA TYR D 78 24.966 6.485 20.045 1.00 30.07 C ATOM 2008 C TYR D 78 23.879 6.782 21.073 1.00 32.06 C ATOM 2009 O TYR D 78 24.164 6.996 22.251 1.00 32.07 O ATOM 2010 CB TYR D 78 25.373 7.775 19.330 1.00 31.09 C ATOM 2011 CG TYR D 78 26.768 7.732 18.750 1.00 30.10 C ATOM 2012 CD1 TYR D 78 27.874 7.393 19.549 1.00 30.34 C ATOM 2013 CD2 TYR D 78 26.993 8.031 17.395 1.00 29.17 C ATOM 2014 CE1 TYR D 78 29.166 7.355 19.015 1.00 29.60 C ATOM 2015 CE2 TYR D 78 28.281 7.995 16.853 1.00 28.45 C ATOM 2016 CZ TYR D 78 29.362 7.656 17.667 1.00 28.63 C ATOM 2017 OH TYR D 78 30.631 7.619 17.136 1.00 28.12 O ATOM 0 H TYR D 78 24.289 5.880 18.157 1.00 28.64 H new ATOM 0 HA TYR D 78 25.832 6.076 20.565 1.00 30.07 H new ATOM 0 HB2 TYR D 78 24.662 7.976 18.529 1.00 31.09 H new ATOM 0 HB3 TYR D 78 25.306 8.606 20.032 1.00 31.09 H new ATOM 0 HD1 TYR D 78 27.723 7.158 20.592 1.00 30.34 H new ATOM 0 HD2 TYR D 78 26.157 8.293 16.763 1.00 29.17 H new ATOM 0 HE1 TYR D 78 30.006 7.094 19.642 1.00 29.60 H new ATOM 0 HE2 TYR D 78 28.438 8.228 15.810 1.00 28.45 H new ATOM 0 HH TYR D 78 30.595 7.853 16.185 1.00 28.12 H new ATOM 2027 N LYS D 79 22.630 6.793 20.616 1.00 33.80 N ATOM 2028 CA LYS D 79 21.497 7.063 21.490 1.00 35.91 C ATOM 2029 C LYS D 79 21.350 5.973 22.548 1.00 36.41 C ATOM 2030 O LYS D 79 20.772 6.200 23.612 1.00 36.59 O ATOM 2031 CB LYS D 79 20.210 7.176 20.671 1.00 35.84 C ATOM 2032 CG LYS D 79 18.979 7.490 21.505 1.00 38.02 C ATOM 2033 CD LYS D 79 18.470 8.897 21.240 1.00 39.39 C ATOM 2034 CE LYS D 79 17.682 8.970 19.941 1.00 38.63 C ATOM 2035 NZ LYS D 79 18.575 9.032 18.752 1.00 38.05 N ATOM 0 H LYS D 79 22.379 6.617 19.643 1.00 33.80 H new ATOM 0 HA LYS D 79 21.680 8.010 21.997 1.00 35.91 H new ATOM 0 HB2 LYS D 79 20.336 7.955 19.919 1.00 35.84 H new ATOM 0 HB3 LYS D 79 20.047 6.240 20.137 1.00 35.84 H new ATOM 0 HG2 LYS D 79 18.193 6.769 21.280 1.00 38.02 H new ATOM 0 HG3 LYS D 79 19.218 7.382 22.563 1.00 38.02 H new ATOM 0 HD2 LYS D 79 17.839 9.218 22.068 1.00 39.39 H new ATOM 0 HD3 LYS D 79 19.312 9.587 21.195 1.00 39.39 H new ATOM 0 HE2 LYS D 79 17.032 8.099 19.862 1.00 38.63 H new ATOM 0 HE3 LYS D 79 17.037 9.849 19.957 1.00 38.63 H new ATOM 0 HZ1 LYS D 79 18.099 9.551 17.987 1.00 38.05 H new ATOM 0 HZ2 LYS D 79 19.457 9.521 19.005 1.00 38.05 H new ATOM 0 HZ3 LYS D 79 18.794 8.067 18.432 1.00 38.05 H new