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 69 MET CE :methyl 150:sc= -1.49 (180deg=-2.44!) USER MOD Set 1.2: C 73 THR OG1 : rot 88:sc= -0.36 USER MOD Set 2.1: A 73 THR OG1 : rot 89:sc= -0.255 USER MOD Set 2.2: C 69 MET CE :methyl 151:sc= -1.22 (180deg=-2.29) USER MOD Set 3.1: B 73 THR OG1 : rot 81:sc= 0.00316 USER MOD Set 3.2: D 62 GLN : amide:sc= -1.79 K(o=-1.8,f=-4!) USER MOD Set 4.1: B 62 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.9!) USER MOD Set 4.2: D 73 THR OG1 : rot 84:sc= 0.00259 USER MOD Single : A 62 GLN : amide:sc= -2.81! C(o=-2.8!,f=-10!) USER MOD Single : A 63 SER OG : rot -79:sc=-0.00145 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+ 149:sc= -0.192 (180deg=-0.895) USER MOD Single : A 78 TYR OH : rot -109:sc= -7.12! 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 87:sc= -0.797 USER MOD Single : B 63 SER OG : rot -85:sc= -0.734 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 69 MET CE :methyl 144:sc= -3.03! (180deg=-6.02!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 150:sc= -1.93 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -2.78! C(o=-2.8!,f=-10!) USER MOD Single : C 63 SER OG : rot -82:sc= 0.0189 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+ 154:sc= -0.224 (180deg=-0.917) USER MOD Single : C 78 TYR OH : rot -109:sc= -6.88! 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 82:sc= -0.718 USER MOD Single : D 63 SER OG : rot -86:sc= -0.665 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 69 MET CE :methyl 142:sc= -3.07! (180deg=-6.12!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 150:sc= -2.52 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.661 -12.483 -17.023 1.00 34.94 N ATOM 54 CA ALA A 55 24.483 -11.118 -16.547 1.00 33.88 C ATOM 55 C ALA A 55 23.797 -11.112 -15.187 1.00 31.28 C ATOM 56 O ALA A 55 24.176 -10.355 -14.293 1.00 30.36 O ATOM 57 CB ALA A 55 23.681 -10.306 -17.552 1.00 34.48 C ATOM 0 HA ALA A 55 25.466 -10.659 -16.438 1.00 33.88 H new ATOM 0 HB1 ALA A 55 23.557 -9.288 -17.181 1.00 34.48 H new ATOM 0 HB2 ALA A 55 24.209 -10.283 -18.505 1.00 34.48 H new ATOM 0 HB3 ALA A 55 22.702 -10.764 -17.691 1.00 34.48 H new ATOM 63 N GLU A 56 22.792 -11.969 -15.035 1.00 30.15 N ATOM 64 CA GLU A 56 22.061 -12.069 -13.779 1.00 27.71 C ATOM 65 C GLU A 56 22.968 -12.607 -12.680 1.00 27.41 C ATOM 66 O GLU A 56 23.068 -12.026 -11.599 1.00 27.30 O ATOM 67 CB GLU A 56 20.838 -12.975 -13.941 1.00 26.82 C ATOM 68 CG GLU A 56 20.027 -13.138 -12.667 1.00 25.84 C ATOM 69 CD GLU A 56 18.611 -13.607 -12.932 1.00 24.13 C ATOM 70 OE1 GLU A 56 18.349 -14.105 -14.046 1.00 23.84 O ATOM 71 OE2 GLU A 56 17.762 -13.476 -12.024 1.00 23.23 O ATOM 0 H GLU A 56 22.467 -12.603 -15.765 1.00 30.15 H new ATOM 0 HA GLU A 56 21.722 -11.072 -13.499 1.00 27.71 H new ATOM 0 HB2 GLU A 56 20.195 -12.567 -14.721 1.00 26.82 H new ATOM 0 HB3 GLU A 56 21.167 -13.957 -14.280 1.00 26.82 H new ATOM 0 HG2 GLU A 56 20.526 -13.853 -12.013 1.00 25.84 H new ATOM 0 HG3 GLU A 56 19.997 -12.187 -12.136 1.00 25.84 H new ATOM 78 N ARG A 57 23.640 -13.715 -12.973 1.00 27.50 N ATOM 79 CA ARG A 57 24.555 -14.328 -12.019 1.00 27.56 C ATOM 80 C ARG A 57 25.684 -13.364 -11.684 1.00 26.04 C ATOM 81 O ARG A 57 26.018 -13.156 -10.517 1.00 25.47 O ATOM 82 CB ARG A 57 25.128 -15.627 -12.586 1.00 29.40 C ATOM 83 CG ARG A 57 24.530 -16.881 -11.969 1.00 30.35 C ATOM 84 CD ARG A 57 25.302 -18.127 -12.372 1.00 32.47 C ATOM 85 NE ARG A 57 25.769 -18.061 -13.757 1.00 34.51 N ATOM 86 CZ ARG A 57 26.943 -17.550 -14.126 1.00 35.17 C ATOM 87 NH1 ARG A 57 27.780 -17.054 -13.222 1.00 33.88 N ATOM 88 NH2 ARG A 57 27.281 -17.531 -15.409 1.00 37.19 N ATOM 0 H ARG A 57 23.568 -14.207 -13.864 1.00 27.50 H new ATOM 0 HA ARG A 57 24.002 -14.559 -11.108 1.00 27.56 H new ATOM 0 HB2 ARG A 57 24.961 -15.648 -13.663 1.00 29.40 H new ATOM 0 HB3 ARG A 57 26.207 -15.636 -12.431 1.00 29.40 H new ATOM 0 HG2 ARG A 57 24.530 -16.788 -10.883 1.00 30.35 H new ATOM 0 HG3 ARG A 57 23.490 -16.980 -12.281 1.00 30.35 H new ATOM 0 HD2 ARG A 57 26.157 -18.254 -11.707 1.00 32.47 H new ATOM 0 HD3 ARG A 57 24.666 -19.003 -12.246 1.00 32.47 H new ATOM 0 HE ARG A 57 25.158 -18.429 -14.486 1.00 34.51 H new ATOM 0 HH11 ARG A 57 27.527 -17.062 -12.234 1.00 33.88 H new ATOM 0 HH12 ARG A 57 28.676 -16.665 -13.516 1.00 33.88 H new ATOM 0 HH21 ARG A 57 26.643 -17.907 -16.110 1.00 37.19 H new ATOM 0 HH22 ARG A 57 28.179 -17.140 -15.694 1.00 37.19 H new ATOM 102 N LEU A 58 26.264 -12.773 -12.723 1.00 25.64 N ATOM 103 CA LEU A 58 27.352 -11.820 -12.553 1.00 24.34 C ATOM 104 C LEU A 58 26.967 -10.736 -11.555 1.00 22.44 C ATOM 105 O LEU A 58 27.697 -10.465 -10.602 1.00 22.88 O ATOM 106 CB LEU A 58 27.715 -11.179 -13.896 1.00 24.03 C ATOM 107 CG LEU A 58 28.909 -11.809 -14.615 1.00 26.09 C ATOM 108 CD1 LEU A 58 29.066 -11.218 -16.006 1.00 25.99 C ATOM 109 CD2 LEU A 58 30.180 -11.610 -13.806 1.00 26.33 C ATOM 0 H LEU A 58 25.997 -12.938 -13.694 1.00 25.64 H new ATOM 0 HA LEU A 58 28.218 -12.360 -12.169 1.00 24.34 H new ATOM 0 HB2 LEU A 58 26.846 -11.232 -14.552 1.00 24.03 H new ATOM 0 HB3 LEU A 58 27.926 -10.122 -13.731 1.00 24.03 H new ATOM 0 HG LEU A 58 28.726 -12.879 -14.715 1.00 26.09 H new ATOM 0 HD11 LEU A 58 29.920 -11.678 -16.502 1.00 25.99 H new ATOM 0 HD12 LEU A 58 28.163 -11.409 -16.586 1.00 25.99 H new ATOM 0 HD13 LEU A 58 29.227 -10.143 -15.928 1.00 25.99 H new ATOM 0 HD21 LEU A 58 31.020 -12.064 -14.331 1.00 26.33 H new ATOM 0 HD22 LEU A 58 30.366 -10.544 -13.677 1.00 26.33 H new ATOM 0 HD23 LEU A 58 30.067 -12.079 -12.829 1.00 26.33 H new ATOM 121 N ALA A 59 25.809 -10.120 -11.779 1.00 20.37 N ATOM 122 CA ALA A 59 25.320 -9.067 -10.898 1.00 18.53 C ATOM 123 C ALA A 59 25.366 -9.512 -9.442 1.00 19.05 C ATOM 124 O ALA A 59 25.704 -8.733 -8.553 1.00 19.74 O ATOM 125 CB ALA A 59 23.905 -8.666 -11.287 1.00 17.27 C ATOM 0 H ALA A 59 25.193 -10.333 -12.564 1.00 20.37 H new ATOM 0 HA ALA A 59 25.971 -8.200 -11.008 1.00 18.53 H new ATOM 0 HB1 ALA A 59 23.554 -7.879 -10.620 1.00 17.27 H new ATOM 0 HB2 ALA A 59 23.900 -8.301 -12.314 1.00 17.27 H new ATOM 0 HB3 ALA A 59 23.247 -9.531 -11.206 1.00 17.27 H new ATOM 131 N ASP A 60 25.029 -10.777 -9.209 1.00 18.79 N ATOM 132 CA ASP A 60 25.038 -11.332 -7.862 1.00 19.20 C ATOM 133 C ASP A 60 26.466 -11.467 -7.349 1.00 19.92 C ATOM 134 O ASP A 60 26.712 -11.423 -6.143 1.00 19.90 O ATOM 135 CB ASP A 60 24.343 -12.695 -7.841 1.00 18.93 C ATOM 136 CG ASP A 60 24.358 -13.331 -6.465 1.00 18.69 C ATOM 137 OD1 ASP A 60 25.353 -14.010 -6.135 1.00 18.73 O ATOM 138 OD2 ASP A 60 23.375 -13.149 -5.717 1.00 18.70 O ATOM 0 H ASP A 60 24.747 -11.435 -9.935 1.00 18.79 H new ATOM 0 HA ASP A 60 24.495 -10.650 -7.208 1.00 19.20 H new ATOM 0 HB2 ASP A 60 23.311 -12.579 -8.173 1.00 18.93 H new ATOM 0 HB3 ASP A 60 24.833 -13.361 -8.551 1.00 18.93 H new ATOM 143 N GLU A 61 27.407 -11.627 -8.275 1.00 20.58 N ATOM 144 CA GLU A 61 28.815 -11.765 -7.922 1.00 21.31 C ATOM 145 C GLU A 61 29.415 -10.410 -7.572 1.00 21.49 C ATOM 146 O GLU A 61 30.047 -10.248 -6.527 1.00 22.11 O ATOM 147 CB GLU A 61 29.594 -12.398 -9.077 1.00 21.34 C ATOM 148 CG GLU A 61 30.710 -13.325 -8.623 1.00 21.34 C ATOM 149 CD GLU A 61 31.355 -14.068 -9.776 1.00 21.40 C ATOM 150 OE1 GLU A 61 30.913 -13.876 -10.928 1.00 20.72 O ATOM 151 OE2 GLU A 61 32.302 -14.844 -9.526 1.00 22.14 O ATOM 0 H GLU A 61 27.219 -11.664 -9.277 1.00 20.58 H new ATOM 0 HA GLU A 61 28.886 -12.414 -7.049 1.00 21.31 H new ATOM 0 HB2 GLU A 61 28.902 -12.957 -9.707 1.00 21.34 H new ATOM 0 HB3 GLU A 61 30.019 -11.607 -9.694 1.00 21.34 H new ATOM 0 HG2 GLU A 61 31.469 -12.744 -8.099 1.00 21.34 H new ATOM 0 HG3 GLU A 61 30.311 -14.045 -7.909 1.00 21.34 H new ATOM 158 N GLN A 62 29.207 -9.438 -8.451 1.00 20.95 N ATOM 159 CA GLN A 62 29.721 -8.091 -8.236 1.00 21.06 C ATOM 160 C GLN A 62 29.143 -7.496 -6.958 1.00 19.28 C ATOM 161 O GLN A 62 29.858 -6.876 -6.171 1.00 20.00 O ATOM 162 CB GLN A 62 29.384 -7.194 -9.431 1.00 20.83 C ATOM 163 CG GLN A 62 29.568 -7.872 -10.780 1.00 23.45 C ATOM 164 CD GLN A 62 30.897 -8.595 -10.899 1.00 24.45 C ATOM 165 OE1 GLN A 62 31.304 -9.325 -9.994 1.00 25.03 O ATOM 166 NE2 GLN A 62 31.578 -8.396 -12.020 1.00 24.81 N ATOM 0 H GLN A 62 28.686 -9.557 -9.320 1.00 20.95 H new ATOM 0 HA GLN A 62 30.805 -8.150 -8.135 1.00 21.06 H new ATOM 0 HB2 GLN A 62 28.351 -6.859 -9.341 1.00 20.83 H new ATOM 0 HB3 GLN A 62 30.012 -6.304 -9.394 1.00 20.83 H new ATOM 0 HG2 GLN A 62 28.757 -8.583 -10.937 1.00 23.45 H new ATOM 0 HG3 GLN A 62 29.494 -7.125 -11.570 1.00 23.45 H new ATOM 0 HE21 GLN A 62 31.202 -7.783 -12.743 1.00 24.81 H new ATOM 0 HE22 GLN A 62 32.478 -8.856 -12.159 1.00 24.81 H new ATOM 175 N SER A 63 27.844 -7.695 -6.755 1.00 17.13 N ATOM 176 CA SER A 63 27.171 -7.185 -5.568 1.00 15.53 C ATOM 177 C SER A 63 27.778 -7.786 -4.306 1.00 15.51 C ATOM 178 O SER A 63 27.912 -7.110 -3.286 1.00 13.80 O ATOM 179 CB SER A 63 25.675 -7.497 -5.629 1.00 15.99 C ATOM 180 OG SER A 63 25.449 -8.890 -5.766 1.00 17.85 O ATOM 0 H SER A 63 27.238 -8.206 -7.397 1.00 17.13 H new ATOM 0 HA SER A 63 27.305 -6.104 -5.538 1.00 15.53 H new ATOM 0 HB2 SER A 63 25.187 -7.134 -4.724 1.00 15.99 H new ATOM 0 HB3 SER A 63 25.224 -6.968 -6.469 1.00 15.99 H new ATOM 0 HG SER A 63 25.594 -9.155 -6.698 1.00 17.85 H new ATOM 186 N GLU A 64 28.148 -9.060 -4.384 1.00 17.68 N ATOM 187 CA GLU A 64 28.747 -9.751 -3.248 1.00 18.27 C ATOM 188 C GLU A 64 30.013 -9.035 -2.791 1.00 17.16 C ATOM 189 O GLU A 64 30.244 -8.865 -1.593 1.00 17.13 O ATOM 190 CB GLU A 64 29.069 -11.201 -3.615 1.00 21.05 C ATOM 191 CG GLU A 64 28.090 -12.208 -3.034 1.00 22.02 C ATOM 192 CD GLU A 64 28.476 -12.657 -1.639 1.00 23.64 C ATOM 193 OE1 GLU A 64 29.687 -12.659 -1.328 1.00 25.23 O ATOM 194 OE2 GLU A 64 27.568 -13.008 -0.856 1.00 23.41 O ATOM 0 H GLU A 64 28.044 -9.634 -5.221 1.00 17.68 H new ATOM 0 HA GLU A 64 28.029 -9.746 -2.428 1.00 18.27 H new ATOM 0 HB2 GLU A 64 29.077 -11.299 -4.701 1.00 21.05 H new ATOM 0 HB3 GLU A 64 30.074 -11.441 -3.266 1.00 21.05 H new ATOM 0 HG2 GLU A 64 27.094 -11.767 -3.007 1.00 22.02 H new ATOM 0 HG3 GLU A 64 28.036 -13.077 -3.690 1.00 22.02 H new ATOM 201 N LEU A 65 30.827 -8.613 -3.753 1.00 16.31 N ATOM 202 CA LEU A 65 32.067 -7.910 -3.448 1.00 15.30 C ATOM 203 C LEU A 65 31.779 -6.629 -2.673 1.00 14.17 C ATOM 204 O LEU A 65 32.503 -6.278 -1.741 1.00 14.41 O ATOM 205 CB LEU A 65 32.826 -7.585 -4.736 1.00 15.49 C ATOM 206 CG LEU A 65 33.102 -8.784 -5.644 1.00 15.98 C ATOM 207 CD1 LEU A 65 33.181 -8.347 -7.098 1.00 14.62 C ATOM 208 CD2 LEU A 65 34.387 -9.483 -5.226 1.00 17.98 C ATOM 0 H LEU A 65 30.650 -8.745 -4.749 1.00 16.31 H new ATOM 0 HA LEU A 65 32.686 -8.560 -2.830 1.00 15.30 H new ATOM 0 HB2 LEU A 65 32.256 -6.846 -5.299 1.00 15.49 H new ATOM 0 HB3 LEU A 65 33.777 -7.122 -4.473 1.00 15.49 H new ATOM 0 HG LEU A 65 32.277 -9.489 -5.543 1.00 15.98 H new ATOM 0 HD11 LEU A 65 33.378 -9.214 -7.728 1.00 14.62 H new ATOM 0 HD12 LEU A 65 32.236 -7.891 -7.393 1.00 14.62 H new ATOM 0 HD13 LEU A 65 33.986 -7.622 -7.217 1.00 14.62 H new ATOM 0 HD21 LEU A 65 34.568 -10.334 -5.883 1.00 17.98 H new ATOM 0 HD22 LEU A 65 35.221 -8.785 -5.298 1.00 17.98 H new ATOM 0 HD23 LEU A 65 34.294 -9.832 -4.198 1.00 17.98 H new ATOM 220 N VAL A 66 30.713 -5.938 -3.062 1.00 13.28 N ATOM 221 CA VAL A 66 30.321 -4.701 -2.403 1.00 12.31 C ATOM 222 C VAL A 66 29.877 -4.965 -0.969 1.00 10.53 C ATOM 223 O VAL A 66 30.246 -4.237 -0.048 1.00 10.22 O ATOM 224 CB VAL A 66 29.178 -3.999 -3.159 1.00 12.93 C ATOM 225 CG1 VAL A 66 28.929 -2.612 -2.586 1.00 12.17 C ATOM 226 CG2 VAL A 66 29.488 -3.923 -4.646 1.00 14.99 C ATOM 0 H VAL A 66 30.105 -6.216 -3.832 1.00 13.28 H new ATOM 0 HA VAL A 66 31.196 -4.051 -2.400 1.00 12.31 H new ATOM 0 HB VAL A 66 28.269 -4.587 -3.031 1.00 12.93 H new ATOM 0 HG11 VAL A 66 28.118 -2.132 -3.134 1.00 12.17 H new ATOM 0 HG12 VAL A 66 28.656 -2.696 -1.534 1.00 12.17 H new ATOM 0 HG13 VAL A 66 29.834 -2.012 -2.679 1.00 12.17 H new ATOM 0 HG21 VAL A 66 28.669 -3.424 -5.163 1.00 14.99 H new ATOM 0 HG22 VAL A 66 30.409 -3.360 -4.797 1.00 14.99 H new ATOM 0 HG23 VAL A 66 29.608 -4.930 -5.045 1.00 14.99 H new ATOM 236 N LYS A 67 29.082 -6.015 -0.790 1.00 9.85 N ATOM 237 CA LYS A 67 28.585 -6.382 0.530 1.00 8.18 C ATOM 238 C LYS A 67 29.744 -6.641 1.489 1.00 7.91 C ATOM 239 O LYS A 67 29.728 -6.184 2.632 1.00 7.65 O ATOM 240 CB LYS A 67 27.689 -7.621 0.428 1.00 9.21 C ATOM 241 CG LYS A 67 27.359 -8.261 1.769 1.00 10.11 C ATOM 242 CD LYS A 67 26.053 -9.037 1.707 1.00 10.20 C ATOM 243 CE LYS A 67 25.914 -9.988 2.885 1.00 10.73 C ATOM 244 NZ LYS A 67 24.553 -10.587 2.956 1.00 9.97 N ATOM 0 H LYS A 67 28.768 -6.627 -1.543 1.00 9.85 H new ATOM 0 HA LYS A 67 27.996 -5.553 0.923 1.00 8.18 H new ATOM 0 HB2 LYS A 67 26.759 -7.344 -0.069 1.00 9.21 H new ATOM 0 HB3 LYS A 67 28.180 -8.360 -0.204 1.00 9.21 H new ATOM 0 HG2 LYS A 67 28.168 -8.930 2.063 1.00 10.11 H new ATOM 0 HG3 LYS A 67 27.289 -7.489 2.535 1.00 10.11 H new ATOM 0 HD2 LYS A 67 25.215 -8.340 1.699 1.00 10.20 H new ATOM 0 HD3 LYS A 67 26.007 -9.601 0.775 1.00 10.20 H new ATOM 0 HE2 LYS A 67 26.656 -10.782 2.801 1.00 10.73 H new ATOM 0 HE3 LYS A 67 26.124 -9.452 3.811 1.00 10.73 H new ATOM 0 HZ1 LYS A 67 24.498 -11.229 3.772 1.00 9.97 H new ATOM 0 HZ2 LYS A 67 23.846 -9.831 3.062 1.00 9.97 H new ATOM 0 HZ3 LYS A 67 24.362 -11.119 2.083 1.00 9.97 H new ATOM 258 N LYS A 68 30.747 -7.373 1.019 1.00 8.65 N ATOM 259 CA LYS A 68 31.911 -7.684 1.840 1.00 9.30 C ATOM 260 C LYS A 68 32.612 -6.407 2.287 1.00 9.34 C ATOM 261 O LYS A 68 33.086 -6.308 3.419 1.00 11.19 O ATOM 262 CB LYS A 68 32.888 -8.575 1.067 1.00 11.56 C ATOM 263 CG LYS A 68 32.483 -10.040 1.033 1.00 12.02 C ATOM 264 CD LYS A 68 32.818 -10.680 -0.304 1.00 11.06 C ATOM 265 CE LYS A 68 34.111 -11.475 -0.236 1.00 12.28 C ATOM 266 NZ LYS A 68 33.961 -12.833 -0.829 1.00 12.15 N ATOM 0 H LYS A 68 30.778 -7.761 0.076 1.00 8.65 H new ATOM 0 HA LYS A 68 31.569 -8.221 2.725 1.00 9.30 H new ATOM 0 HB2 LYS A 68 32.971 -8.206 0.045 1.00 11.56 H new ATOM 0 HB3 LYS A 68 33.877 -8.491 1.518 1.00 11.56 H new ATOM 0 HG2 LYS A 68 32.992 -10.578 1.833 1.00 12.02 H new ATOM 0 HG3 LYS A 68 31.413 -10.127 1.221 1.00 12.02 H new ATOM 0 HD2 LYS A 68 32.003 -11.336 -0.608 1.00 11.06 H new ATOM 0 HD3 LYS A 68 32.906 -9.906 -1.067 1.00 11.06 H new ATOM 0 HE2 LYS A 68 34.898 -10.934 -0.762 1.00 12.28 H new ATOM 0 HE3 LYS A 68 34.427 -11.566 0.803 1.00 12.28 H new ATOM 0 HZ1 LYS A 68 34.865 -13.343 -0.763 1.00 12.15 H new ATOM 0 HZ2 LYS A 68 33.228 -13.359 -0.311 1.00 12.15 H new ATOM 0 HZ3 LYS A 68 33.685 -12.747 -1.828 1.00 12.15 H new ATOM 280 N MET A 69 32.670 -5.428 1.391 1.00 7.57 N ATOM 281 CA MET A 69 33.307 -4.153 1.691 1.00 7.66 C ATOM 282 C MET A 69 32.521 -3.395 2.757 1.00 6.31 C ATOM 283 O MET A 69 33.098 -2.848 3.696 1.00 6.01 O ATOM 284 CB MET A 69 33.418 -3.306 0.422 1.00 7.83 C ATOM 285 CG MET A 69 34.215 -2.027 0.613 1.00 7.24 C ATOM 286 SD MET A 69 34.357 -1.066 -0.906 1.00 7.57 S ATOM 287 CE MET A 69 32.630 -0.803 -1.306 1.00 7.41 C ATOM 0 H MET A 69 32.283 -5.494 0.450 1.00 7.57 H new ATOM 0 HA MET A 69 34.308 -4.352 2.074 1.00 7.66 H new ATOM 0 HB2 MET A 69 33.885 -3.901 -0.363 1.00 7.83 H new ATOM 0 HB3 MET A 69 32.416 -3.052 0.076 1.00 7.83 H new ATOM 0 HG2 MET A 69 33.739 -1.418 1.381 1.00 7.24 H new ATOM 0 HG3 MET A 69 35.212 -2.275 0.976 1.00 7.24 H new ATOM 0 HE1 MET A 69 32.519 0.142 -1.837 1.00 7.41 H new ATOM 0 HE2 MET A 69 32.274 -1.618 -1.937 1.00 7.41 H new ATOM 0 HE3 MET A 69 32.044 -0.773 -0.387 1.00 7.41 H new ATOM 297 N VAL A 70 31.201 -3.372 2.603 1.00 6.29 N ATOM 298 CA VAL A 70 30.333 -2.684 3.549 1.00 6.95 C ATOM 299 C VAL A 70 30.266 -3.437 4.875 1.00 7.25 C ATOM 300 O VAL A 70 30.293 -2.826 5.943 1.00 7.13 O ATOM 301 CB VAL A 70 28.910 -2.506 2.974 1.00 7.53 C ATOM 302 CG1 VAL A 70 27.946 -1.970 4.027 1.00 9.29 C ATOM 303 CG2 VAL A 70 28.947 -1.582 1.771 1.00 5.64 C ATOM 0 H VAL A 70 30.710 -3.823 1.831 1.00 6.29 H new ATOM 0 HA VAL A 70 30.761 -1.697 3.726 1.00 6.95 H new ATOM 0 HB VAL A 70 28.547 -3.485 2.661 1.00 7.53 H new ATOM 0 HG11 VAL A 70 26.954 -1.857 3.589 1.00 9.29 H new ATOM 0 HG12 VAL A 70 27.896 -2.668 4.863 1.00 9.29 H new ATOM 0 HG13 VAL A 70 28.298 -1.002 4.383 1.00 9.29 H new ATOM 0 HG21 VAL A 70 27.939 -1.463 1.373 1.00 5.64 H new ATOM 0 HG22 VAL A 70 29.336 -0.609 2.071 1.00 5.64 H new ATOM 0 HG23 VAL A 70 29.592 -2.010 1.004 1.00 5.64 H new ATOM 313 N PHE A 71 30.182 -4.761 4.806 1.00 7.99 N ATOM 314 CA PHE A 71 30.117 -5.571 6.014 1.00 8.52 C ATOM 315 C PHE A 71 31.318 -5.284 6.906 1.00 9.07 C ATOM 316 O PHE A 71 31.165 -4.875 8.055 1.00 9.15 O ATOM 317 CB PHE A 71 30.064 -7.061 5.669 1.00 8.96 C ATOM 318 CG PHE A 71 30.163 -7.950 6.876 1.00 9.78 C ATOM 319 CD1 PHE A 71 29.209 -7.871 7.901 1.00 9.89 C ATOM 320 CD2 PHE A 71 31.217 -8.865 7.002 1.00 10.94 C ATOM 321 CE1 PHE A 71 29.305 -8.689 9.030 1.00 10.87 C ATOM 322 CE2 PHE A 71 31.317 -9.688 8.128 1.00 12.20 C ATOM 323 CZ PHE A 71 30.360 -9.599 9.143 1.00 12.06 C ATOM 0 H PHE A 71 30.158 -5.291 3.935 1.00 7.99 H new ATOM 0 HA PHE A 71 29.205 -5.310 6.550 1.00 8.52 H new ATOM 0 HB2 PHE A 71 29.132 -7.273 5.144 1.00 8.96 H new ATOM 0 HB3 PHE A 71 30.877 -7.298 4.983 1.00 8.96 H new ATOM 0 HD1 PHE A 71 28.391 -7.170 7.817 1.00 9.89 H new ATOM 0 HD2 PHE A 71 31.960 -8.935 6.221 1.00 10.94 H new ATOM 0 HE1 PHE A 71 28.565 -8.618 9.814 1.00 10.87 H new ATOM 0 HE2 PHE A 71 32.132 -10.391 8.213 1.00 12.20 H new ATOM 0 HZ PHE A 71 30.436 -10.233 10.014 1.00 12.06 H new ATOM 333 N ASP A 72 32.513 -5.494 6.365 1.00 9.48 N ATOM 334 CA ASP A 72 33.739 -5.250 7.113 1.00 10.08 C ATOM 335 C ASP A 72 33.752 -3.830 7.666 1.00 10.20 C ATOM 336 O ASP A 72 34.096 -3.609 8.828 1.00 11.39 O ATOM 337 CB ASP A 72 34.960 -5.478 6.219 1.00 10.29 C ATOM 338 CG ASP A 72 35.644 -6.800 6.505 1.00 10.68 C ATOM 339 OD1 ASP A 72 35.088 -7.600 7.287 1.00 10.76 O ATOM 340 OD2 ASP A 72 36.736 -7.036 5.947 1.00 10.93 O ATOM 0 H ASP A 72 32.658 -5.832 5.414 1.00 9.48 H new ATOM 0 HA ASP A 72 33.779 -5.949 7.948 1.00 10.08 H new ATOM 0 HB2 ASP A 72 34.652 -5.449 5.174 1.00 10.29 H new ATOM 0 HB3 ASP A 72 35.671 -4.665 6.365 1.00 10.29 H new ATOM 345 N THR A 73 33.366 -2.870 6.830 1.00 9.32 N ATOM 346 CA THR A 73 33.326 -1.474 7.242 1.00 9.32 C ATOM 347 C THR A 73 32.299 -1.278 8.351 1.00 10.65 C ATOM 348 O THR A 73 32.652 -1.020 9.501 1.00 12.06 O ATOM 349 CB THR A 73 32.992 -0.571 6.047 1.00 7.22 C ATOM 350 OG1 THR A 73 34.075 -0.528 5.134 1.00 6.23 O ATOM 351 CG2 THR A 73 32.663 0.859 6.434 1.00 6.00 C ATOM 0 H THR A 73 33.077 -3.035 5.866 1.00 9.32 H new ATOM 0 HA THR A 73 34.310 -1.199 7.622 1.00 9.32 H new ATOM 0 HB THR A 73 32.105 -1.016 5.596 1.00 7.22 H new ATOM 0 HG1 THR A 73 33.979 -1.250 4.479 1.00 6.23 H new ATOM 0 HG21 THR A 73 32.438 1.436 5.537 1.00 6.00 H new ATOM 0 HG22 THR A 73 31.798 0.867 7.097 1.00 6.00 H new ATOM 0 HG23 THR A 73 33.517 1.303 6.946 1.00 6.00 H new ATOM 359 N LEU A 74 31.024 -1.402 7.996 1.00 10.52 N ATOM 360 CA LEU A 74 29.946 -1.237 8.963 1.00 12.19 C ATOM 361 C LEU A 74 30.186 -2.089 10.203 1.00 12.40 C ATOM 362 O LEU A 74 29.906 -1.664 11.322 1.00 13.09 O ATOM 363 CB LEU A 74 28.602 -1.596 8.328 1.00 12.74 C ATOM 364 CG LEU A 74 28.108 -0.628 7.247 1.00 11.52 C ATOM 365 CD1 LEU A 74 26.613 -0.786 7.043 1.00 13.85 C ATOM 366 CD2 LEU A 74 28.446 0.813 7.609 1.00 9.88 C ATOM 0 H LEU A 74 30.713 -1.616 7.048 1.00 10.52 H new ATOM 0 HA LEU A 74 29.925 -0.191 9.268 1.00 12.19 H new ATOM 0 HB2 LEU A 74 28.679 -2.592 7.892 1.00 12.74 H new ATOM 0 HB3 LEU A 74 27.850 -1.650 9.115 1.00 12.74 H new ATOM 0 HG LEU A 74 28.617 -0.870 6.314 1.00 11.52 H new ATOM 0 HD11 LEU A 74 26.276 -0.093 6.273 1.00 13.85 H new ATOM 0 HD12 LEU A 74 26.394 -1.808 6.733 1.00 13.85 H new ATOM 0 HD13 LEU A 74 26.094 -0.571 7.977 1.00 13.85 H new ATOM 0 HD21 LEU A 74 28.085 1.479 6.826 1.00 9.88 H new ATOM 0 HD22 LEU A 74 27.969 1.072 8.554 1.00 9.88 H new ATOM 0 HD23 LEU A 74 29.526 0.920 7.706 1.00 9.88 H new ATOM 378 N LYS A 75 30.713 -3.291 9.998 1.00 11.84 N ATOM 379 CA LYS A 75 30.996 -4.194 11.106 1.00 12.00 C ATOM 380 C LYS A 75 31.848 -3.495 12.155 1.00 12.75 C ATOM 381 O LYS A 75 31.384 -3.200 13.257 1.00 13.81 O ATOM 382 CB LYS A 75 31.720 -5.446 10.603 1.00 9.98 C ATOM 383 CG LYS A 75 32.197 -6.364 11.717 1.00 10.42 C ATOM 384 CD LYS A 75 31.955 -7.826 11.379 1.00 9.69 C ATOM 385 CE LYS A 75 33.157 -8.443 10.682 1.00 8.01 C ATOM 386 NZ LYS A 75 34.380 -8.385 11.528 1.00 7.72 N ATOM 0 H LYS A 75 30.952 -3.661 9.078 1.00 11.84 H new ATOM 0 HA LYS A 75 30.049 -4.489 11.557 1.00 12.00 H new ATOM 0 HB2 LYS A 75 31.051 -6.003 9.947 1.00 9.98 H new ATOM 0 HB3 LYS A 75 32.577 -5.143 10.002 1.00 9.98 H new ATOM 0 HG2 LYS A 75 33.260 -6.202 11.893 1.00 10.42 H new ATOM 0 HG3 LYS A 75 31.679 -6.113 12.643 1.00 10.42 H new ATOM 0 HD2 LYS A 75 31.738 -8.381 12.292 1.00 9.69 H new ATOM 0 HD3 LYS A 75 31.078 -7.912 10.738 1.00 9.69 H new ATOM 0 HE2 LYS A 75 32.938 -9.481 10.431 1.00 8.01 H new ATOM 0 HE3 LYS A 75 33.340 -7.920 9.743 1.00 8.01 H new ATOM 0 HZ1 LYS A 75 34.988 -9.202 11.316 1.00 7.72 H new ATOM 0 HZ2 LYS A 75 34.899 -7.506 11.328 1.00 7.72 H new ATOM 0 HZ3 LYS A 75 34.109 -8.406 12.532 1.00 7.72 H new ATOM 400 N ASP A 76 33.098 -3.232 11.797 1.00 12.58 N ATOM 401 CA ASP A 76 34.030 -2.566 12.697 1.00 13.84 C ATOM 402 C ASP A 76 33.562 -1.150 13.025 1.00 15.67 C ATOM 403 O ASP A 76 33.863 -0.622 14.097 1.00 17.34 O ATOM 404 CB ASP A 76 35.425 -2.519 12.071 1.00 13.19 C ATOM 405 CG ASP A 76 36.526 -2.693 13.098 1.00 14.63 C ATOM 406 OD1 ASP A 76 36.375 -2.170 14.222 1.00 15.23 O ATOM 407 OD2 ASP A 76 37.537 -3.352 12.779 1.00 15.34 O ATOM 0 H ASP A 76 33.491 -3.471 10.886 1.00 12.58 H new ATOM 0 HA ASP A 76 34.069 -3.138 13.624 1.00 13.84 H new ATOM 0 HB2 ASP A 76 35.508 -3.302 11.317 1.00 13.19 H new ATOM 0 HB3 ASP A 76 35.558 -1.567 11.558 1.00 13.19 H new ATOM 412 N LEU A 77 32.829 -0.538 12.099 1.00 15.53 N ATOM 413 CA LEU A 77 32.326 0.816 12.296 1.00 17.30 C ATOM 414 C LEU A 77 31.316 0.861 13.440 1.00 19.59 C ATOM 415 O LEU A 77 31.482 1.617 14.396 1.00 21.45 O ATOM 416 CB LEU A 77 31.699 1.336 10.994 1.00 16.59 C ATOM 417 CG LEU A 77 30.719 2.504 11.142 1.00 16.68 C ATOM 418 CD1 LEU A 77 31.274 3.554 12.090 1.00 15.80 C ATOM 419 CD2 LEU A 77 30.411 3.117 9.783 1.00 17.33 C ATOM 0 H LEU A 77 32.571 -0.958 11.206 1.00 15.53 H new ATOM 0 HA LEU A 77 33.161 1.462 12.565 1.00 17.30 H new ATOM 0 HB2 LEU A 77 32.502 1.644 10.325 1.00 16.59 H new ATOM 0 HB3 LEU A 77 31.179 0.510 10.509 1.00 16.59 H new ATOM 0 HG LEU A 77 29.790 2.121 11.565 1.00 16.68 H new ATOM 0 HD11 LEU A 77 30.562 4.375 12.181 1.00 15.80 H new ATOM 0 HD12 LEU A 77 31.440 3.108 13.070 1.00 15.80 H new ATOM 0 HD13 LEU A 77 32.218 3.934 11.700 1.00 15.80 H new ATOM 0 HD21 LEU A 77 29.713 3.945 9.907 1.00 17.33 H new ATOM 0 HD22 LEU A 77 31.333 3.484 9.332 1.00 17.33 H new ATOM 0 HD23 LEU A 77 29.966 2.362 9.136 1.00 17.33 H new ATOM 431 N TYR A 78 30.270 0.048 13.335 1.00 19.55 N ATOM 432 CA TYR A 78 29.239 -0.002 14.363 1.00 21.75 C ATOM 433 C TYR A 78 29.817 -0.485 15.691 1.00 22.71 C ATOM 434 O TYR A 78 29.272 -0.197 16.757 1.00 23.32 O ATOM 435 CB TYR A 78 28.095 -0.919 13.926 1.00 23.30 C ATOM 436 CG TYR A 78 27.376 -0.451 12.680 1.00 23.31 C ATOM 437 CD1 TYR A 78 27.416 0.898 12.281 1.00 23.71 C ATOM 438 CD2 TYR A 78 26.648 -1.356 11.887 1.00 23.29 C ATOM 439 CE1 TYR A 78 26.751 1.330 11.131 1.00 24.10 C ATOM 440 CE2 TYR A 78 25.981 -0.930 10.735 1.00 23.68 C ATOM 441 CZ TYR A 78 26.036 0.413 10.362 1.00 24.08 C ATOM 442 OH TYR A 78 25.380 0.835 9.228 1.00 24.79 O ATOM 0 H TYR A 78 30.115 -0.584 12.550 1.00 19.55 H new ATOM 0 HA TYR A 78 28.851 1.007 14.502 1.00 21.75 H new ATOM 0 HB2 TYR A 78 28.491 -1.919 13.751 1.00 23.30 H new ATOM 0 HB3 TYR A 78 27.375 -0.999 14.741 1.00 23.30 H new ATOM 0 HD1 TYR A 78 27.970 1.611 12.874 1.00 23.71 H new ATOM 0 HD2 TYR A 78 26.604 -2.397 12.173 1.00 23.29 H new ATOM 0 HE1 TYR A 78 26.791 2.369 10.839 1.00 24.10 H new ATOM 0 HE2 TYR A 78 25.426 -1.637 10.137 1.00 23.68 H new ATOM 0 HH TYR A 78 24.413 0.814 9.383 1.00 24.79 H new ATOM 452 N LYS A 79 30.923 -1.218 15.621 1.00 22.93 N ATOM 453 CA LYS A 79 31.573 -1.738 16.818 1.00 23.98 C ATOM 454 C LYS A 79 32.285 -0.623 17.577 1.00 23.80 C ATOM 455 O LYS A 79 32.426 -0.682 18.797 1.00 23.53 O ATOM 456 CB LYS A 79 32.572 -2.836 16.447 1.00 22.76 C ATOM 457 CG LYS A 79 32.449 -4.085 17.304 1.00 24.70 C ATOM 458 CD LYS A 79 33.463 -4.086 18.437 1.00 25.78 C ATOM 459 CE LYS A 79 33.480 -5.419 19.168 1.00 26.43 C ATOM 460 NZ LYS A 79 34.848 -5.784 19.629 1.00 26.73 N ATOM 0 H LYS A 79 31.388 -1.465 14.748 1.00 22.93 H new ATOM 0 HA LYS A 79 30.804 -2.161 17.464 1.00 23.98 H new ATOM 0 HB2 LYS A 79 32.429 -3.108 15.401 1.00 22.76 H new ATOM 0 HB3 LYS A 79 33.584 -2.441 16.538 1.00 22.76 H new ATOM 0 HG2 LYS A 79 31.442 -4.147 17.716 1.00 24.70 H new ATOM 0 HG3 LYS A 79 32.595 -4.969 16.683 1.00 24.70 H new ATOM 0 HD2 LYS A 79 34.456 -3.876 18.039 1.00 25.78 H new ATOM 0 HD3 LYS A 79 33.226 -3.287 19.140 1.00 25.78 H new ATOM 0 HE2 LYS A 79 32.809 -5.371 20.026 1.00 26.43 H new ATOM 0 HE3 LYS A 79 33.099 -6.199 18.509 1.00 26.43 H new ATOM 0 HZ1 LYS A 79 34.815 -6.699 20.122 1.00 26.73 H new ATOM 0 HZ2 LYS A 79 35.483 -5.855 18.809 1.00 26.73 H new ATOM 0 HZ3 LYS A 79 35.202 -5.053 20.278 1.00 26.73 H new ATOM 474 N LYS A 80 32.736 0.391 16.844 1.00 24.09 N ATOM 475 CA LYS A 80 33.436 1.514 17.449 1.00 24.22 C ATOM 476 C LYS A 80 32.456 2.485 18.101 1.00 26.99 C ATOM 477 O LYS A 80 32.811 3.207 19.033 1.00 27.66 O ATOM 478 CB LYS A 80 34.274 2.244 16.397 1.00 22.94 C ATOM 479 CG LYS A 80 35.750 1.890 16.448 1.00 21.59 C ATOM 480 CD LYS A 80 36.576 2.817 15.573 1.00 22.13 C ATOM 481 CE LYS A 80 37.660 2.058 14.825 1.00 21.31 C ATOM 482 NZ LYS A 80 38.962 2.780 14.851 1.00 21.92 N ATOM 0 H LYS A 80 32.628 0.456 15.832 1.00 24.09 H new ATOM 0 HA LYS A 80 34.096 1.123 18.223 1.00 24.22 H new ATOM 0 HB2 LYS A 80 33.886 2.008 15.406 1.00 22.94 H new ATOM 0 HB3 LYS A 80 34.161 3.319 16.536 1.00 22.94 H new ATOM 0 HG2 LYS A 80 36.104 1.949 17.477 1.00 21.59 H new ATOM 0 HG3 LYS A 80 35.889 0.860 16.121 1.00 21.59 H new ATOM 0 HD2 LYS A 80 35.925 3.321 14.859 1.00 22.13 H new ATOM 0 HD3 LYS A 80 37.032 3.591 16.190 1.00 22.13 H new ATOM 0 HE2 LYS A 80 37.784 1.070 15.269 1.00 21.31 H new ATOM 0 HE3 LYS A 80 37.350 1.906 13.791 1.00 21.31 H new ATOM 0 HZ1 LYS A 80 39.675 2.230 14.330 1.00 21.92 H new ATOM 0 HZ2 LYS A 80 38.851 3.713 14.405 1.00 21.92 H new ATOM 0 HZ3 LYS A 80 39.271 2.902 15.836 1.00 21.92 H new ATOM 496 N THR A 81 31.223 2.498 17.607 1.00 28.61 N ATOM 497 CA THR A 81 30.194 3.382 18.144 1.00 31.32 C ATOM 498 C THR A 81 29.853 3.013 19.582 1.00 32.39 C ATOM 499 O THR A 81 29.768 3.878 20.453 1.00 32.28 O ATOM 500 CB THR A 81 28.935 3.320 17.278 1.00 32.51 C ATOM 501 OG1 THR A 81 29.007 2.239 16.365 1.00 30.83 O ATOM 502 CG2 THR A 81 28.698 4.581 16.476 1.00 33.35 C ATOM 0 H THR A 81 30.911 1.907 16.836 1.00 28.61 H new ATOM 0 HA THR A 81 30.585 4.399 18.133 1.00 31.32 H new ATOM 0 HB THR A 81 28.109 3.192 17.978 1.00 32.51 H new ATOM 0 HG1 THR A 81 28.673 1.424 16.796 1.00 30.83 H new ATOM 0 HG21 THR A 81 27.789 4.470 15.884 1.00 33.35 H new ATOM 0 HG22 THR A 81 28.589 5.428 17.153 1.00 33.35 H new ATOM 0 HG23 THR A 81 29.545 4.754 15.812 1.00 33.35 H new ATOM 566 N ASP B 54 25.166 -6.273 18.738 1.00 33.82 N ATOM 567 CA ASP B 54 24.201 -5.762 17.772 1.00 32.05 C ATOM 568 C ASP B 54 24.911 -5.088 16.603 1.00 30.93 C ATOM 569 O ASP B 54 24.382 -5.026 15.493 1.00 30.54 O ATOM 570 CB ASP B 54 23.248 -4.772 18.445 1.00 32.68 C ATOM 571 CG ASP B 54 23.985 -3.682 19.197 1.00 33.31 C ATOM 572 OD1 ASP B 54 24.959 -4.006 19.909 1.00 33.93 O ATOM 573 OD2 ASP B 54 23.588 -2.504 19.076 1.00 33.29 O ATOM 0 HA ASP B 54 23.625 -6.605 17.389 1.00 32.05 H new ATOM 0 HB2 ASP B 54 22.606 -4.319 17.690 1.00 32.68 H new ATOM 0 HB3 ASP B 54 22.597 -5.310 19.135 1.00 32.68 H new ATOM 578 N ALA B 55 26.114 -4.587 16.864 1.00 30.53 N ATOM 579 CA ALA B 55 26.902 -3.919 15.836 1.00 29.54 C ATOM 580 C ALA B 55 27.067 -4.810 14.611 1.00 28.38 C ATOM 581 O ALA B 55 26.895 -4.363 13.477 1.00 27.19 O ATOM 582 CB ALA B 55 28.261 -3.521 16.390 1.00 30.17 C ATOM 0 H ALA B 55 26.564 -4.631 17.778 1.00 30.53 H new ATOM 0 HA ALA B 55 26.370 -3.018 15.530 1.00 29.54 H new ATOM 0 HB1 ALA B 55 28.839 -3.023 15.612 1.00 30.17 H new ATOM 0 HB2 ALA B 55 28.126 -2.842 17.232 1.00 30.17 H new ATOM 0 HB3 ALA B 55 28.793 -4.412 16.724 1.00 30.17 H new ATOM 588 N GLU B 56 27.398 -6.074 14.850 1.00 28.77 N ATOM 589 CA GLU B 56 27.582 -7.032 13.767 1.00 27.79 C ATOM 590 C GLU B 56 26.253 -7.326 13.080 1.00 27.17 C ATOM 591 O GLU B 56 26.143 -7.244 11.856 1.00 27.70 O ATOM 592 CB GLU B 56 28.191 -8.329 14.301 1.00 28.49 C ATOM 593 CG GLU B 56 28.956 -9.121 13.252 1.00 30.07 C ATOM 594 CD GLU B 56 28.092 -10.158 12.560 1.00 29.55 C ATOM 595 OE1 GLU B 56 26.922 -9.849 12.255 1.00 29.44 O ATOM 596 OE2 GLU B 56 28.588 -11.280 12.324 1.00 29.29 O ATOM 0 H GLU B 56 27.544 -6.459 15.783 1.00 28.77 H new ATOM 0 HA GLU B 56 28.264 -6.596 13.037 1.00 27.79 H new ATOM 0 HB2 GLU B 56 28.863 -8.092 15.126 1.00 28.49 H new ATOM 0 HB3 GLU B 56 27.395 -8.954 14.707 1.00 28.49 H new ATOM 0 HG2 GLU B 56 29.361 -8.435 12.508 1.00 30.07 H new ATOM 0 HG3 GLU B 56 29.805 -9.617 13.723 1.00 30.07 H new ATOM 603 N ARG B 57 25.244 -7.664 13.876 1.00 26.24 N ATOM 604 CA ARG B 57 23.921 -7.964 13.344 1.00 25.89 C ATOM 605 C ARG B 57 23.413 -6.809 12.492 1.00 23.95 C ATOM 606 O ARG B 57 22.721 -7.016 11.494 1.00 23.74 O ATOM 607 CB ARG B 57 22.939 -8.242 14.483 1.00 26.23 C ATOM 608 CG ARG B 57 23.248 -9.514 15.256 1.00 26.72 C ATOM 609 CD ARG B 57 22.708 -9.447 16.674 1.00 27.68 C ATOM 610 NE ARG B 57 21.280 -9.144 16.701 1.00 26.97 N ATOM 611 CZ ARG B 57 20.573 -9.028 17.820 1.00 26.48 C ATOM 612 NH1 ARG B 57 21.160 -9.186 18.998 1.00 26.60 N ATOM 613 NH2 ARG B 57 19.277 -8.752 17.762 1.00 25.98 N ATOM 0 H ARG B 57 25.318 -7.737 14.891 1.00 26.24 H new ATOM 0 HA ARG B 57 23.998 -8.853 12.719 1.00 25.89 H new ATOM 0 HB2 ARG B 57 22.946 -7.397 15.172 1.00 26.23 H new ATOM 0 HB3 ARG B 57 21.931 -8.311 14.074 1.00 26.23 H new ATOM 0 HG2 ARG B 57 22.813 -10.370 14.740 1.00 26.72 H new ATOM 0 HG3 ARG B 57 24.326 -9.672 15.283 1.00 26.72 H new ATOM 0 HD2 ARG B 57 22.886 -10.398 17.175 1.00 27.68 H new ATOM 0 HD3 ARG B 57 23.251 -8.685 17.233 1.00 27.68 H new ATOM 0 HE ARG B 57 20.798 -9.014 15.811 1.00 26.97 H new ATOM 0 HH11 ARG B 57 22.157 -9.397 19.047 1.00 26.60 H new ATOM 0 HH12 ARG B 57 20.615 -9.096 19.856 1.00 26.60 H new ATOM 0 HH21 ARG B 57 18.822 -8.629 16.858 1.00 25.98 H new ATOM 0 HH22 ARG B 57 18.735 -8.663 18.622 1.00 25.98 H new ATOM 627 N LEU B 58 23.766 -5.591 12.889 1.00 22.66 N ATOM 628 CA LEU B 58 23.352 -4.399 12.161 1.00 21.03 C ATOM 629 C LEU B 58 24.001 -4.360 10.785 1.00 19.00 C ATOM 630 O LEU B 58 23.315 -4.366 9.762 1.00 17.17 O ATOM 631 CB LEU B 58 23.721 -3.138 12.946 1.00 21.97 C ATOM 632 CG LEU B 58 22.659 -2.653 13.933 1.00 21.93 C ATOM 633 CD1 LEU B 58 23.297 -1.829 15.040 1.00 21.59 C ATOM 634 CD2 LEU B 58 21.592 -1.844 13.212 1.00 21.76 C ATOM 0 H LEU B 58 24.339 -5.404 13.712 1.00 22.66 H new ATOM 0 HA LEU B 58 22.270 -4.435 12.038 1.00 21.03 H new ATOM 0 HB2 LEU B 58 24.644 -3.327 13.494 1.00 21.97 H new ATOM 0 HB3 LEU B 58 23.929 -2.336 12.238 1.00 21.97 H new ATOM 0 HG LEU B 58 22.184 -3.524 14.384 1.00 21.93 H new ATOM 0 HD11 LEU B 58 22.526 -1.492 15.733 1.00 21.59 H new ATOM 0 HD12 LEU B 58 24.024 -2.440 15.575 1.00 21.59 H new ATOM 0 HD13 LEU B 58 23.798 -0.964 14.607 1.00 21.59 H new ATOM 0 HD21 LEU B 58 20.844 -1.507 13.930 1.00 21.76 H new ATOM 0 HD22 LEU B 58 22.052 -0.979 12.734 1.00 21.76 H new ATOM 0 HD23 LEU B 58 21.114 -2.465 12.455 1.00 21.76 H new ATOM 646 N ALA B 59 25.328 -4.327 10.769 1.00 19.54 N ATOM 647 CA ALA B 59 26.084 -4.292 9.521 1.00 17.96 C ATOM 648 C ALA B 59 25.565 -5.339 8.542 1.00 17.01 C ATOM 649 O ALA B 59 25.574 -5.127 7.329 1.00 17.31 O ATOM 650 CB ALA B 59 27.565 -4.507 9.794 1.00 18.33 C ATOM 0 H ALA B 59 25.906 -4.324 11.610 1.00 19.54 H new ATOM 0 HA ALA B 59 25.951 -3.309 9.069 1.00 17.96 H new ATOM 0 HB1 ALA B 59 28.116 -4.478 8.854 1.00 18.33 H new ATOM 0 HB2 ALA B 59 27.931 -3.720 10.454 1.00 18.33 H new ATOM 0 HB3 ALA B 59 27.710 -5.477 10.270 1.00 18.33 H new ATOM 656 N ASP B 60 25.107 -6.465 9.079 1.00 16.11 N ATOM 657 CA ASP B 60 24.573 -7.540 8.251 1.00 15.36 C ATOM 658 C ASP B 60 23.313 -7.077 7.529 1.00 12.61 C ATOM 659 O ASP B 60 23.123 -7.357 6.346 1.00 11.93 O ATOM 660 CB ASP B 60 24.268 -8.773 9.104 1.00 15.80 C ATOM 661 CG ASP B 60 23.930 -9.989 8.262 1.00 16.78 C ATOM 662 OD1 ASP B 60 23.104 -9.857 7.334 1.00 15.51 O ATOM 663 OD2 ASP B 60 24.491 -11.072 8.531 1.00 18.90 O ATOM 0 H ASP B 60 25.095 -6.656 10.081 1.00 16.11 H new ATOM 0 HA ASP B 60 25.325 -7.808 7.509 1.00 15.36 H new ATOM 0 HB2 ASP B 60 25.129 -8.998 9.733 1.00 15.80 H new ATOM 0 HB3 ASP B 60 23.434 -8.553 9.771 1.00 15.80 H new ATOM 668 N GLU B 61 22.459 -6.356 8.251 1.00 11.43 N ATOM 669 CA GLU B 61 21.223 -5.843 7.680 1.00 8.85 C ATOM 670 C GLU B 61 21.525 -4.780 6.630 1.00 8.68 C ATOM 671 O GLU B 61 20.854 -4.696 5.601 1.00 8.05 O ATOM 672 CB GLU B 61 20.331 -5.259 8.777 1.00 7.61 C ATOM 673 CG GLU B 61 19.780 -6.305 9.732 1.00 9.54 C ATOM 674 CD GLU B 61 18.398 -5.954 10.245 1.00 9.15 C ATOM 675 OE1 GLU B 61 18.257 -4.897 10.897 1.00 10.66 O ATOM 676 OE2 GLU B 61 17.456 -6.734 9.995 1.00 7.91 O ATOM 0 H GLU B 61 22.603 -6.115 9.232 1.00 11.43 H new ATOM 0 HA GLU B 61 20.695 -6.668 7.202 1.00 8.85 H new ATOM 0 HB2 GLU B 61 20.902 -4.524 9.345 1.00 7.61 H new ATOM 0 HB3 GLU B 61 19.500 -4.728 8.314 1.00 7.61 H new ATOM 0 HG2 GLU B 61 19.742 -7.270 9.226 1.00 9.54 H new ATOM 0 HG3 GLU B 61 20.460 -6.415 10.577 1.00 9.54 H new ATOM 683 N GLN B 62 22.549 -3.975 6.896 1.00 9.74 N ATOM 684 CA GLN B 62 22.954 -2.922 5.974 1.00 9.72 C ATOM 685 C GLN B 62 23.523 -3.526 4.695 1.00 10.82 C ATOM 686 O GLN B 62 23.220 -3.071 3.591 1.00 11.16 O ATOM 687 CB GLN B 62 23.999 -2.018 6.626 1.00 9.17 C ATOM 688 CG GLN B 62 23.792 -1.810 8.119 1.00 9.38 C ATOM 689 CD GLN B 62 22.340 -1.567 8.484 1.00 6.99 C ATOM 690 OE1 GLN B 62 21.519 -1.240 7.628 1.00 6.29 O ATOM 691 NE2 GLN B 62 22.017 -1.727 9.762 1.00 6.35 N ATOM 0 H GLN B 62 23.113 -4.033 7.744 1.00 9.74 H new ATOM 0 HA GLN B 62 22.075 -2.327 5.725 1.00 9.72 H new ATOM 0 HB2 GLN B 62 24.988 -2.447 6.463 1.00 9.17 H new ATOM 0 HB3 GLN B 62 23.986 -1.048 6.129 1.00 9.17 H new ATOM 0 HG2 GLN B 62 24.155 -2.686 8.657 1.00 9.38 H new ATOM 0 HG3 GLN B 62 24.392 -0.962 8.449 1.00 9.38 H new ATOM 0 HE21 GLN B 62 22.731 -1.999 10.438 1.00 6.35 H new ATOM 0 HE22 GLN B 62 21.055 -1.578 10.068 1.00 6.35 H new ATOM 700 N SER B 63 24.348 -4.555 4.855 1.00 11.49 N ATOM 701 CA SER B 63 24.965 -5.230 3.719 1.00 12.59 C ATOM 702 C SER B 63 23.907 -5.718 2.737 1.00 11.67 C ATOM 703 O SER B 63 23.852 -5.267 1.593 1.00 10.15 O ATOM 704 CB SER B 63 25.810 -6.410 4.200 1.00 15.60 C ATOM 705 OG SER B 63 25.461 -6.780 5.523 1.00 16.71 O ATOM 0 H SER B 63 24.606 -4.941 5.763 1.00 11.49 H new ATOM 0 HA SER B 63 25.608 -4.514 3.208 1.00 12.59 H new ATOM 0 HB2 SER B 63 25.668 -7.259 3.532 1.00 15.60 H new ATOM 0 HB3 SER B 63 26.867 -6.145 4.159 1.00 15.60 H new ATOM 0 HG SER B 63 25.952 -6.220 6.160 1.00 16.71 H new ATOM 711 N GLU B 64 23.070 -6.646 3.192 1.00 13.02 N ATOM 712 CA GLU B 64 22.014 -7.200 2.357 1.00 13.30 C ATOM 713 C GLU B 64 21.213 -6.091 1.682 1.00 10.93 C ATOM 714 O GLU B 64 20.691 -6.269 0.582 1.00 11.20 O ATOM 715 CB GLU B 64 21.087 -8.077 3.199 1.00 15.36 C ATOM 716 CG GLU B 64 20.237 -7.292 4.184 1.00 14.60 C ATOM 717 CD GLU B 64 19.043 -8.083 4.683 1.00 16.26 C ATOM 718 OE1 GLU B 64 18.036 -8.163 3.949 1.00 15.56 O ATOM 719 OE2 GLU B 64 19.117 -8.623 5.807 1.00 18.30 O ATOM 0 H GLU B 64 23.105 -7.029 4.137 1.00 13.02 H new ATOM 0 HA GLU B 64 22.477 -7.808 1.580 1.00 13.30 H new ATOM 0 HB2 GLU B 64 20.432 -8.641 2.535 1.00 15.36 H new ATOM 0 HB3 GLU B 64 21.687 -8.803 3.747 1.00 15.36 H new ATOM 0 HG2 GLU B 64 20.852 -6.995 5.033 1.00 14.60 H new ATOM 0 HG3 GLU B 64 19.888 -6.376 3.708 1.00 14.60 H new ATOM 726 N LEU B 65 21.122 -4.945 2.349 1.00 9.24 N ATOM 727 CA LEU B 65 20.388 -3.806 1.815 1.00 7.23 C ATOM 728 C LEU B 65 21.131 -3.186 0.636 1.00 5.79 C ATOM 729 O LEU B 65 20.520 -2.771 -0.348 1.00 4.78 O ATOM 730 CB LEU B 65 20.170 -2.757 2.908 1.00 8.00 C ATOM 731 CG LEU B 65 18.707 -2.494 3.268 1.00 9.47 C ATOM 732 CD1 LEU B 65 18.537 -2.392 4.776 1.00 10.20 C ATOM 733 CD2 LEU B 65 18.211 -1.228 2.586 1.00 8.69 C ATOM 0 H LEU B 65 21.548 -4.782 3.261 1.00 9.24 H new ATOM 0 HA LEU B 65 19.419 -4.160 1.463 1.00 7.23 H new ATOM 0 HB2 LEU B 65 20.698 -3.075 3.807 1.00 8.00 H new ATOM 0 HB3 LEU B 65 20.624 -1.819 2.587 1.00 8.00 H new ATOM 0 HG LEU B 65 18.109 -3.333 2.913 1.00 9.47 H new ATOM 0 HD11 LEU B 65 17.490 -2.205 5.012 1.00 10.20 H new ATOM 0 HD12 LEU B 65 18.853 -3.326 5.242 1.00 10.20 H new ATOM 0 HD13 LEU B 65 19.147 -1.572 5.156 1.00 10.20 H new ATOM 0 HD21 LEU B 65 17.168 -1.056 2.853 1.00 8.69 H new ATOM 0 HD22 LEU B 65 18.814 -0.380 2.911 1.00 8.69 H new ATOM 0 HD23 LEU B 65 18.295 -1.340 1.505 1.00 8.69 H new ATOM 745 N VAL B 66 22.455 -3.124 0.745 1.00 6.50 N ATOM 746 CA VAL B 66 23.282 -2.552 -0.311 1.00 6.62 C ATOM 747 C VAL B 66 23.270 -3.435 -1.552 1.00 7.08 C ATOM 748 O VAL B 66 23.237 -2.941 -2.679 1.00 7.28 O ATOM 749 CB VAL B 66 24.745 -2.359 0.144 1.00 7.71 C ATOM 750 CG1 VAL B 66 25.431 -1.301 -0.707 1.00 8.24 C ATOM 751 CG2 VAL B 66 24.811 -1.989 1.619 1.00 8.21 C ATOM 0 H VAL B 66 22.977 -3.463 1.553 1.00 6.50 H new ATOM 0 HA VAL B 66 22.854 -1.578 -0.546 1.00 6.62 H new ATOM 0 HB VAL B 66 25.271 -3.304 0.010 1.00 7.71 H new ATOM 0 HG11 VAL B 66 26.461 -1.177 -0.373 1.00 8.24 H new ATOM 0 HG12 VAL B 66 25.423 -1.613 -1.751 1.00 8.24 H new ATOM 0 HG13 VAL B 66 24.901 -0.354 -0.607 1.00 8.24 H new ATOM 0 HG21 VAL B 66 25.852 -1.859 1.915 1.00 8.21 H new ATOM 0 HG22 VAL B 66 24.267 -1.059 1.786 1.00 8.21 H new ATOM 0 HG23 VAL B 66 24.361 -2.784 2.214 1.00 8.21 H new ATOM 761 N LYS B 67 23.301 -4.745 -1.336 1.00 7.87 N ATOM 762 CA LYS B 67 23.296 -5.701 -2.436 1.00 8.58 C ATOM 763 C LYS B 67 22.076 -5.502 -3.326 1.00 7.88 C ATOM 764 O LYS B 67 22.205 -5.251 -4.521 1.00 8.11 O ATOM 765 CB LYS B 67 23.325 -7.133 -1.895 1.00 9.62 C ATOM 766 CG LYS B 67 23.136 -8.196 -2.966 1.00 12.62 C ATOM 767 CD LYS B 67 23.772 -9.516 -2.562 1.00 13.39 C ATOM 768 CE LYS B 67 22.721 -10.547 -2.181 1.00 14.38 C ATOM 769 NZ LYS B 67 23.273 -11.930 -2.188 1.00 14.20 N ATOM 0 H LYS B 67 23.330 -5.169 -0.409 1.00 7.87 H new ATOM 0 HA LYS B 67 24.189 -5.530 -3.037 1.00 8.58 H new ATOM 0 HB2 LYS B 67 24.277 -7.302 -1.392 1.00 9.62 H new ATOM 0 HB3 LYS B 67 22.543 -7.244 -1.144 1.00 9.62 H new ATOM 0 HG2 LYS B 67 22.072 -8.345 -3.148 1.00 12.62 H new ATOM 0 HG3 LYS B 67 23.574 -7.852 -3.903 1.00 12.62 H new ATOM 0 HD2 LYS B 67 24.376 -9.897 -3.386 1.00 13.39 H new ATOM 0 HD3 LYS B 67 24.446 -9.354 -1.721 1.00 13.39 H new ATOM 0 HE2 LYS B 67 22.329 -10.317 -1.190 1.00 14.38 H new ATOM 0 HE3 LYS B 67 21.884 -10.486 -2.877 1.00 14.38 H new ATOM 0 HZ1 LYS B 67 22.526 -12.603 -1.923 1.00 14.20 H new ATOM 0 HZ2 LYS B 67 23.624 -12.159 -3.140 1.00 14.20 H new ATOM 0 HZ3 LYS B 67 24.055 -11.995 -1.506 1.00 14.20 H new ATOM 783 N LYS B 68 20.891 -5.618 -2.737 1.00 7.82 N ATOM 784 CA LYS B 68 19.652 -5.448 -3.486 1.00 7.71 C ATOM 785 C LYS B 68 19.661 -4.130 -4.252 1.00 7.73 C ATOM 786 O LYS B 68 19.101 -4.031 -5.344 1.00 7.86 O ATOM 787 CB LYS B 68 18.448 -5.500 -2.545 1.00 6.87 C ATOM 788 CG LYS B 68 17.357 -6.452 -3.009 1.00 7.39 C ATOM 789 CD LYS B 68 16.167 -6.440 -2.063 1.00 8.51 C ATOM 790 CE LYS B 68 15.187 -7.558 -2.386 1.00 9.28 C ATOM 791 NZ LYS B 68 14.027 -7.069 -3.181 1.00 10.07 N ATOM 0 H LYS B 68 20.762 -5.828 -1.747 1.00 7.82 H new ATOM 0 HA LYS B 68 19.574 -6.265 -4.203 1.00 7.71 H new ATOM 0 HB2 LYS B 68 18.785 -5.801 -1.553 1.00 6.87 H new ATOM 0 HB3 LYS B 68 18.029 -4.499 -2.449 1.00 6.87 H new ATOM 0 HG2 LYS B 68 17.030 -6.172 -4.010 1.00 7.39 H new ATOM 0 HG3 LYS B 68 17.759 -7.463 -3.076 1.00 7.39 H new ATOM 0 HD2 LYS B 68 16.516 -6.546 -1.036 1.00 8.51 H new ATOM 0 HD3 LYS B 68 15.658 -5.478 -2.129 1.00 8.51 H new ATOM 0 HE2 LYS B 68 15.702 -8.343 -2.940 1.00 9.28 H new ATOM 0 HE3 LYS B 68 14.829 -8.005 -1.459 1.00 9.28 H new ATOM 0 HZ1 LYS B 68 13.384 -7.862 -3.380 1.00 10.07 H new ATOM 0 HZ2 LYS B 68 13.520 -6.338 -2.642 1.00 10.07 H new ATOM 0 HZ3 LYS B 68 14.366 -6.665 -4.077 1.00 10.07 H new ATOM 805 N MET B 69 20.302 -3.118 -3.674 1.00 7.75 N ATOM 806 CA MET B 69 20.384 -1.805 -4.305 1.00 8.02 C ATOM 807 C MET B 69 21.244 -1.858 -5.564 1.00 9.05 C ATOM 808 O MET B 69 20.809 -1.455 -6.645 1.00 10.96 O ATOM 809 CB MET B 69 20.960 -0.782 -3.324 1.00 7.10 C ATOM 810 CG MET B 69 21.225 0.578 -3.948 1.00 8.06 C ATOM 811 SD MET B 69 21.999 1.729 -2.796 1.00 7.12 S ATOM 812 CE MET B 69 23.561 0.908 -2.494 1.00 4.75 C ATOM 0 H MET B 69 20.772 -3.182 -2.771 1.00 7.75 H new ATOM 0 HA MET B 69 19.376 -1.502 -4.588 1.00 8.02 H new ATOM 0 HB2 MET B 69 20.268 -0.661 -2.490 1.00 7.10 H new ATOM 0 HB3 MET B 69 21.891 -1.171 -2.912 1.00 7.10 H new ATOM 0 HG2 MET B 69 21.867 0.455 -4.820 1.00 8.06 H new ATOM 0 HG3 MET B 69 20.285 1.001 -4.302 1.00 8.06 H new ATOM 0 HE1 MET B 69 24.348 1.654 -2.382 1.00 4.75 H new ATOM 0 HE2 MET B 69 23.490 0.316 -1.582 1.00 4.75 H new ATOM 0 HE3 MET B 69 23.797 0.254 -3.334 1.00 4.75 H new ATOM 822 N VAL B 70 22.468 -2.356 -5.420 1.00 8.00 N ATOM 823 CA VAL B 70 23.388 -2.458 -6.544 1.00 8.78 C ATOM 824 C VAL B 70 23.012 -3.613 -7.468 1.00 10.59 C ATOM 825 O VAL B 70 23.405 -3.639 -8.634 1.00 10.93 O ATOM 826 CB VAL B 70 24.838 -2.645 -6.063 1.00 8.38 C ATOM 827 CG1 VAL B 70 25.802 -2.609 -7.239 1.00 7.55 C ATOM 828 CG2 VAL B 70 25.195 -1.580 -5.035 1.00 8.38 C ATOM 0 H VAL B 70 22.845 -2.695 -4.535 1.00 8.00 H new ATOM 0 HA VAL B 70 23.314 -1.522 -7.098 1.00 8.78 H new ATOM 0 HB VAL B 70 24.923 -3.622 -5.588 1.00 8.38 H new ATOM 0 HG11 VAL B 70 26.822 -2.743 -6.878 1.00 7.55 H new ATOM 0 HG12 VAL B 70 25.556 -3.410 -7.936 1.00 7.55 H new ATOM 0 HG13 VAL B 70 25.720 -1.648 -7.747 1.00 7.55 H new ATOM 0 HG21 VAL B 70 26.223 -1.724 -4.704 1.00 8.38 H new ATOM 0 HG22 VAL B 70 25.094 -0.592 -5.484 1.00 8.38 H new ATOM 0 HG23 VAL B 70 24.524 -1.660 -4.180 1.00 8.38 H new ATOM 838 N PHE B 71 22.246 -4.563 -6.943 1.00 12.26 N ATOM 839 CA PHE B 71 21.815 -5.715 -7.725 1.00 14.11 C ATOM 840 C PHE B 71 20.960 -5.269 -8.904 1.00 16.77 C ATOM 841 O PHE B 71 21.153 -5.722 -10.033 1.00 18.17 O ATOM 842 CB PHE B 71 21.030 -6.690 -6.848 1.00 14.48 C ATOM 843 CG PHE B 71 20.484 -7.870 -7.601 1.00 14.14 C ATOM 844 CD1 PHE B 71 21.288 -8.569 -8.511 1.00 12.87 C ATOM 845 CD2 PHE B 71 19.161 -8.291 -7.404 1.00 15.19 C ATOM 846 CE1 PHE B 71 20.783 -9.667 -9.213 1.00 12.65 C ATOM 847 CE2 PHE B 71 18.650 -9.389 -8.102 1.00 14.91 C ATOM 848 CZ PHE B 71 19.462 -10.077 -9.008 1.00 13.63 C ATOM 0 H PHE B 71 21.911 -4.558 -5.980 1.00 12.26 H new ATOM 0 HA PHE B 71 22.701 -6.221 -8.107 1.00 14.11 H new ATOM 0 HB2 PHE B 71 21.678 -7.048 -6.048 1.00 14.48 H new ATOM 0 HB3 PHE B 71 20.205 -6.157 -6.376 1.00 14.48 H new ATOM 0 HD1 PHE B 71 22.309 -8.256 -8.672 1.00 12.87 H new ATOM 0 HD2 PHE B 71 18.530 -7.761 -6.706 1.00 15.19 H new ATOM 0 HE1 PHE B 71 21.412 -10.198 -9.912 1.00 12.65 H new ATOM 0 HE2 PHE B 71 17.630 -9.705 -7.942 1.00 14.91 H new ATOM 0 HZ PHE B 71 19.069 -10.925 -9.549 1.00 13.63 H new ATOM 858 N ASP B 72 20.016 -4.373 -8.634 1.00 17.70 N ATOM 859 CA ASP B 72 19.133 -3.858 -9.673 1.00 20.19 C ATOM 860 C ASP B 72 19.904 -2.969 -10.640 1.00 20.00 C ATOM 861 O ASP B 72 19.759 -3.086 -11.857 1.00 19.82 O ATOM 862 CB ASP B 72 17.979 -3.072 -9.048 1.00 21.35 C ATOM 863 CG ASP B 72 16.938 -2.663 -10.071 1.00 22.73 C ATOM 864 OD1 ASP B 72 17.263 -1.840 -10.953 1.00 22.48 O ATOM 865 OD2 ASP B 72 15.797 -3.163 -9.989 1.00 24.32 O ATOM 0 H ASP B 72 19.843 -3.989 -7.705 1.00 17.70 H new ATOM 0 HA ASP B 72 18.726 -4.704 -10.226 1.00 20.19 H new ATOM 0 HB2 ASP B 72 17.506 -3.678 -8.275 1.00 21.35 H new ATOM 0 HB3 ASP B 72 18.373 -2.181 -8.558 1.00 21.35 H new ATOM 870 N THR B 73 20.728 -2.080 -10.091 1.00 20.15 N ATOM 871 CA THR B 73 21.525 -1.173 -10.908 1.00 20.11 C ATOM 872 C THR B 73 22.358 -1.949 -11.923 1.00 21.68 C ATOM 873 O THR B 73 22.368 -1.624 -13.110 1.00 22.98 O ATOM 874 CB THR B 73 22.439 -0.324 -10.024 1.00 17.97 C ATOM 875 OG1 THR B 73 21.677 0.529 -9.187 1.00 18.62 O ATOM 876 CG2 THR B 73 23.398 0.543 -10.812 1.00 17.70 C ATOM 0 H THR B 73 20.860 -1.969 -9.086 1.00 20.15 H new ATOM 0 HA THR B 73 20.843 -0.516 -11.448 1.00 20.11 H new ATOM 0 HB THR B 73 23.018 -1.038 -9.438 1.00 17.97 H new ATOM 0 HG1 THR B 73 21.358 0.025 -8.410 1.00 18.62 H new ATOM 0 HG21 THR B 73 24.017 1.119 -10.124 1.00 17.70 H new ATOM 0 HG22 THR B 73 24.035 -0.089 -11.431 1.00 17.70 H new ATOM 0 HG23 THR B 73 22.833 1.224 -11.449 1.00 17.70 H new ATOM 884 N LEU B 74 23.056 -2.976 -11.448 1.00 21.66 N ATOM 885 CA LEU B 74 23.892 -3.799 -12.314 1.00 23.27 C ATOM 886 C LEU B 74 23.060 -4.446 -13.417 1.00 25.28 C ATOM 887 O LEU B 74 23.476 -4.499 -14.574 1.00 27.02 O ATOM 888 CB LEU B 74 24.605 -4.877 -11.496 1.00 23.15 C ATOM 889 CG LEU B 74 25.709 -4.362 -10.572 1.00 21.98 C ATOM 890 CD1 LEU B 74 26.089 -5.423 -9.552 1.00 22.83 C ATOM 891 CD2 LEU B 74 26.926 -3.941 -11.382 1.00 21.63 C ATOM 0 H LEU B 74 23.059 -3.258 -10.468 1.00 21.66 H new ATOM 0 HA LEU B 74 24.638 -3.154 -12.778 1.00 23.27 H new ATOM 0 HB2 LEU B 74 23.865 -5.404 -10.894 1.00 23.15 H new ATOM 0 HB3 LEU B 74 25.036 -5.606 -12.182 1.00 23.15 H new ATOM 0 HG LEU B 74 25.332 -3.491 -10.037 1.00 21.98 H new ATOM 0 HD11 LEU B 74 26.876 -5.039 -8.903 1.00 22.83 H new ATOM 0 HD12 LEU B 74 25.216 -5.679 -8.951 1.00 22.83 H new ATOM 0 HD13 LEU B 74 26.448 -6.313 -10.069 1.00 22.83 H new ATOM 0 HD21 LEU B 74 27.703 -3.577 -10.709 1.00 21.63 H new ATOM 0 HD22 LEU B 74 27.303 -4.796 -11.943 1.00 21.63 H new ATOM 0 HD23 LEU B 74 26.645 -3.148 -12.075 1.00 21.63 H new ATOM 903 N LYS B 75 21.879 -4.936 -13.050 1.00 25.16 N ATOM 904 CA LYS B 75 20.987 -5.579 -14.010 1.00 27.05 C ATOM 905 C LYS B 75 20.797 -4.704 -15.243 1.00 27.53 C ATOM 906 O LYS B 75 20.844 -5.186 -16.374 1.00 28.83 O ATOM 907 CB LYS B 75 19.632 -5.873 -13.363 1.00 27.17 C ATOM 908 CG LYS B 75 18.633 -6.518 -14.310 1.00 27.12 C ATOM 909 CD LYS B 75 18.151 -7.859 -13.782 1.00 26.94 C ATOM 910 CE LYS B 75 16.731 -8.158 -14.233 1.00 29.37 C ATOM 911 NZ LYS B 75 16.683 -8.634 -15.643 1.00 30.77 N ATOM 0 H LYS B 75 21.518 -4.900 -12.097 1.00 25.16 H new ATOM 0 HA LYS B 75 21.443 -6.519 -14.320 1.00 27.05 H new ATOM 0 HB2 LYS B 75 19.783 -6.529 -12.505 1.00 27.17 H new ATOM 0 HB3 LYS B 75 19.211 -4.942 -12.982 1.00 27.17 H new ATOM 0 HG2 LYS B 75 17.781 -5.853 -14.449 1.00 27.12 H new ATOM 0 HG3 LYS B 75 19.094 -6.655 -15.288 1.00 27.12 H new ATOM 0 HD2 LYS B 75 18.818 -8.649 -14.129 1.00 26.94 H new ATOM 0 HD3 LYS B 75 18.196 -7.860 -12.693 1.00 26.94 H new ATOM 0 HE2 LYS B 75 16.295 -8.914 -13.580 1.00 29.37 H new ATOM 0 HE3 LYS B 75 16.122 -7.260 -14.132 1.00 29.37 H new ATOM 0 HZ1 LYS B 75 15.697 -8.827 -15.911 1.00 30.77 H new ATOM 0 HZ2 LYS B 75 17.076 -7.903 -16.270 1.00 30.77 H new ATOM 0 HZ3 LYS B 75 17.243 -9.506 -15.734 1.00 30.77 H new ATOM 925 N ASP B 76 20.584 -3.414 -15.013 1.00 26.60 N ATOM 926 CA ASP B 76 20.389 -2.465 -16.100 1.00 27.16 C ATOM 927 C ASP B 76 21.718 -2.127 -16.767 1.00 27.25 C ATOM 928 O ASP B 76 21.760 -1.762 -17.942 1.00 28.41 O ATOM 929 CB ASP B 76 19.727 -1.189 -15.579 1.00 25.94 C ATOM 930 CG ASP B 76 18.430 -0.875 -16.298 1.00 26.84 C ATOM 931 OD1 ASP B 76 18.488 -0.275 -17.392 1.00 27.39 O ATOM 932 OD2 ASP B 76 17.357 -1.233 -15.769 1.00 27.18 O ATOM 0 H ASP B 76 20.542 -3.001 -14.081 1.00 26.60 H new ATOM 0 HA ASP B 76 19.736 -2.926 -16.841 1.00 27.16 H new ATOM 0 HB2 ASP B 76 19.531 -1.294 -14.512 1.00 25.94 H new ATOM 0 HB3 ASP B 76 20.416 -0.352 -15.696 1.00 25.94 H new ATOM 937 N LEU B 77 22.802 -2.252 -16.008 1.00 26.09 N ATOM 938 CA LEU B 77 24.134 -1.961 -16.521 1.00 26.05 C ATOM 939 C LEU B 77 24.540 -2.977 -17.584 1.00 27.50 C ATOM 940 O LEU B 77 25.227 -2.639 -18.550 1.00 27.86 O ATOM 941 CB LEU B 77 25.152 -1.968 -15.378 1.00 25.20 C ATOM 942 CG LEU B 77 25.255 -0.658 -14.595 1.00 25.54 C ATOM 943 CD1 LEU B 77 26.135 -0.837 -13.368 1.00 23.60 C ATOM 944 CD2 LEU B 77 25.795 0.452 -15.484 1.00 27.06 C ATOM 0 H LEU B 77 22.783 -2.554 -15.034 1.00 26.09 H new ATOM 0 HA LEU B 77 24.115 -0.972 -16.978 1.00 26.05 H new ATOM 0 HB2 LEU B 77 24.892 -2.768 -14.685 1.00 25.20 H new ATOM 0 HB3 LEU B 77 26.134 -2.207 -15.787 1.00 25.20 H new ATOM 0 HG LEU B 77 24.256 -0.376 -14.261 1.00 25.54 H new ATOM 0 HD11 LEU B 77 26.196 0.105 -12.824 1.00 23.60 H new ATOM 0 HD12 LEU B 77 25.706 -1.602 -12.721 1.00 23.60 H new ATOM 0 HD13 LEU B 77 27.134 -1.143 -13.678 1.00 23.60 H new ATOM 0 HD21 LEU B 77 25.862 1.377 -14.911 1.00 27.06 H new ATOM 0 HD22 LEU B 77 26.785 0.178 -15.847 1.00 27.06 H new ATOM 0 HD23 LEU B 77 25.125 0.598 -16.331 1.00 27.06 H new ATOM 956 N TYR B 78 24.112 -4.222 -17.401 1.00 28.36 N ATOM 957 CA TYR B 78 24.431 -5.287 -18.343 1.00 29.79 C ATOM 958 C TYR B 78 23.556 -5.191 -19.588 1.00 32.50 C ATOM 959 O TYR B 78 24.060 -5.063 -20.704 1.00 33.92 O ATOM 960 CB TYR B 78 24.250 -6.653 -17.678 1.00 28.97 C ATOM 961 CG TYR B 78 25.447 -7.095 -16.868 1.00 27.68 C ATOM 962 CD1 TYR B 78 26.683 -7.347 -17.487 1.00 26.16 C ATOM 963 CD2 TYR B 78 25.354 -7.264 -15.475 1.00 28.02 C ATOM 964 CE1 TYR B 78 27.793 -7.757 -16.742 1.00 25.05 C ATOM 965 CE2 TYR B 78 26.459 -7.673 -14.724 1.00 26.87 C ATOM 966 CZ TYR B 78 27.675 -7.918 -15.361 1.00 25.41 C ATOM 967 OH TYR B 78 28.765 -8.319 -14.624 1.00 24.37 O ATOM 0 H TYR B 78 23.543 -4.518 -16.608 1.00 28.36 H new ATOM 0 HA TYR B 78 25.472 -5.174 -18.645 1.00 29.79 H new ATOM 0 HB2 TYR B 78 23.375 -6.619 -17.029 1.00 28.97 H new ATOM 0 HB3 TYR B 78 24.047 -7.398 -18.447 1.00 28.97 H new ATOM 0 HD1 TYR B 78 26.777 -7.222 -18.556 1.00 26.16 H new ATOM 0 HD2 TYR B 78 24.414 -7.075 -14.978 1.00 28.02 H new ATOM 0 HE1 TYR B 78 28.736 -7.948 -17.233 1.00 25.05 H new ATOM 0 HE2 TYR B 78 26.372 -7.799 -13.655 1.00 26.87 H new ATOM 0 HH TYR B 78 28.704 -7.945 -13.720 1.00 24.37 H new ATOM 977 N LYS B 79 22.243 -5.254 -19.392 1.00 33.36 N ATOM 978 CA LYS B 79 21.301 -5.172 -20.503 1.00 35.95 C ATOM 979 C LYS B 79 21.563 -3.927 -21.342 1.00 37.48 C ATOM 980 O LYS B 79 21.308 -3.913 -22.547 1.00 39.03 O ATOM 981 CB LYS B 79 19.863 -5.158 -19.982 1.00 36.87 C ATOM 982 CG LYS B 79 19.566 -3.999 -19.046 1.00 35.98 C ATOM 983 CD LYS B 79 18.938 -2.831 -19.790 1.00 37.94 C ATOM 984 CE LYS B 79 17.466 -3.079 -20.078 1.00 39.54 C ATOM 985 NZ LYS B 79 16.858 -1.969 -20.861 1.00 41.66 N ATOM 0 H LYS B 79 21.807 -5.361 -18.476 1.00 33.36 H new ATOM 0 HA LYS B 79 21.441 -6.051 -21.133 1.00 35.95 H new ATOM 0 HB2 LYS B 79 19.179 -5.114 -20.829 1.00 36.87 H new ATOM 0 HB3 LYS B 79 19.665 -6.095 -19.461 1.00 36.87 H new ATOM 0 HG2 LYS B 79 18.894 -4.332 -18.255 1.00 35.98 H new ATOM 0 HG3 LYS B 79 20.488 -3.672 -18.565 1.00 35.98 H new ATOM 0 HD2 LYS B 79 19.046 -1.922 -19.199 1.00 37.94 H new ATOM 0 HD3 LYS B 79 19.470 -2.667 -20.727 1.00 37.94 H new ATOM 0 HE2 LYS B 79 17.356 -4.014 -20.628 1.00 39.54 H new ATOM 0 HE3 LYS B 79 16.927 -3.197 -19.138 1.00 39.54 H new ATOM 0 HZ1 LYS B 79 15.854 -2.177 -21.036 1.00 41.66 H new ATOM 0 HZ2 LYS B 79 16.939 -1.081 -20.325 1.00 41.66 H new ATOM 0 HZ3 LYS B 79 17.355 -1.872 -21.769 1.00 41.66 H new ATOM 1103 N ALA C 55 26.158 13.523 18.428 1.00 30.56 N ATOM 1104 CA ALA C 55 25.800 12.195 17.950 1.00 28.32 C ATOM 1105 C ALA C 55 25.143 12.280 16.579 1.00 26.34 C ATOM 1106 O ALA C 55 25.426 11.476 15.691 1.00 25.08 O ATOM 1107 CB ALA C 55 24.878 11.505 18.944 1.00 27.24 C ATOM 0 HA ALA C 55 26.711 11.603 17.856 1.00 28.32 H new ATOM 0 HB1 ALA C 55 24.619 10.513 18.573 1.00 27.24 H new ATOM 0 HB2 ALA C 55 25.384 11.412 19.905 1.00 27.24 H new ATOM 0 HB3 ALA C 55 23.970 12.095 19.067 1.00 27.24 H new ATOM 1113 N GLU C 56 24.268 13.269 16.409 1.00 26.26 N ATOM 1114 CA GLU C 56 23.580 13.466 15.140 1.00 24.66 C ATOM 1115 C GLU C 56 24.571 13.871 14.058 1.00 25.35 C ATOM 1116 O GLU C 56 24.608 13.280 12.979 1.00 25.36 O ATOM 1117 CB GLU C 56 22.492 14.533 15.282 1.00 25.12 C ATOM 1118 CG GLU C 56 21.735 14.805 13.992 1.00 25.52 C ATOM 1119 CD GLU C 56 20.392 15.467 14.233 1.00 26.03 C ATOM 1120 OE1 GLU C 56 20.183 15.999 15.344 1.00 26.96 O ATOM 1121 OE2 GLU C 56 19.548 15.454 13.312 1.00 25.66 O ATOM 0 H GLU C 56 24.021 13.943 17.133 1.00 26.26 H new ATOM 0 HA GLU C 56 23.111 12.525 14.852 1.00 24.66 H new ATOM 0 HB2 GLU C 56 21.785 14.219 16.049 1.00 25.12 H new ATOM 0 HB3 GLU C 56 22.947 15.461 15.629 1.00 25.12 H new ATOM 0 HG2 GLU C 56 22.340 15.443 13.348 1.00 25.52 H new ATOM 0 HG3 GLU C 56 21.583 13.866 13.459 1.00 25.52 H new ATOM 1128 N ARG C 57 25.385 14.876 14.361 1.00 26.02 N ATOM 1129 CA ARG C 57 26.391 15.352 13.421 1.00 26.74 C ATOM 1130 C ARG C 57 27.381 14.240 13.107 1.00 27.17 C ATOM 1131 O ARG C 57 27.703 13.985 11.946 1.00 27.71 O ATOM 1132 CB ARG C 57 27.130 16.561 13.996 1.00 26.94 C ATOM 1133 CG ARG C 57 26.719 17.884 13.369 1.00 25.57 C ATOM 1134 CD ARG C 57 27.653 19.011 13.782 1.00 25.85 C ATOM 1135 NE ARG C 57 28.084 18.885 15.174 1.00 26.20 N ATOM 1136 CZ ARG C 57 29.171 18.218 15.563 1.00 25.72 C ATOM 1137 NH1 ARG C 57 29.948 17.610 14.675 1.00 24.82 N ATOM 1138 NH2 ARG C 57 29.479 18.156 16.851 1.00 26.20 N ATOM 0 H ARG C 57 25.367 15.376 15.250 1.00 26.02 H new ATOM 0 HA ARG C 57 25.890 15.653 12.501 1.00 26.74 H new ATOM 0 HB2 ARG C 57 26.952 16.607 15.070 1.00 26.94 H new ATOM 0 HB3 ARG C 57 28.202 16.420 13.857 1.00 26.94 H new ATOM 0 HG2 ARG C 57 26.720 17.789 12.283 1.00 25.57 H new ATOM 0 HG3 ARG C 57 25.699 18.128 13.667 1.00 25.57 H new ATOM 0 HD2 ARG C 57 28.527 19.014 13.131 1.00 25.85 H new ATOM 0 HD3 ARG C 57 27.149 19.968 13.644 1.00 25.85 H new ATOM 0 HE ARG C 57 27.517 19.336 15.892 1.00 26.20 H new ATOM 0 HH11 ARG C 57 29.716 17.650 13.682 1.00 24.82 H new ATOM 0 HH12 ARG C 57 30.777 17.103 14.985 1.00 24.82 H new ATOM 0 HH21 ARG C 57 28.885 18.618 17.540 1.00 26.20 H new ATOM 0 HH22 ARG C 57 30.310 17.647 17.153 1.00 26.20 H new ATOM 1152 N LEU C 58 27.854 13.577 14.155 1.00 26.94 N ATOM 1153 CA LEU C 58 28.803 12.480 14.005 1.00 27.33 C ATOM 1154 C LEU C 58 28.286 11.458 13.000 1.00 24.99 C ATOM 1155 O LEU C 58 28.987 11.085 12.060 1.00 23.73 O ATOM 1156 CB LEU C 58 29.050 11.800 15.354 1.00 28.11 C ATOM 1157 CG LEU C 58 30.308 12.260 16.092 1.00 28.63 C ATOM 1158 CD1 LEU C 58 30.360 11.657 17.486 1.00 28.08 C ATOM 1159 CD2 LEU C 58 31.552 11.885 15.304 1.00 29.40 C ATOM 0 H LEU C 58 27.595 13.780 15.120 1.00 26.94 H new ATOM 0 HA LEU C 58 29.743 12.891 13.637 1.00 27.33 H new ATOM 0 HB2 LEU C 58 28.187 11.976 15.995 1.00 28.11 H new ATOM 0 HB3 LEU C 58 29.114 10.724 15.194 1.00 28.11 H new ATOM 0 HG LEU C 58 30.273 13.345 16.188 1.00 28.63 H new ATOM 0 HD11 LEU C 58 31.262 11.996 17.996 1.00 28.08 H new ATOM 0 HD12 LEU C 58 29.483 11.972 18.052 1.00 28.08 H new ATOM 0 HD13 LEU C 58 30.372 10.570 17.412 1.00 28.08 H new ATOM 0 HD21 LEU C 58 32.439 12.219 15.843 1.00 29.40 H new ATOM 0 HD22 LEU C 58 31.591 10.803 15.178 1.00 29.40 H new ATOM 0 HD23 LEU C 58 31.520 12.363 14.325 1.00 29.40 H new ATOM 1171 N ALA C 59 27.050 11.008 13.205 1.00 24.56 N ATOM 1172 CA ALA C 59 26.434 10.030 12.317 1.00 22.42 C ATOM 1173 C ALA C 59 26.566 10.461 10.861 1.00 21.86 C ATOM 1174 O ALA C 59 26.805 9.639 9.978 1.00 21.50 O ATOM 1175 CB ALA C 59 24.971 9.833 12.684 1.00 20.34 C ATOM 0 H ALA C 59 26.457 11.306 13.979 1.00 24.56 H new ATOM 0 HA ALA C 59 26.955 9.080 12.438 1.00 22.42 H new ATOM 0 HB1 ALA C 59 24.523 9.100 12.013 1.00 20.34 H new ATOM 0 HB2 ALA C 59 24.898 9.476 13.711 1.00 20.34 H new ATOM 0 HB3 ALA C 59 24.442 10.781 12.591 1.00 20.34 H new ATOM 1181 N ASP C 60 26.414 11.759 10.622 1.00 22.22 N ATOM 1182 CA ASP C 60 26.522 12.304 9.275 1.00 22.29 C ATOM 1183 C ASP C 60 27.965 12.238 8.787 1.00 21.96 C ATOM 1184 O ASP C 60 28.223 12.157 7.586 1.00 22.10 O ATOM 1185 CB ASP C 60 26.024 13.750 9.245 1.00 24.29 C ATOM 1186 CG ASP C 60 26.148 14.375 7.868 1.00 25.55 C ATOM 1187 OD1 ASP C 60 27.232 14.910 7.556 1.00 27.21 O ATOM 1188 OD2 ASP C 60 25.161 14.329 7.105 1.00 24.90 O ATOM 0 H ASP C 60 26.216 12.452 11.343 1.00 22.22 H new ATOM 0 HA ASP C 60 25.901 11.704 8.610 1.00 22.29 H new ATOM 0 HB2 ASP C 60 24.981 13.779 9.562 1.00 24.29 H new ATOM 0 HB3 ASP C 60 26.592 14.342 9.963 1.00 24.29 H new ATOM 1193 N GLU C 61 28.902 12.271 9.730 1.00 21.77 N ATOM 1194 CA GLU C 61 30.321 12.210 9.400 1.00 21.47 C ATOM 1195 C GLU C 61 30.732 10.784 9.059 1.00 19.74 C ATOM 1196 O GLU C 61 31.352 10.534 8.026 1.00 19.40 O ATOM 1197 CB GLU C 61 31.161 12.732 10.566 1.00 22.42 C ATOM 1198 CG GLU C 61 32.401 13.494 10.130 1.00 24.12 C ATOM 1199 CD GLU C 61 33.125 14.145 11.293 1.00 25.95 C ATOM 1200 OE1 GLU C 61 32.643 14.016 12.438 1.00 26.53 O ATOM 1201 OE2 GLU C 61 34.174 14.782 11.058 1.00 27.01 O ATOM 0 H GLU C 61 28.704 12.340 10.728 1.00 21.77 H new ATOM 0 HA GLU C 61 30.496 12.840 8.528 1.00 21.47 H new ATOM 0 HB2 GLU C 61 30.544 13.383 11.185 1.00 22.42 H new ATOM 0 HB3 GLU C 61 31.463 11.891 11.191 1.00 22.42 H new ATOM 0 HG2 GLU C 61 33.081 12.812 9.619 1.00 24.12 H new ATOM 0 HG3 GLU C 61 32.117 14.260 9.409 1.00 24.12 H new ATOM 1208 N GLN C 62 30.377 9.852 9.936 1.00 19.09 N ATOM 1209 CA GLN C 62 30.700 8.447 9.730 1.00 17.90 C ATOM 1210 C GLN C 62 30.067 7.934 8.442 1.00 17.01 C ATOM 1211 O GLN C 62 30.702 7.219 7.667 1.00 17.38 O ATOM 1212 CB GLN C 62 30.221 7.610 10.919 1.00 16.19 C ATOM 1213 CG GLN C 62 30.478 8.259 12.271 1.00 16.58 C ATOM 1214 CD GLN C 62 31.891 8.791 12.410 1.00 16.67 C ATOM 1215 OE1 GLN C 62 32.412 9.452 11.513 1.00 16.08 O ATOM 1216 NE2 GLN C 62 32.521 8.504 13.545 1.00 17.54 N ATOM 0 H GLN C 62 29.865 10.045 10.797 1.00 19.09 H new ATOM 0 HA GLN C 62 31.783 8.354 9.647 1.00 17.90 H new ATOM 0 HB2 GLN C 62 29.152 7.424 10.813 1.00 16.19 H new ATOM 0 HB3 GLN C 62 30.718 6.640 10.892 1.00 16.19 H new ATOM 0 HG2 GLN C 62 29.771 9.076 12.417 1.00 16.58 H new ATOM 0 HG3 GLN C 62 30.290 7.531 13.060 1.00 16.58 H new ATOM 0 HE21 GLN C 62 32.052 7.953 14.263 1.00 17.54 H new ATOM 0 HE22 GLN C 62 33.474 8.835 13.697 1.00 17.54 H new ATOM 1225 N SER C 63 28.812 8.310 8.219 1.00 16.14 N ATOM 1226 CA SER C 63 28.092 7.894 7.021 1.00 15.27 C ATOM 1227 C SER C 63 28.799 8.401 5.769 1.00 14.23 C ATOM 1228 O SER C 63 28.853 7.710 4.751 1.00 13.29 O ATOM 1229 CB SER C 63 26.655 8.415 7.057 1.00 15.17 C ATOM 1230 OG SER C 63 26.624 9.825 7.195 1.00 14.88 O ATOM 0 H SER C 63 28.273 8.901 8.851 1.00 16.14 H new ATOM 0 HA SER C 63 28.072 6.805 6.994 1.00 15.27 H new ATOM 0 HB2 SER C 63 26.137 8.125 6.143 1.00 15.17 H new ATOM 0 HB3 SER C 63 26.119 7.954 7.887 1.00 15.17 H new ATOM 0 HG SER C 63 26.740 10.064 8.138 1.00 14.88 H new ATOM 1236 N GLU C 64 29.343 9.611 5.852 1.00 14.45 N ATOM 1237 CA GLU C 64 30.052 10.209 4.727 1.00 13.59 C ATOM 1238 C GLU C 64 31.213 9.322 4.292 1.00 13.07 C ATOM 1239 O GLU C 64 31.437 9.115 3.098 1.00 12.03 O ATOM 1240 CB GLU C 64 30.566 11.602 5.098 1.00 14.05 C ATOM 1241 CG GLU C 64 29.745 12.732 4.498 1.00 13.95 C ATOM 1242 CD GLU C 64 30.213 13.120 3.109 1.00 15.16 C ATOM 1243 OE1 GLU C 64 31.418 12.957 2.821 1.00 15.79 O ATOM 1244 OE2 GLU C 64 29.376 13.588 2.309 1.00 15.71 O ATOM 0 H GLU C 64 29.306 10.196 6.687 1.00 14.45 H new ATOM 0 HA GLU C 64 29.354 10.302 3.895 1.00 13.59 H new ATOM 0 HB2 GLU C 64 30.569 11.702 6.183 1.00 14.05 H new ATOM 0 HB3 GLU C 64 31.600 11.699 4.766 1.00 14.05 H new ATOM 0 HG2 GLU C 64 28.698 12.432 4.454 1.00 13.95 H new ATOM 0 HG3 GLU C 64 29.799 13.602 5.152 1.00 13.95 H new ATOM 1251 N LEU C 65 31.946 8.795 5.268 1.00 14.11 N ATOM 1252 CA LEU C 65 33.081 7.924 4.985 1.00 13.73 C ATOM 1253 C LEU C 65 32.629 6.694 4.207 1.00 12.22 C ATOM 1254 O LEU C 65 33.312 6.243 3.286 1.00 13.37 O ATOM 1255 CB LEU C 65 33.765 7.501 6.287 1.00 13.67 C ATOM 1256 CG LEU C 65 34.190 8.654 7.197 1.00 15.42 C ATOM 1257 CD1 LEU C 65 34.185 8.215 8.653 1.00 16.37 C ATOM 1258 CD2 LEU C 65 35.565 9.167 6.798 1.00 17.74 C ATOM 0 H LEU C 65 31.774 8.956 6.261 1.00 14.11 H new ATOM 0 HA LEU C 65 33.796 8.478 4.377 1.00 13.73 H new ATOM 0 HB2 LEU C 65 33.088 6.851 6.841 1.00 13.67 H new ATOM 0 HB3 LEU C 65 34.646 6.908 6.041 1.00 13.67 H new ATOM 0 HG LEU C 65 33.473 9.466 7.082 1.00 15.42 H new ATOM 0 HD11 LEU C 65 34.490 9.049 9.285 1.00 16.37 H new ATOM 0 HD12 LEU C 65 33.181 7.895 8.933 1.00 16.37 H new ATOM 0 HD13 LEU C 65 34.880 7.386 8.785 1.00 16.37 H new ATOM 0 HD21 LEU C 65 35.852 9.987 7.456 1.00 17.74 H new ATOM 0 HD22 LEU C 65 36.293 8.361 6.884 1.00 17.74 H new ATOM 0 HD23 LEU C 65 35.536 9.521 5.768 1.00 17.74 H new ATOM 1270 N VAL C 66 31.471 6.159 4.579 1.00 9.93 N ATOM 1271 CA VAL C 66 30.921 4.986 3.912 1.00 8.65 C ATOM 1272 C VAL C 66 30.543 5.310 2.473 1.00 8.51 C ATOM 1273 O VAL C 66 30.821 4.536 1.556 1.00 9.73 O ATOM 1274 CB VAL C 66 29.678 4.452 4.648 1.00 8.59 C ATOM 1275 CG1 VAL C 66 29.250 3.111 4.073 1.00 8.30 C ATOM 1276 CG2 VAL C 66 29.949 4.340 6.141 1.00 9.06 C ATOM 0 H VAL C 66 30.895 6.520 5.340 1.00 9.93 H new ATOM 0 HA VAL C 66 31.696 4.219 3.923 1.00 8.65 H new ATOM 0 HB VAL C 66 28.861 5.159 4.503 1.00 8.59 H new ATOM 0 HG11 VAL C 66 28.370 2.751 4.606 1.00 8.30 H new ATOM 0 HG12 VAL C 66 29.011 3.228 3.016 1.00 8.30 H new ATOM 0 HG13 VAL C 66 30.062 2.392 4.184 1.00 8.30 H new ATOM 0 HG21 VAL C 66 29.060 3.961 6.645 1.00 9.06 H new ATOM 0 HG22 VAL C 66 30.781 3.656 6.310 1.00 9.06 H new ATOM 0 HG23 VAL C 66 30.201 5.323 6.540 1.00 9.06 H new ATOM 1286 N LYS C 67 29.908 6.461 2.281 1.00 7.71 N ATOM 1287 CA LYS C 67 29.489 6.897 0.955 1.00 8.79 C ATOM 1288 C LYS C 67 30.686 6.981 0.012 1.00 10.35 C ATOM 1289 O LYS C 67 30.622 6.525 -1.129 1.00 11.48 O ATOM 1290 CB LYS C 67 28.785 8.255 1.045 1.00 10.70 C ATOM 1291 CG LYS C 67 28.569 8.930 -0.301 1.00 11.62 C ATOM 1292 CD LYS C 67 27.371 9.864 -0.271 1.00 13.06 C ATOM 1293 CE LYS C 67 27.381 10.821 -1.453 1.00 15.70 C ATOM 1294 NZ LYS C 67 26.115 11.602 -1.545 1.00 16.97 N ATOM 0 H LYS C 67 29.672 7.111 3.031 1.00 7.71 H new ATOM 0 HA LYS C 67 28.789 6.163 0.554 1.00 8.79 H new ATOM 0 HB2 LYS C 67 27.819 8.120 1.532 1.00 10.70 H new ATOM 0 HB3 LYS C 67 29.373 8.916 1.681 1.00 10.70 H new ATOM 0 HG2 LYS C 67 29.462 9.491 -0.575 1.00 11.62 H new ATOM 0 HG3 LYS C 67 28.421 8.172 -1.070 1.00 11.62 H new ATOM 0 HD2 LYS C 67 26.452 9.279 -0.283 1.00 13.06 H new ATOM 0 HD3 LYS C 67 27.375 10.433 0.659 1.00 13.06 H new ATOM 0 HE2 LYS C 67 28.224 11.505 -1.359 1.00 15.70 H new ATOM 0 HE3 LYS C 67 27.528 10.258 -2.375 1.00 15.70 H new ATOM 0 HZ1 LYS C 67 26.161 12.243 -2.363 1.00 16.97 H new ATOM 0 HZ2 LYS C 67 25.313 10.950 -1.660 1.00 16.97 H new ATOM 0 HZ3 LYS C 67 25.987 12.159 -0.676 1.00 16.97 H new ATOM 1308 N LYS C 68 31.774 7.568 0.496 1.00 10.60 N ATOM 1309 CA LYS C 68 32.982 7.710 -0.308 1.00 12.17 C ATOM 1310 C LYS C 68 33.504 6.345 -0.741 1.00 10.56 C ATOM 1311 O LYS C 68 33.978 6.178 -1.866 1.00 11.05 O ATOM 1312 CB LYS C 68 34.061 8.457 0.479 1.00 14.62 C ATOM 1313 CG LYS C 68 33.862 9.965 0.507 1.00 16.41 C ATOM 1314 CD LYS C 68 34.258 10.555 1.851 1.00 17.80 C ATOM 1315 CE LYS C 68 35.651 11.163 1.804 1.00 20.00 C ATOM 1316 NZ LYS C 68 35.681 12.530 2.391 1.00 22.42 N ATOM 0 H LYS C 68 31.845 7.952 1.438 1.00 10.60 H new ATOM 0 HA LYS C 68 32.732 8.286 -1.199 1.00 12.17 H new ATOM 0 HB2 LYS C 68 34.077 8.082 1.502 1.00 14.62 H new ATOM 0 HB3 LYS C 68 35.035 8.236 0.043 1.00 14.62 H new ATOM 0 HG2 LYS C 68 34.455 10.426 -0.283 1.00 16.41 H new ATOM 0 HG3 LYS C 68 32.818 10.199 0.299 1.00 16.41 H new ATOM 0 HD2 LYS C 68 33.536 11.318 2.141 1.00 17.80 H new ATOM 0 HD3 LYS C 68 34.225 9.778 2.615 1.00 17.80 H new ATOM 0 HE2 LYS C 68 36.346 10.521 2.345 1.00 20.00 H new ATOM 0 HE3 LYS C 68 35.994 11.204 0.770 1.00 20.00 H new ATOM 0 HZ1 LYS C 68 36.648 12.909 2.340 1.00 22.42 H new ATOM 0 HZ2 LYS C 68 35.037 13.150 1.859 1.00 22.42 H new ATOM 0 HZ3 LYS C 68 35.378 12.488 3.385 1.00 22.42 H new ATOM 1330 N MET C 69 33.408 5.370 0.156 1.00 8.85 N ATOM 1331 CA MET C 69 33.865 4.018 -0.133 1.00 7.52 C ATOM 1332 C MET C 69 32.998 3.374 -1.210 1.00 5.29 C ATOM 1333 O MET C 69 33.506 2.745 -2.138 1.00 4.85 O ATOM 1334 CB MET C 69 33.841 3.166 1.137 1.00 7.19 C ATOM 1335 CG MET C 69 34.457 1.788 0.959 1.00 6.23 C ATOM 1336 SD MET C 69 34.445 0.820 2.481 1.00 7.80 S ATOM 1337 CE MET C 69 32.693 0.796 2.855 1.00 8.48 C ATOM 0 H MET C 69 33.017 5.492 1.090 1.00 8.85 H new ATOM 0 HA MET C 69 34.889 4.076 -0.501 1.00 7.52 H new ATOM 0 HB2 MET C 69 34.374 3.693 1.928 1.00 7.19 H new ATOM 0 HB3 MET C 69 32.809 3.053 1.469 1.00 7.19 H new ATOM 0 HG2 MET C 69 33.912 1.248 0.185 1.00 6.23 H new ATOM 0 HG3 MET C 69 35.484 1.896 0.609 1.00 6.23 H new ATOM 0 HE1 MET C 69 32.450 -0.116 3.401 1.00 8.48 H new ATOM 0 HE2 MET C 69 32.439 1.663 3.465 1.00 8.48 H new ATOM 0 HE3 MET C 69 32.122 0.826 1.927 1.00 8.48 H new ATOM 1347 N VAL C 70 31.685 3.537 -1.078 1.00 5.02 N ATOM 1348 CA VAL C 70 30.743 2.977 -2.035 1.00 4.20 C ATOM 1349 C VAL C 70 30.800 3.724 -3.364 1.00 5.90 C ATOM 1350 O VAL C 70 30.750 3.113 -4.431 1.00 6.41 O ATOM 1351 CB VAL C 70 29.301 3.000 -1.479 1.00 4.31 C ATOM 1352 CG1 VAL C 70 28.282 2.609 -2.544 1.00 3.61 C ATOM 1353 CG2 VAL C 70 29.193 2.075 -0.281 1.00 3.93 C ATOM 0 H VAL C 70 31.250 4.055 -0.314 1.00 5.02 H new ATOM 0 HA VAL C 70 31.032 1.940 -2.206 1.00 4.20 H new ATOM 0 HB VAL C 70 29.077 4.020 -1.168 1.00 4.31 H new ATOM 0 HG11 VAL C 70 27.280 2.637 -2.116 1.00 3.61 H new ATOM 0 HG12 VAL C 70 28.340 3.309 -3.378 1.00 3.61 H new ATOM 0 HG13 VAL C 70 28.497 1.602 -2.901 1.00 3.61 H new ATOM 0 HG21 VAL C 70 28.174 2.097 0.105 1.00 3.93 H new ATOM 0 HG22 VAL C 70 29.445 1.058 -0.582 1.00 3.93 H new ATOM 0 HG23 VAL C 70 29.882 2.404 0.496 1.00 3.93 H new ATOM 1363 N PHE C 71 30.908 5.048 -3.298 1.00 7.64 N ATOM 1364 CA PHE C 71 30.977 5.854 -4.507 1.00 9.88 C ATOM 1365 C PHE C 71 32.141 5.399 -5.378 1.00 9.48 C ATOM 1366 O PHE C 71 31.951 5.012 -6.529 1.00 10.53 O ATOM 1367 CB PHE C 71 31.125 7.338 -4.165 1.00 12.31 C ATOM 1368 CG PHE C 71 31.369 8.201 -5.370 1.00 13.92 C ATOM 1369 CD1 PHE C 71 30.430 8.254 -6.410 1.00 15.59 C ATOM 1370 CD2 PHE C 71 32.542 8.958 -5.480 1.00 14.14 C ATOM 1371 CE1 PHE C 71 30.657 9.046 -7.537 1.00 17.25 C ATOM 1372 CE2 PHE C 71 32.775 9.755 -6.604 1.00 15.95 C ATOM 1373 CZ PHE C 71 31.831 9.798 -7.634 1.00 17.41 C ATOM 0 H PHE C 71 30.949 5.579 -2.428 1.00 7.64 H new ATOM 0 HA PHE C 71 30.047 5.720 -5.059 1.00 9.88 H new ATOM 0 HB2 PHE C 71 30.222 7.679 -3.658 1.00 12.31 H new ATOM 0 HB3 PHE C 71 31.950 7.462 -3.464 1.00 12.31 H new ATOM 0 HD1 PHE C 71 29.521 7.676 -6.338 1.00 15.59 H new ATOM 0 HD2 PHE C 71 33.275 8.925 -4.687 1.00 14.14 H new ATOM 0 HE1 PHE C 71 29.927 9.078 -8.332 1.00 17.25 H new ATOM 0 HE2 PHE C 71 33.682 10.336 -6.677 1.00 15.95 H new ATOM 0 HZ PHE C 71 32.009 10.412 -8.504 1.00 17.41 H new ATOM 1383 N ASP C 72 33.345 5.443 -4.818 1.00 8.45 N ATOM 1384 CA ASP C 72 34.537 5.027 -5.545 1.00 8.02 C ATOM 1385 C ASP C 72 34.361 3.618 -6.098 1.00 6.69 C ATOM 1386 O ASP C 72 34.694 3.346 -7.251 1.00 6.49 O ATOM 1387 CB ASP C 72 35.763 5.083 -4.633 1.00 7.20 C ATOM 1388 CG ASP C 72 36.631 6.295 -4.909 1.00 9.50 C ATOM 1389 OD1 ASP C 72 36.206 7.161 -5.702 1.00 11.50 O ATOM 1390 OD2 ASP C 72 37.737 6.377 -4.334 1.00 9.58 O ATOM 0 H ASP C 72 33.520 5.762 -3.865 1.00 8.45 H new ATOM 0 HA ASP C 72 34.687 5.713 -6.379 1.00 8.02 H new ATOM 0 HB2 ASP C 72 35.439 5.101 -3.593 1.00 7.20 H new ATOM 0 HB3 ASP C 72 36.354 4.177 -4.767 1.00 7.20 H new ATOM 1395 N THR C 73 33.829 2.725 -5.268 1.00 6.82 N ATOM 1396 CA THR C 73 33.601 1.346 -5.679 1.00 7.31 C ATOM 1397 C THR C 73 32.573 1.292 -6.803 1.00 10.33 C ATOM 1398 O THR C 73 32.905 0.981 -7.947 1.00 11.54 O ATOM 1399 CB THR C 73 33.128 0.501 -4.488 1.00 6.53 C ATOM 1400 OG1 THR C 73 34.180 0.310 -3.560 1.00 6.51 O ATOM 1401 CG2 THR C 73 32.610 -0.870 -4.881 1.00 7.63 C ATOM 0 H THR C 73 33.549 2.932 -4.309 1.00 6.82 H new ATOM 0 HA THR C 73 34.542 0.935 -6.044 1.00 7.31 H new ATOM 0 HB THR C 73 32.306 1.066 -4.049 1.00 6.53 H new ATOM 0 HG1 THR C 73 34.195 1.056 -2.924 1.00 6.51 H new ATOM 0 HG21 THR C 73 32.294 -1.409 -3.988 1.00 7.63 H new ATOM 0 HG22 THR C 73 31.762 -0.759 -5.557 1.00 7.63 H new ATOM 0 HG23 THR C 73 33.401 -1.428 -5.381 1.00 7.63 H new ATOM 1409 N LEU C 74 31.323 1.595 -6.468 1.00 11.70 N ATOM 1410 CA LEU C 74 30.248 1.579 -7.452 1.00 14.59 C ATOM 1411 C LEU C 74 30.627 2.383 -8.691 1.00 16.21 C ATOM 1412 O LEU C 74 30.310 1.994 -9.815 1.00 18.47 O ATOM 1413 CB LEU C 74 28.957 2.127 -6.842 1.00 15.35 C ATOM 1414 CG LEU C 74 28.317 1.247 -5.762 1.00 15.54 C ATOM 1415 CD1 LEU C 74 26.852 1.610 -5.582 1.00 17.94 C ATOM 1416 CD2 LEU C 74 28.461 -0.230 -6.108 1.00 15.55 C ATOM 0 H LEU C 74 31.031 1.854 -5.526 1.00 11.70 H new ATOM 0 HA LEU C 74 30.084 0.544 -7.754 1.00 14.59 H new ATOM 0 HB2 LEU C 74 29.165 3.107 -6.413 1.00 15.35 H new ATOM 0 HB3 LEU C 74 28.232 2.277 -7.642 1.00 15.35 H new ATOM 0 HG LEU C 74 28.839 1.428 -4.822 1.00 15.54 H new ATOM 0 HD11 LEU C 74 26.412 0.976 -4.812 1.00 17.94 H new ATOM 0 HD12 LEU C 74 26.770 2.655 -5.283 1.00 17.94 H new ATOM 0 HD13 LEU C 74 26.322 1.459 -6.522 1.00 17.94 H new ATOM 0 HD21 LEU C 74 27.999 -0.833 -5.327 1.00 15.55 H new ATOM 0 HD22 LEU C 74 27.969 -0.430 -7.060 1.00 15.55 H new ATOM 0 HD23 LEU C 74 29.518 -0.484 -6.185 1.00 15.55 H new ATOM 1428 N LYS C 75 31.310 3.500 -8.480 1.00 15.43 N ATOM 1429 CA LYS C 75 31.738 4.351 -9.584 1.00 17.42 C ATOM 1430 C LYS C 75 32.502 3.535 -10.617 1.00 17.45 C ATOM 1431 O LYS C 75 32.022 3.304 -11.726 1.00 19.42 O ATOM 1432 CB LYS C 75 32.621 5.490 -9.069 1.00 17.30 C ATOM 1433 CG LYS C 75 33.240 6.329 -10.175 1.00 17.39 C ATOM 1434 CD LYS C 75 33.200 7.811 -9.840 1.00 18.32 C ATOM 1435 CE LYS C 75 34.464 8.258 -9.126 1.00 19.25 C ATOM 1436 NZ LYS C 75 35.682 8.028 -9.953 1.00 20.05 N ATOM 0 H LYS C 75 31.580 3.838 -7.556 1.00 15.43 H new ATOM 0 HA LYS C 75 30.850 4.775 -10.053 1.00 17.42 H new ATOM 0 HB2 LYS C 75 32.026 6.136 -8.424 1.00 17.30 H new ATOM 0 HB3 LYS C 75 33.417 5.071 -8.453 1.00 17.30 H new ATOM 0 HG2 LYS C 75 34.273 6.019 -10.334 1.00 17.39 H new ATOM 0 HG3 LYS C 75 32.707 6.152 -11.109 1.00 17.39 H new ATOM 0 HD2 LYS C 75 33.076 8.388 -10.756 1.00 18.32 H new ATOM 0 HD3 LYS C 75 32.334 8.019 -9.212 1.00 18.32 H new ATOM 0 HE2 LYS C 75 34.387 9.317 -8.881 1.00 19.25 H new ATOM 0 HE3 LYS C 75 34.558 7.719 -8.184 1.00 19.25 H new ATOM 0 HZ1 LYS C 75 36.424 8.701 -9.673 1.00 20.05 H new ATOM 0 HZ2 LYS C 75 36.023 7.056 -9.807 1.00 20.05 H new ATOM 0 HZ3 LYS C 75 35.451 8.166 -10.958 1.00 20.05 H new ATOM 1450 N ASP C 76 33.698 3.102 -10.238 1.00 15.27 N ATOM 1451 CA ASP C 76 34.543 2.310 -11.120 1.00 15.06 C ATOM 1452 C ASP C 76 33.889 0.972 -11.455 1.00 15.39 C ATOM 1453 O ASP C 76 34.133 0.402 -12.518 1.00 16.32 O ATOM 1454 CB ASP C 76 35.908 2.072 -10.474 1.00 12.57 C ATOM 1455 CG ASP C 76 37.037 2.087 -11.485 1.00 11.83 C ATOM 1456 OD1 ASP C 76 36.832 1.585 -12.611 1.00 12.80 O ATOM 1457 OD2 ASP C 76 38.126 2.600 -11.153 1.00 10.60 O ATOM 0 H ASP C 76 34.105 3.288 -9.321 1.00 15.27 H new ATOM 0 HA ASP C 76 34.676 2.869 -12.046 1.00 15.06 H new ATOM 0 HB2 ASP C 76 36.089 2.839 -9.720 1.00 12.57 H new ATOM 0 HB3 ASP C 76 35.900 1.112 -9.957 1.00 12.57 H new ATOM 1462 N LEU C 77 33.062 0.473 -10.542 1.00 14.98 N ATOM 1463 CA LEU C 77 32.381 -0.799 -10.746 1.00 16.01 C ATOM 1464 C LEU C 77 31.393 -0.705 -11.908 1.00 18.63 C ATOM 1465 O LEU C 77 31.470 -1.477 -12.862 1.00 19.41 O ATOM 1466 CB LEU C 77 31.665 -1.221 -9.455 1.00 16.38 C ATOM 1467 CG LEU C 77 30.539 -2.248 -9.620 1.00 18.47 C ATOM 1468 CD1 LEU C 77 30.968 -3.368 -10.553 1.00 18.44 C ATOM 1469 CD2 LEU C 77 30.127 -2.806 -8.267 1.00 19.37 C ATOM 0 H LEU C 77 32.848 0.930 -9.655 1.00 14.98 H new ATOM 0 HA LEU C 77 33.123 -1.557 -10.999 1.00 16.01 H new ATOM 0 HB2 LEU C 77 32.406 -1.630 -8.768 1.00 16.38 H new ATOM 0 HB3 LEU C 77 31.251 -0.329 -8.984 1.00 16.38 H new ATOM 0 HG LEU C 77 29.678 -1.747 -10.063 1.00 18.47 H new ATOM 0 HD11 LEU C 77 30.155 -4.087 -10.657 1.00 18.44 H new ATOM 0 HD12 LEU C 77 31.213 -2.953 -11.531 1.00 18.44 H new ATOM 0 HD13 LEU C 77 31.844 -3.869 -10.141 1.00 18.44 H new ATOM 0 HD21 LEU C 77 29.327 -3.534 -8.402 1.00 19.37 H new ATOM 0 HD22 LEU C 77 30.983 -3.291 -7.797 1.00 19.37 H new ATOM 0 HD23 LEU C 77 29.776 -1.994 -7.630 1.00 19.37 H new ATOM 1481 N TYR C 78 30.467 0.244 -11.820 1.00 20.08 N ATOM 1482 CA TYR C 78 29.471 0.434 -12.868 1.00 22.71 C ATOM 1483 C TYR C 78 30.132 0.829 -14.184 1.00 24.21 C ATOM 1484 O TYR C 78 29.571 0.616 -15.259 1.00 26.30 O ATOM 1485 CB TYR C 78 28.458 1.502 -12.449 1.00 23.21 C ATOM 1486 CG TYR C 78 27.662 1.141 -11.213 1.00 23.65 C ATOM 1487 CD1 TYR C 78 27.509 -0.199 -10.814 1.00 22.59 C ATOM 1488 CD2 TYR C 78 27.054 2.140 -10.434 1.00 25.21 C ATOM 1489 CE1 TYR C 78 26.772 -0.533 -9.674 1.00 23.12 C ATOM 1490 CE2 TYR C 78 26.317 1.814 -9.291 1.00 25.75 C ATOM 1491 CZ TYR C 78 26.179 0.478 -8.917 1.00 24.72 C ATOM 1492 OH TYR C 78 25.453 0.153 -7.794 1.00 25.34 O ATOM 0 H TYR C 78 30.385 0.892 -11.036 1.00 20.08 H new ATOM 0 HA TYR C 78 28.951 -0.512 -13.016 1.00 22.71 H new ATOM 0 HB2 TYR C 78 28.986 2.438 -12.269 1.00 23.21 H new ATOM 0 HB3 TYR C 78 27.768 1.679 -13.275 1.00 23.21 H new ATOM 0 HD1 TYR C 78 27.968 -0.983 -11.398 1.00 22.59 H new ATOM 0 HD2 TYR C 78 27.157 3.176 -10.722 1.00 25.21 H new ATOM 0 HE1 TYR C 78 26.662 -1.567 -9.381 1.00 23.12 H new ATOM 0 HE2 TYR C 78 25.857 2.593 -8.701 1.00 25.75 H new ATOM 0 HH TYR C 78 24.500 0.307 -7.964 1.00 25.34 H new ATOM 1502 N LYS C 79 31.328 1.402 -14.094 1.00 23.19 N ATOM 1503 CA LYS C 79 32.062 1.823 -15.281 1.00 24.45 C ATOM 1504 C LYS C 79 32.623 0.616 -16.027 1.00 25.86 C ATOM 1505 O LYS C 79 32.785 0.650 -17.247 1.00 27.29 O ATOM 1506 CB LYS C 79 33.199 2.772 -14.895 1.00 23.26 C ATOM 1507 CG LYS C 79 33.264 4.024 -15.756 1.00 23.10 C ATOM 1508 CD LYS C 79 34.287 3.879 -16.872 1.00 23.96 C ATOM 1509 CE LYS C 79 34.503 5.194 -17.604 1.00 24.50 C ATOM 1510 NZ LYS C 79 35.916 5.361 -18.042 1.00 24.98 N ATOM 0 H LYS C 79 31.808 1.585 -13.213 1.00 23.19 H new ATOM 0 HA LYS C 79 31.370 2.347 -15.940 1.00 24.45 H new ATOM 0 HB2 LYS C 79 33.079 3.064 -13.852 1.00 23.26 H new ATOM 0 HB3 LYS C 79 34.147 2.240 -14.970 1.00 23.26 H new ATOM 0 HG2 LYS C 79 32.282 4.224 -16.185 1.00 23.10 H new ATOM 0 HG3 LYS C 79 33.521 4.882 -15.134 1.00 23.10 H new ATOM 0 HD2 LYS C 79 35.233 3.533 -16.457 1.00 23.96 H new ATOM 0 HD3 LYS C 79 33.952 3.119 -17.578 1.00 23.96 H new ATOM 0 HE2 LYS C 79 33.846 5.238 -18.473 1.00 24.50 H new ATOM 0 HE3 LYS C 79 34.225 6.022 -16.952 1.00 24.50 H new ATOM 0 HZ1 LYS C 79 36.021 6.270 -18.537 1.00 24.98 H new ATOM 0 HZ2 LYS C 79 36.541 5.345 -17.211 1.00 24.98 H new ATOM 0 HZ3 LYS C 79 36.174 4.585 -18.685 1.00 24.98 H new ATOM 1524 N LYS C 80 32.921 -0.448 -15.288 1.00 25.58 N ATOM 1525 CA LYS C 80 33.467 -1.661 -15.881 1.00 26.85 C ATOM 1526 C LYS C 80 32.372 -2.489 -16.549 1.00 28.85 C ATOM 1527 O LYS C 80 32.639 -3.259 -17.471 1.00 30.47 O ATOM 1528 CB LYS C 80 34.178 -2.499 -14.817 1.00 25.50 C ATOM 1529 CG LYS C 80 35.690 -2.352 -14.842 1.00 23.16 C ATOM 1530 CD LYS C 80 36.364 -3.382 -13.951 1.00 21.19 C ATOM 1531 CE LYS C 80 37.532 -2.778 -13.188 1.00 19.63 C ATOM 1532 NZ LYS C 80 38.720 -3.677 -13.191 1.00 19.73 N ATOM 0 H LYS C 80 32.793 -0.494 -14.277 1.00 25.58 H new ATOM 0 HA LYS C 80 34.187 -1.366 -16.644 1.00 26.85 H new ATOM 0 HB2 LYS C 80 33.809 -2.211 -13.833 1.00 25.50 H new ATOM 0 HB3 LYS C 80 33.920 -3.548 -14.960 1.00 25.50 H new ATOM 0 HG2 LYS C 80 36.051 -2.462 -15.865 1.00 23.16 H new ATOM 0 HG3 LYS C 80 35.965 -1.350 -14.514 1.00 23.16 H new ATOM 0 HD2 LYS C 80 35.637 -3.786 -13.246 1.00 21.19 H new ATOM 0 HD3 LYS C 80 36.717 -4.215 -14.559 1.00 21.19 H new ATOM 0 HE2 LYS C 80 37.800 -1.820 -13.633 1.00 19.63 H new ATOM 0 HE3 LYS C 80 37.230 -2.578 -12.160 1.00 19.63 H new ATOM 0 HZ1 LYS C 80 39.495 -3.230 -12.661 1.00 19.73 H new ATOM 0 HZ2 LYS C 80 38.471 -4.582 -12.743 1.00 19.73 H new ATOM 0 HZ3 LYS C 80 39.024 -3.847 -14.171 1.00 19.73 H new ATOM 1546 N THR C 81 31.141 -2.327 -16.076 1.00 28.91 N ATOM 1547 CA THR C 81 30.008 -3.063 -16.627 1.00 30.96 C ATOM 1548 C THR C 81 29.745 -2.656 -18.072 1.00 33.42 C ATOM 1549 O THR C 81 29.550 -3.505 -18.942 1.00 34.34 O ATOM 1550 CB THR C 81 28.756 -2.822 -15.783 1.00 31.00 C ATOM 1551 OG1 THR C 81 28.962 -1.757 -14.872 1.00 29.47 O ATOM 1552 CG2 THR C 81 28.330 -4.034 -14.983 1.00 30.32 C ATOM 0 H THR C 81 30.902 -1.693 -15.313 1.00 28.91 H new ATOM 0 HA THR C 81 30.254 -4.125 -16.606 1.00 30.96 H new ATOM 0 HB THR C 81 27.968 -2.584 -16.498 1.00 31.00 H new ATOM 0 HG1 THR C 81 28.830 -0.902 -15.333 1.00 29.47 H new ATOM 0 HG21 THR C 81 27.436 -3.794 -14.407 1.00 30.32 H new ATOM 0 HG22 THR C 81 28.114 -4.860 -15.661 1.00 30.32 H new ATOM 0 HG23 THR C 81 29.132 -4.322 -14.304 1.00 30.32 H new ATOM 1616 N ASP D 54 26.370 7.346 -17.184 1.00 33.50 N ATOM 1617 CA ASP D 54 25.330 6.964 -16.238 1.00 30.64 C ATOM 1618 C ASP D 54 25.925 6.202 -15.060 1.00 29.87 C ATOM 1619 O ASP D 54 25.374 6.208 -13.958 1.00 28.69 O ATOM 1620 CB ASP D 54 24.269 6.107 -16.931 1.00 29.75 C ATOM 1621 CG ASP D 54 24.874 4.933 -17.676 1.00 29.36 C ATOM 1622 OD1 ASP D 54 25.895 5.131 -18.366 1.00 30.30 O ATOM 1623 OD2 ASP D 54 24.325 3.816 -17.569 1.00 28.23 O ATOM 0 HA ASP D 54 24.862 7.874 -15.863 1.00 30.64 H new ATOM 0 HB2 ASP D 54 23.562 5.738 -16.188 1.00 29.75 H new ATOM 0 HB3 ASP D 54 23.705 6.725 -17.629 1.00 29.75 H new ATOM 1628 N ALA D 55 27.057 5.549 -15.299 1.00 30.64 N ATOM 1629 CA ALA D 55 27.732 4.784 -14.259 1.00 30.12 C ATOM 1630 C ALA D 55 27.991 5.648 -13.030 1.00 28.22 C ATOM 1631 O ALA D 55 27.743 5.228 -11.900 1.00 26.57 O ATOM 1632 CB ALA D 55 29.036 4.213 -14.791 1.00 32.46 C ATOM 0 H ALA D 55 27.526 5.535 -16.205 1.00 30.64 H new ATOM 0 HA ALA D 55 27.083 3.960 -13.963 1.00 30.12 H new ATOM 0 HB1 ALA D 55 29.531 3.643 -14.005 1.00 32.46 H new ATOM 0 HB2 ALA D 55 28.828 3.558 -15.637 1.00 32.46 H new ATOM 0 HB3 ALA D 55 29.685 5.027 -15.113 1.00 32.46 H new ATOM 1638 N GLU D 56 28.487 6.859 -13.261 1.00 28.64 N ATOM 1639 CA GLU D 56 28.774 7.785 -12.172 1.00 27.20 C ATOM 1640 C GLU D 56 27.484 8.248 -11.505 1.00 24.82 C ATOM 1641 O GLU D 56 27.346 8.181 -10.284 1.00 24.56 O ATOM 1642 CB GLU D 56 29.556 8.994 -12.691 1.00 28.74 C ATOM 1643 CG GLU D 56 30.397 9.677 -11.626 1.00 30.09 C ATOM 1644 CD GLU D 56 29.665 10.816 -10.944 1.00 28.98 C ATOM 1645 OE1 GLU D 56 28.457 10.664 -10.665 1.00 27.77 O ATOM 1646 OE2 GLU D 56 30.300 11.862 -10.689 1.00 29.52 O ATOM 0 H GLU D 56 28.698 7.221 -14.191 1.00 28.64 H new ATOM 0 HA GLU D 56 29.381 7.262 -11.433 1.00 27.20 H new ATOM 0 HB2 GLU D 56 30.206 8.673 -13.505 1.00 28.74 H new ATOM 0 HB3 GLU D 56 28.856 9.717 -13.108 1.00 28.74 H new ATOM 0 HG2 GLU D 56 30.695 8.942 -10.878 1.00 30.09 H new ATOM 0 HG3 GLU D 56 31.311 10.058 -12.080 1.00 30.09 H new ATOM 1653 N ARG D 57 26.540 8.712 -12.318 1.00 23.27 N ATOM 1654 CA ARG D 57 25.258 9.181 -11.807 1.00 20.95 C ATOM 1655 C ARG D 57 24.588 8.099 -10.967 1.00 19.06 C ATOM 1656 O ARG D 57 23.912 8.393 -9.981 1.00 18.20 O ATOM 1657 CB ARG D 57 24.340 9.589 -12.962 1.00 19.88 C ATOM 1658 CG ARG D 57 24.829 10.809 -13.725 1.00 21.34 C ATOM 1659 CD ARG D 57 24.310 10.816 -15.153 1.00 21.06 C ATOM 1660 NE ARG D 57 22.855 10.701 -15.207 1.00 21.01 N ATOM 1661 CZ ARG D 57 22.159 10.676 -16.338 1.00 21.83 C ATOM 1662 NH1 ARG D 57 22.782 10.759 -17.506 1.00 22.72 N ATOM 1663 NH2 ARG D 57 20.837 10.570 -16.303 1.00 22.02 N ATOM 0 H ARG D 57 26.639 8.773 -13.331 1.00 23.27 H new ATOM 0 HA ARG D 57 25.440 10.051 -11.176 1.00 20.95 H new ATOM 0 HB2 ARG D 57 24.246 8.752 -13.654 1.00 19.88 H new ATOM 0 HB3 ARG D 57 23.344 9.792 -12.569 1.00 19.88 H new ATOM 0 HG2 ARG D 57 24.503 11.715 -13.213 1.00 21.34 H new ATOM 0 HG3 ARG D 57 25.919 10.822 -13.733 1.00 21.34 H new ATOM 0 HD2 ARG D 57 24.619 11.737 -15.647 1.00 21.06 H new ATOM 0 HD3 ARG D 57 24.760 9.991 -15.706 1.00 21.06 H new ATOM 0 HE ARG D 57 22.344 10.636 -14.326 1.00 21.01 H new ATOM 0 HH11 ARG D 57 23.798 10.842 -17.537 1.00 22.72 H new ATOM 0 HH12 ARG D 57 22.245 10.740 -18.373 1.00 22.72 H new ATOM 0 HH21 ARG D 57 20.354 10.508 -15.407 1.00 22.02 H new ATOM 0 HH22 ARG D 57 20.304 10.551 -17.172 1.00 22.02 H new ATOM 1677 N LEU D 58 24.788 6.847 -11.364 1.00 18.61 N ATOM 1678 CA LEU D 58 24.210 5.718 -10.646 1.00 16.81 C ATOM 1679 C LEU D 58 24.824 5.593 -9.259 1.00 16.52 C ATOM 1680 O LEU D 58 24.128 5.682 -8.249 1.00 15.47 O ATOM 1681 CB LEU D 58 24.428 4.423 -11.429 1.00 15.78 C ATOM 1682 CG LEU D 58 23.328 4.080 -12.435 1.00 14.95 C ATOM 1683 CD1 LEU D 58 23.875 3.184 -13.535 1.00 15.62 C ATOM 1684 CD2 LEU D 58 22.155 3.412 -11.732 1.00 12.72 C ATOM 0 H LEU D 58 25.345 6.589 -12.178 1.00 18.61 H new ATOM 0 HA LEU D 58 23.139 5.893 -10.540 1.00 16.81 H new ATOM 0 HB2 LEU D 58 25.376 4.494 -11.961 1.00 15.78 H new ATOM 0 HB3 LEU D 58 24.521 3.600 -10.721 1.00 15.78 H new ATOM 0 HG LEU D 58 22.974 5.005 -12.891 1.00 14.95 H new ATOM 0 HD11 LEU D 58 23.080 2.949 -14.242 1.00 15.62 H new ATOM 0 HD12 LEU D 58 24.683 3.698 -14.055 1.00 15.62 H new ATOM 0 HD13 LEU D 58 24.255 2.261 -13.097 1.00 15.62 H new ATOM 0 HD21 LEU D 58 21.381 3.174 -12.462 1.00 12.72 H new ATOM 0 HD22 LEU D 58 22.494 2.495 -11.251 1.00 12.72 H new ATOM 0 HD23 LEU D 58 21.749 4.088 -10.979 1.00 12.72 H new ATOM 1696 N ALA D 59 26.136 5.391 -9.222 1.00 17.52 N ATOM 1697 CA ALA D 59 26.858 5.256 -7.962 1.00 17.45 C ATOM 1698 C ALA D 59 26.463 6.359 -6.987 1.00 18.37 C ATOM 1699 O ALA D 59 26.420 6.146 -5.775 1.00 18.56 O ATOM 1700 CB ALA D 59 28.359 5.278 -8.210 1.00 17.60 C ATOM 0 H ALA D 59 26.723 5.317 -10.053 1.00 17.52 H new ATOM 0 HA ALA D 59 26.590 4.298 -7.516 1.00 17.45 H new ATOM 0 HB1 ALA D 59 28.886 5.176 -7.261 1.00 17.60 H new ATOM 0 HB2 ALA D 59 28.631 4.452 -8.867 1.00 17.60 H new ATOM 0 HB3 ALA D 59 28.636 6.222 -8.680 1.00 17.60 H new ATOM 1706 N ASP D 60 26.165 7.538 -7.526 1.00 19.18 N ATOM 1707 CA ASP D 60 25.761 8.671 -6.704 1.00 20.30 C ATOM 1708 C ASP D 60 24.440 8.374 -6.007 1.00 18.61 C ATOM 1709 O ASP D 60 24.264 8.679 -4.827 1.00 19.05 O ATOM 1710 CB ASP D 60 25.631 9.934 -7.559 1.00 22.45 C ATOM 1711 CG ASP D 60 25.439 11.182 -6.720 1.00 23.17 C ATOM 1712 OD1 ASP D 60 24.583 11.160 -5.810 1.00 22.45 O ATOM 1713 OD2 ASP D 60 26.143 12.183 -6.974 1.00 24.69 O ATOM 0 H ASP D 60 26.196 7.732 -8.527 1.00 19.18 H new ATOM 0 HA ASP D 60 26.528 8.839 -5.948 1.00 20.30 H new ATOM 0 HB2 ASP D 60 26.524 10.047 -8.174 1.00 22.45 H new ATOM 0 HB3 ASP D 60 24.787 9.824 -8.240 1.00 22.45 H new ATOM 1718 N GLU D 61 23.514 7.766 -6.744 1.00 16.85 N ATOM 1719 CA GLU D 61 22.212 7.414 -6.197 1.00 15.46 C ATOM 1720 C GLU D 61 22.356 6.318 -5.147 1.00 13.45 C ATOM 1721 O GLU D 61 21.663 6.323 -4.129 1.00 12.90 O ATOM 1722 CB GLU D 61 21.270 6.955 -7.312 1.00 15.11 C ATOM 1723 CG GLU D 61 20.874 8.066 -8.271 1.00 15.34 C ATOM 1724 CD GLU D 61 19.468 7.897 -8.811 1.00 15.66 C ATOM 1725 OE1 GLU D 61 19.205 6.868 -9.469 1.00 14.59 O ATOM 1726 OE2 GLU D 61 18.631 8.794 -8.578 1.00 17.19 O ATOM 0 H GLU D 61 23.644 7.508 -7.722 1.00 16.85 H new ATOM 0 HA GLU D 61 21.787 8.299 -5.723 1.00 15.46 H new ATOM 0 HB2 GLU D 61 21.750 6.155 -7.875 1.00 15.11 H new ATOM 0 HB3 GLU D 61 20.369 6.534 -6.865 1.00 15.11 H new ATOM 0 HG2 GLU D 61 20.950 9.026 -7.760 1.00 15.34 H new ATOM 0 HG3 GLU D 61 21.578 8.091 -9.103 1.00 15.34 H new ATOM 1733 N GLN D 62 23.272 5.387 -5.399 1.00 12.64 N ATOM 1734 CA GLN D 62 23.521 4.288 -4.474 1.00 11.34 C ATOM 1735 C GLN D 62 24.141 4.811 -3.183 1.00 10.23 C ATOM 1736 O GLN D 62 23.766 4.395 -2.086 1.00 9.59 O ATOM 1737 CB GLN D 62 24.451 3.253 -5.113 1.00 11.89 C ATOM 1738 CG GLN D 62 24.242 3.081 -6.611 1.00 14.17 C ATOM 1739 CD GLN D 62 22.777 3.037 -6.999 1.00 14.04 C ATOM 1740 OE1 GLN D 62 21.906 2.818 -6.158 1.00 13.37 O ATOM 1741 NE2 GLN D 62 22.498 3.245 -8.281 1.00 15.18 N ATOM 0 H GLN D 62 23.854 5.373 -6.237 1.00 12.64 H new ATOM 0 HA GLN D 62 22.568 3.812 -4.242 1.00 11.34 H new ATOM 0 HB2 GLN D 62 25.485 3.546 -4.931 1.00 11.89 H new ATOM 0 HB3 GLN D 62 24.301 2.291 -4.622 1.00 11.89 H new ATOM 0 HG2 GLN D 62 24.728 3.902 -7.138 1.00 14.17 H new ATOM 0 HG3 GLN D 62 24.727 2.161 -6.938 1.00 14.17 H new ATOM 0 HE21 GLN D 62 23.252 3.423 -8.945 1.00 15.18 H new ATOM 0 HE22 GLN D 62 21.530 3.227 -8.602 1.00 15.18 H new ATOM 1750 N SER D 63 25.088 5.732 -3.326 1.00 10.65 N ATOM 1751 CA SER D 63 25.765 6.323 -2.178 1.00 10.54 C ATOM 1752 C SER D 63 24.761 6.946 -1.214 1.00 8.28 C ATOM 1753 O SER D 63 24.622 6.503 -0.075 1.00 7.56 O ATOM 1754 CB SER D 63 26.764 7.383 -2.645 1.00 12.63 C ATOM 1755 OG SER D 63 26.485 7.799 -3.970 1.00 12.23 O ATOM 0 H SER D 63 25.405 6.086 -4.229 1.00 10.65 H new ATOM 0 HA SER D 63 26.299 5.531 -1.654 1.00 10.54 H new ATOM 0 HB2 SER D 63 26.727 8.242 -1.975 1.00 12.63 H new ATOM 0 HB3 SER D 63 27.776 6.982 -2.592 1.00 12.63 H new ATOM 0 HG SER D 63 26.925 7.194 -4.602 1.00 12.23 H new ATOM 1761 N GLU D 64 24.064 7.978 -1.679 1.00 7.56 N ATOM 1762 CA GLU D 64 23.074 8.663 -0.862 1.00 5.56 C ATOM 1763 C GLU D 64 22.125 7.666 -0.204 1.00 3.79 C ATOM 1764 O GLU D 64 21.612 7.908 0.888 1.00 3.22 O ATOM 1765 CB GLU D 64 22.284 9.653 -1.717 1.00 5.04 C ATOM 1766 CG GLU D 64 21.356 8.987 -2.720 1.00 5.76 C ATOM 1767 CD GLU D 64 20.284 9.927 -3.236 1.00 6.17 C ATOM 1768 OE1 GLU D 64 19.284 10.138 -2.518 1.00 6.21 O ATOM 1769 OE2 GLU D 64 20.444 10.452 -4.358 1.00 6.62 O ATOM 0 H GLU D 64 24.168 8.357 -2.620 1.00 7.56 H new ATOM 0 HA GLU D 64 23.597 9.207 -0.075 1.00 5.56 H new ATOM 0 HB2 GLU D 64 21.696 10.297 -1.063 1.00 5.04 H new ATOM 0 HB3 GLU D 64 22.983 10.296 -2.252 1.00 5.04 H new ATOM 0 HG2 GLU D 64 21.942 8.614 -3.560 1.00 5.76 H new ATOM 0 HG3 GLU D 64 20.883 8.123 -2.253 1.00 5.76 H new ATOM 1776 N LEU D 65 21.898 6.542 -0.877 1.00 3.27 N ATOM 1777 CA LEU D 65 21.015 5.507 -0.359 1.00 2.69 C ATOM 1778 C LEU D 65 21.652 4.797 0.831 1.00 2.22 C ATOM 1779 O LEU D 65 20.975 4.471 1.807 1.00 2.82 O ATOM 1780 CB LEU D 65 20.678 4.494 -1.457 1.00 2.37 C ATOM 1781 CG LEU D 65 19.199 4.425 -1.842 1.00 4.30 C ATOM 1782 CD1 LEU D 65 19.043 4.347 -3.352 1.00 5.49 C ATOM 1783 CD2 LEU D 65 18.529 3.234 -1.174 1.00 4.32 C ATOM 0 H LEU D 65 22.315 6.326 -1.783 1.00 3.27 H new ATOM 0 HA LEU D 65 20.094 5.984 -0.024 1.00 2.69 H new ATOM 0 HB2 LEU D 65 21.258 4.739 -2.347 1.00 2.37 H new ATOM 0 HB3 LEU D 65 20.999 3.505 -1.129 1.00 2.37 H new ATOM 0 HG LEU D 65 18.711 5.335 -1.493 1.00 4.30 H new ATOM 0 HD11 LEU D 65 17.984 4.299 -3.606 1.00 5.49 H new ATOM 0 HD12 LEU D 65 19.486 5.231 -3.810 1.00 5.49 H new ATOM 0 HD13 LEU D 65 19.547 3.455 -3.724 1.00 5.49 H new ATOM 0 HD21 LEU D 65 17.478 3.201 -1.459 1.00 4.32 H new ATOM 0 HD22 LEU D 65 19.020 2.315 -1.492 1.00 4.32 H new ATOM 0 HD23 LEU D 65 18.608 3.332 -0.091 1.00 4.32 H new ATOM 1795 N VAL D 66 22.957 4.557 0.743 1.00 1.62 N ATOM 1796 CA VAL D 66 23.681 3.884 1.814 1.00 1.89 C ATOM 1797 C VAL D 66 23.764 4.762 3.056 1.00 3.24 C ATOM 1798 O VAL D 66 23.653 4.274 4.182 1.00 3.92 O ATOM 1799 CB VAL D 66 25.112 3.494 1.384 1.00 4.60 C ATOM 1800 CG1 VAL D 66 25.639 2.362 2.251 1.00 5.41 C ATOM 1801 CG2 VAL D 66 25.151 3.106 -0.087 1.00 6.09 C ATOM 0 H VAL D 66 23.533 4.818 -0.057 1.00 1.62 H new ATOM 0 HA VAL D 66 23.122 2.977 2.043 1.00 1.89 H new ATOM 0 HB VAL D 66 25.756 4.362 1.521 1.00 4.60 H new ATOM 0 HG11 VAL D 66 26.648 2.100 1.934 1.00 5.41 H new ATOM 0 HG12 VAL D 66 25.657 2.680 3.293 1.00 5.41 H new ATOM 0 HG13 VAL D 66 24.990 1.493 2.148 1.00 5.41 H new ATOM 0 HG21 VAL D 66 26.170 2.836 -0.365 1.00 6.09 H new ATOM 0 HG22 VAL D 66 24.491 2.256 -0.257 1.00 6.09 H new ATOM 0 HG23 VAL D 66 24.821 3.949 -0.694 1.00 6.09 H new ATOM 1811 N LYS D 67 23.961 6.058 2.845 1.00 4.70 N ATOM 1812 CA LYS D 67 24.062 7.004 3.950 1.00 6.97 C ATOM 1813 C LYS D 67 22.809 6.964 4.817 1.00 8.30 C ATOM 1814 O LYS D 67 22.883 6.691 6.013 1.00 9.06 O ATOM 1815 CB LYS D 67 24.286 8.422 3.417 1.00 9.07 C ATOM 1816 CG LYS D 67 24.224 9.496 4.492 1.00 9.37 C ATOM 1817 CD LYS D 67 25.031 10.724 4.100 1.00 11.72 C ATOM 1818 CE LYS D 67 24.127 11.880 3.703 1.00 13.69 C ATOM 1819 NZ LYS D 67 24.848 13.183 3.723 1.00 15.97 N ATOM 0 H LYS D 67 24.054 6.478 1.920 1.00 4.70 H new ATOM 0 HA LYS D 67 24.915 6.717 4.565 1.00 6.97 H new ATOM 0 HB2 LYS D 67 25.258 8.467 2.927 1.00 9.07 H new ATOM 0 HB3 LYS D 67 23.535 8.638 2.657 1.00 9.07 H new ATOM 0 HG2 LYS D 67 23.186 9.781 4.664 1.00 9.37 H new ATOM 0 HG3 LYS D 67 24.604 9.094 5.431 1.00 9.37 H new ATOM 0 HD2 LYS D 67 25.665 11.026 4.934 1.00 11.72 H new ATOM 0 HD3 LYS D 67 25.693 10.476 3.270 1.00 11.72 H new ATOM 0 HE2 LYS D 67 23.728 11.702 2.705 1.00 13.69 H new ATOM 0 HE3 LYS D 67 23.276 11.926 4.383 1.00 13.69 H new ATOM 0 HZ1 LYS D 67 24.196 13.945 3.446 1.00 15.97 H new ATOM 0 HZ2 LYS D 67 25.208 13.366 4.682 1.00 15.97 H new ATOM 0 HZ3 LYS D 67 25.644 13.149 3.055 1.00 15.97 H new ATOM 1833 N LYS D 68 21.660 7.236 4.209 1.00 9.13 N ATOM 1834 CA LYS D 68 20.396 7.227 4.936 1.00 10.96 C ATOM 1835 C LYS D 68 20.221 5.917 5.700 1.00 10.95 C ATOM 1836 O LYS D 68 19.635 5.892 6.782 1.00 11.99 O ATOM 1837 CB LYS D 68 19.225 7.434 3.975 1.00 10.94 C ATOM 1838 CG LYS D 68 18.257 8.517 4.422 1.00 13.45 C ATOM 1839 CD LYS D 68 17.093 8.663 3.457 1.00 15.14 C ATOM 1840 CE LYS D 68 16.263 9.899 3.765 1.00 17.01 C ATOM 1841 NZ LYS D 68 15.035 9.565 4.540 1.00 18.80 N ATOM 0 H LYS D 68 21.577 7.465 3.218 1.00 9.13 H new ATOM 0 HA LYS D 68 20.412 8.047 5.653 1.00 10.96 H new ATOM 0 HB2 LYS D 68 19.615 7.691 2.990 1.00 10.94 H new ATOM 0 HB3 LYS D 68 18.683 6.495 3.868 1.00 10.94 H new ATOM 0 HG2 LYS D 68 17.878 8.279 5.416 1.00 13.45 H new ATOM 0 HG3 LYS D 68 18.785 9.467 4.501 1.00 13.45 H new ATOM 0 HD2 LYS D 68 17.471 8.723 2.436 1.00 15.14 H new ATOM 0 HD3 LYS D 68 16.461 7.777 3.511 1.00 15.14 H new ATOM 0 HE2 LYS D 68 16.866 10.610 4.330 1.00 17.01 H new ATOM 0 HE3 LYS D 68 15.982 10.389 2.833 1.00 17.01 H new ATOM 0 HZ1 LYS D 68 14.497 10.435 4.730 1.00 18.80 H new ATOM 0 HZ2 LYS D 68 14.446 8.906 3.991 1.00 18.80 H new ATOM 0 HZ3 LYS D 68 15.303 9.121 5.441 1.00 18.80 H new ATOM 1855 N MET D 69 20.734 4.832 5.129 1.00 10.36 N ATOM 1856 CA MET D 69 20.634 3.521 5.758 1.00 11.14 C ATOM 1857 C MET D 69 21.471 3.461 7.033 1.00 12.48 C ATOM 1858 O MET D 69 20.967 3.121 8.105 1.00 13.10 O ATOM 1859 CB MET D 69 21.089 2.433 4.784 1.00 9.38 C ATOM 1860 CG MET D 69 21.165 1.049 5.409 1.00 10.02 C ATOM 1861 SD MET D 69 21.800 -0.192 4.265 1.00 10.07 S ATOM 1862 CE MET D 69 23.461 0.420 3.988 1.00 8.46 C ATOM 0 H MET D 69 21.222 4.835 4.233 1.00 10.36 H new ATOM 0 HA MET D 69 19.591 3.351 6.024 1.00 11.14 H new ATOM 0 HB2 MET D 69 20.402 2.403 3.939 1.00 9.38 H new ATOM 0 HB3 MET D 69 22.069 2.698 4.388 1.00 9.38 H new ATOM 0 HG2 MET D 69 21.805 1.087 6.291 1.00 10.02 H new ATOM 0 HG3 MET D 69 20.173 0.752 5.748 1.00 10.02 H new ATOM 0 HE1 MET D 69 24.152 -0.420 3.921 1.00 8.46 H new ATOM 0 HE2 MET D 69 23.489 0.988 3.058 1.00 8.46 H new ATOM 0 HE3 MET D 69 23.754 1.066 4.816 1.00 8.46 H new ATOM 1872 N VAL D 70 22.752 3.792 6.909 1.00 13.03 N ATOM 1873 CA VAL D 70 23.658 3.774 8.050 1.00 14.40 C ATOM 1874 C VAL D 70 23.417 4.966 8.971 1.00 15.50 C ATOM 1875 O VAL D 70 23.786 4.939 10.146 1.00 15.32 O ATOM 1876 CB VAL D 70 25.128 3.771 7.595 1.00 13.37 C ATOM 1877 CG1 VAL D 70 26.058 3.614 8.789 1.00 14.00 C ATOM 1878 CG2 VAL D 70 25.363 2.667 6.575 1.00 11.24 C ATOM 0 H VAL D 70 23.185 4.076 6.030 1.00 13.03 H new ATOM 0 HA VAL D 70 23.454 2.856 8.601 1.00 14.40 H new ATOM 0 HB VAL D 70 25.347 4.728 7.121 1.00 13.37 H new ATOM 0 HG11 VAL D 70 27.093 3.614 8.447 1.00 14.00 H new ATOM 0 HG12 VAL D 70 25.905 4.442 9.481 1.00 14.00 H new ATOM 0 HG13 VAL D 70 25.844 2.673 9.296 1.00 14.00 H new ATOM 0 HG21 VAL D 70 26.407 2.677 6.262 1.00 11.24 H new ATOM 0 HG22 VAL D 70 25.128 1.702 7.023 1.00 11.24 H new ATOM 0 HG23 VAL D 70 24.723 2.830 5.708 1.00 11.24 H new ATOM 1888 N PHE D 71 22.792 6.011 8.435 1.00 16.92 N ATOM 1889 CA PHE D 71 22.499 7.208 9.214 1.00 18.46 C ATOM 1890 C PHE D 71 21.571 6.875 10.376 1.00 19.79 C ATOM 1891 O PHE D 71 21.800 7.297 11.509 1.00 19.84 O ATOM 1892 CB PHE D 71 21.862 8.278 8.325 1.00 20.36 C ATOM 1893 CG PHE D 71 21.459 9.518 9.073 1.00 21.82 C ATOM 1894 CD1 PHE D 71 22.330 10.105 10.001 1.00 22.42 C ATOM 1895 CD2 PHE D 71 20.207 10.108 8.853 1.00 22.94 C ATOM 1896 CE1 PHE D 71 21.959 11.259 10.697 1.00 24.08 C ATOM 1897 CE2 PHE D 71 19.830 11.262 9.546 1.00 24.46 C ATOM 1898 CZ PHE D 71 20.707 11.838 10.469 1.00 25.02 C ATOM 0 H PHE D 71 22.479 6.052 7.465 1.00 16.92 H new ATOM 0 HA PHE D 71 23.436 7.595 9.615 1.00 18.46 H new ATOM 0 HB2 PHE D 71 22.565 8.551 7.538 1.00 20.36 H new ATOM 0 HB3 PHE D 71 20.984 7.857 7.836 1.00 20.36 H new ATOM 0 HD1 PHE D 71 23.298 9.661 10.180 1.00 22.42 H new ATOM 0 HD2 PHE D 71 19.526 9.666 8.140 1.00 22.94 H new ATOM 0 HE1 PHE D 71 22.638 11.703 11.410 1.00 24.08 H new ATOM 0 HE2 PHE D 71 18.862 11.708 9.368 1.00 24.46 H new ATOM 0 HZ PHE D 71 20.418 12.730 11.006 1.00 25.02 H new ATOM 1908 N ASP D 72 20.524 6.111 10.086 1.00 21.07 N ATOM 1909 CA ASP D 72 19.562 5.714 11.106 1.00 22.82 C ATOM 1910 C ASP D 72 20.194 4.732 12.084 1.00 21.91 C ATOM 1911 O ASP D 72 20.043 4.865 13.299 1.00 22.21 O ATOM 1912 CB ASP D 72 18.328 5.086 10.457 1.00 24.69 C ATOM 1913 CG ASP D 72 17.224 4.815 11.460 1.00 26.84 C ATOM 1914 OD1 ASP D 72 17.423 3.956 12.344 1.00 26.36 O ATOM 1915 OD2 ASP D 72 16.160 5.462 11.360 1.00 29.03 O ATOM 0 H ASP D 72 20.320 5.754 9.152 1.00 21.07 H new ATOM 0 HA ASP D 72 19.257 6.605 11.655 1.00 22.82 H new ATOM 0 HB2 ASP D 72 17.953 5.750 9.678 1.00 24.69 H new ATOM 0 HB3 ASP D 72 18.611 4.152 9.971 1.00 24.69 H new ATOM 1920 N THR D 73 20.905 3.745 11.548 1.00 21.09 N ATOM 1921 CA THR D 73 21.563 2.741 12.377 1.00 20.55 C ATOM 1922 C THR D 73 22.471 3.402 13.409 1.00 20.68 C ATOM 1923 O THR D 73 22.414 3.080 14.596 1.00 22.10 O ATOM 1924 CB THR D 73 22.376 1.782 11.506 1.00 17.94 C ATOM 1925 OG1 THR D 73 21.525 1.034 10.656 1.00 17.94 O ATOM 1926 CG2 THR D 73 23.202 0.799 12.307 1.00 16.80 C ATOM 0 H THR D 73 21.040 3.619 10.545 1.00 21.09 H new ATOM 0 HA THR D 73 20.792 2.177 12.903 1.00 20.55 H new ATOM 0 HB THR D 73 23.051 2.416 10.932 1.00 17.94 H new ATOM 0 HG1 THR D 73 21.325 1.557 9.851 1.00 17.94 H new ATOM 0 HG21 THR D 73 23.754 0.149 11.628 1.00 16.80 H new ATOM 0 HG22 THR D 73 23.904 1.343 12.938 1.00 16.80 H new ATOM 0 HG23 THR D 73 22.544 0.196 12.932 1.00 16.80 H new ATOM 1934 N LEU D 74 23.306 4.327 12.949 1.00 19.34 N ATOM 1935 CA LEU D 74 24.226 5.033 13.833 1.00 19.36 C ATOM 1936 C LEU D 74 23.465 5.783 14.922 1.00 20.81 C ATOM 1937 O LEU D 74 23.865 5.781 16.086 1.00 20.99 O ATOM 1938 CB LEU D 74 25.089 6.010 13.032 1.00 17.26 C ATOM 1939 CG LEU D 74 26.136 5.358 12.128 1.00 14.71 C ATOM 1940 CD1 LEU D 74 26.668 6.362 11.116 1.00 14.50 C ATOM 1941 CD2 LEU D 74 27.273 4.784 12.960 1.00 12.76 C ATOM 0 H LEU D 74 23.365 4.605 11.969 1.00 19.34 H new ATOM 0 HA LEU D 74 24.872 4.295 14.308 1.00 19.36 H new ATOM 0 HB2 LEU D 74 24.435 6.629 12.417 1.00 17.26 H new ATOM 0 HB3 LEU D 74 25.597 6.677 13.728 1.00 17.26 H new ATOM 0 HG LEU D 74 25.661 4.542 11.583 1.00 14.71 H new ATOM 0 HD11 LEU D 74 27.412 5.880 10.482 1.00 14.50 H new ATOM 0 HD12 LEU D 74 25.847 6.727 10.499 1.00 14.50 H new ATOM 0 HD13 LEU D 74 27.127 7.200 11.641 1.00 14.50 H new ATOM 0 HD21 LEU D 74 28.009 4.324 12.301 1.00 12.76 H new ATOM 0 HD22 LEU D 74 27.746 5.583 13.531 1.00 12.76 H new ATOM 0 HD23 LEU D 74 26.879 4.033 13.645 1.00 12.76 H new ATOM 1953 N LYS D 75 22.363 6.422 14.536 1.00 21.98 N ATOM 1954 CA LYS D 75 21.545 7.174 15.481 1.00 23.67 C ATOM 1955 C LYS D 75 21.219 6.329 16.707 1.00 25.50 C ATOM 1956 O LYS D 75 21.306 6.801 17.841 1.00 26.69 O ATOM 1957 CB LYS D 75 20.252 7.643 14.812 1.00 23.47 C ATOM 1958 CG LYS D 75 19.329 8.413 15.743 1.00 24.51 C ATOM 1959 CD LYS D 75 19.035 9.806 15.212 1.00 23.88 C ATOM 1960 CE LYS D 75 17.656 10.285 15.639 1.00 25.17 C ATOM 1961 NZ LYS D 75 17.647 10.763 17.049 1.00 24.55 N ATOM 0 H LYS D 75 22.017 6.433 13.576 1.00 21.98 H new ATOM 0 HA LYS D 75 22.115 8.046 15.802 1.00 23.67 H new ATOM 0 HB2 LYS D 75 20.502 8.274 13.959 1.00 23.47 H new ATOM 0 HB3 LYS D 75 19.719 6.776 14.422 1.00 23.47 H new ATOM 0 HG2 LYS D 75 18.395 7.865 15.865 1.00 24.51 H new ATOM 0 HG3 LYS D 75 19.786 8.488 16.730 1.00 24.51 H new ATOM 0 HD2 LYS D 75 19.792 10.502 15.574 1.00 23.88 H new ATOM 0 HD3 LYS D 75 19.100 9.803 14.124 1.00 23.88 H new ATOM 0 HE2 LYS D 75 17.331 11.091 14.980 1.00 25.17 H new ATOM 0 HE3 LYS D 75 16.938 9.472 15.526 1.00 25.17 H new ATOM 0 HZ1 LYS D 75 16.690 11.081 17.302 1.00 24.55 H new ATOM 0 HZ2 LYS D 75 17.932 9.987 17.680 1.00 24.55 H new ATOM 0 HZ3 LYS D 75 18.313 11.555 17.151 1.00 24.55 H new ATOM 1975 N ASP D 76 20.846 5.077 16.470 1.00 25.86 N ATOM 1976 CA ASP D 76 20.509 4.162 17.550 1.00 27.68 C ATOM 1977 C ASP D 76 21.771 3.655 18.240 1.00 28.29 C ATOM 1978 O ASP D 76 21.744 3.286 19.414 1.00 30.00 O ATOM 1979 CB ASP D 76 19.696 2.982 17.014 1.00 27.63 C ATOM 1980 CG ASP D 76 18.357 2.840 17.708 1.00 29.37 C ATOM 1981 OD1 ASP D 76 18.316 2.240 18.803 1.00 29.27 O ATOM 1982 OD2 ASP D 76 17.348 3.330 17.159 1.00 30.95 O ATOM 0 H ASP D 76 20.770 4.673 15.537 1.00 25.86 H new ATOM 0 HA ASP D 76 19.907 4.703 18.280 1.00 27.68 H new ATOM 0 HB2 ASP D 76 19.535 3.111 15.944 1.00 27.63 H new ATOM 0 HB3 ASP D 76 20.268 2.063 17.142 1.00 27.63 H new ATOM 1987 N LEU D 77 22.874 3.640 17.501 1.00 26.92 N ATOM 1988 CA LEU D 77 24.149 3.180 18.036 1.00 27.40 C ATOM 1989 C LEU D 77 24.666 4.134 19.109 1.00 28.77 C ATOM 1990 O LEU D 77 25.290 3.709 20.081 1.00 30.09 O ATOM 1991 CB LEU D 77 25.178 3.055 16.911 1.00 25.50 C ATOM 1992 CG LEU D 77 25.125 1.742 16.128 1.00 24.02 C ATOM 1993 CD1 LEU D 77 26.043 1.805 14.917 1.00 21.32 C ATOM 1994 CD2 LEU D 77 25.502 0.572 17.025 1.00 24.96 C ATOM 0 H LEU D 77 22.911 3.942 16.527 1.00 26.92 H new ATOM 0 HA LEU D 77 23.994 2.202 18.491 1.00 27.40 H new ATOM 0 HB2 LEU D 77 25.035 3.881 16.215 1.00 25.50 H new ATOM 0 HB3 LEU D 77 26.175 3.166 17.337 1.00 25.50 H new ATOM 0 HG LEU D 77 24.104 1.591 15.776 1.00 24.02 H new ATOM 0 HD11 LEU D 77 25.992 0.862 14.372 1.00 21.32 H new ATOM 0 HD12 LEU D 77 25.728 2.619 14.264 1.00 21.32 H new ATOM 0 HD13 LEU D 77 27.068 1.979 15.246 1.00 21.32 H new ATOM 0 HD21 LEU D 77 25.459 -0.354 16.452 1.00 24.96 H new ATOM 0 HD22 LEU D 77 26.513 0.717 17.406 1.00 24.96 H new ATOM 0 HD23 LEU D 77 24.804 0.514 17.860 1.00 24.96 H new ATOM 2006 N TYR D 78 24.403 5.424 18.924 1.00 28.62 N ATOM 2007 CA TYR D 78 24.842 6.436 19.876 1.00 30.06 C ATOM 2008 C TYR D 78 23.941 6.457 21.106 1.00 31.95 C ATOM 2009 O TYR D 78 24.406 6.269 22.231 1.00 31.68 O ATOM 2010 CB TYR D 78 24.853 7.814 19.211 1.00 31.39 C ATOM 2011 CG TYR D 78 26.113 8.097 18.426 1.00 30.52 C ATOM 2012 CD1 TYR D 78 27.359 8.185 19.069 1.00 30.75 C ATOM 2013 CD2 TYR D 78 26.068 8.279 17.032 1.00 29.75 C ATOM 2014 CE1 TYR D 78 28.527 8.446 18.346 1.00 30.18 C ATOM 2015 CE2 TYR D 78 27.231 8.539 16.303 1.00 29.19 C ATOM 2016 CZ TYR D 78 28.456 8.622 16.963 1.00 29.37 C ATOM 2017 OH TYR D 78 29.604 8.879 16.247 1.00 29.07 O ATOM 0 H TYR D 78 23.888 5.792 18.124 1.00 28.62 H new ATOM 0 HA TYR D 78 25.853 6.185 20.197 1.00 30.06 H new ATOM 0 HB2 TYR D 78 23.994 7.893 18.545 1.00 31.39 H new ATOM 0 HB3 TYR D 78 24.733 8.579 19.978 1.00 31.39 H new ATOM 0 HD1 TYR D 78 27.416 8.049 20.139 1.00 30.75 H new ATOM 0 HD2 TYR D 78 25.120 8.217 16.518 1.00 29.75 H new ATOM 0 HE1 TYR D 78 29.478 8.511 18.854 1.00 30.18 H new ATOM 0 HE2 TYR D 78 27.181 8.675 15.233 1.00 29.19 H new ATOM 0 HH TYR D 78 29.513 8.517 15.341 1.00 29.07 H new ATOM 2027 N LYS D 79 22.650 6.683 20.887 1.00 33.92 N ATOM 2028 CA LYS D 79 21.686 6.726 21.979 1.00 35.96 C ATOM 2029 C LYS D 79 21.766 5.456 22.820 1.00 36.13 C ATOM 2030 O LYS D 79 21.486 5.474 24.019 1.00 36.11 O ATOM 2031 CB LYS D 79 20.267 6.900 21.432 1.00 36.13 C ATOM 2032 CG LYS D 79 19.840 5.791 20.487 1.00 36.43 C ATOM 2033 CD LYS D 79 19.054 4.712 21.215 1.00 38.25 C ATOM 2034 CE LYS D 79 17.622 5.149 21.477 1.00 38.97 C ATOM 2035 NZ LYS D 79 16.860 4.125 22.243 1.00 40.78 N ATOM 0 H LYS D 79 22.248 6.839 19.963 1.00 33.92 H new ATOM 0 HA LYS D 79 21.929 7.579 22.612 1.00 35.96 H new ATOM 0 HB2 LYS D 79 19.568 6.944 22.267 1.00 36.13 H new ATOM 0 HB3 LYS D 79 20.202 7.855 20.911 1.00 36.13 H new ATOM 0 HG2 LYS D 79 19.231 6.209 19.686 1.00 36.43 H new ATOM 0 HG3 LYS D 79 20.721 5.349 20.021 1.00 36.43 H new ATOM 0 HD2 LYS D 79 19.054 3.797 20.622 1.00 38.25 H new ATOM 0 HD3 LYS D 79 19.543 4.479 22.161 1.00 38.25 H new ATOM 0 HE2 LYS D 79 17.625 6.088 22.030 1.00 38.97 H new ATOM 0 HE3 LYS D 79 17.121 5.339 20.528 1.00 38.97 H new ATOM 0 HZ1 LYS D 79 15.889 4.461 22.401 1.00 40.78 H new ATOM 0 HZ2 LYS D 79 16.835 3.236 21.704 1.00 40.78 H new ATOM 0 HZ3 LYS D 79 17.323 3.962 23.160 1.00 40.78 H new