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 156:sc= -0.717 (180deg=-3.06!) USER MOD Set 1.2: C 73 THR OG1 : rot 87:sc= 0.404 USER MOD Set 2.1: B 73 THR OG1 : rot 87:sc= 0.266 USER MOD Set 2.2: D 62 GLN : amide:sc= -3.84 K(o=-3.6,f=-5.9!) USER MOD Set 3.1: B 62 GLN : amide:sc= -3.76 K(o=-3.5,f=-5.8!) USER MOD Set 3.2: D 73 THR OG1 : rot 87:sc= 0.291 USER MOD Set 4.1: A 73 THR OG1 : rot 88:sc= 0.395 USER MOD Set 4.2: C 69 MET CE :methyl 155:sc= -0.897 (180deg=-3.12!) USER MOD Single : A 62 GLN : amide:sc= -0.0712 K(o=-0.071,f=-1.3) USER MOD Single : A 63 SER OG : rot 9:sc= -0.387 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -89:sc= -2.52 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 65:sc= 0.735 USER MOD Single : B 63 SER OG : rot -72:sc= -1.27! 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 140:sc= -6.42! (180deg=-12.1!) USER MOD Single : B 75 LYS NZ :NH3+ -147:sc= 0.00242 (180deg=0) USER MOD Single : B 78 TYR OH : rot 100:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.4) USER MOD Single : C 63 SER OG : rot 4:sc= -0.388 USER MOD Single : C 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 78 TYR OH : rot -82:sc= -2.51 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 62:sc= 0.589 USER MOD Single : D 63 SER OG : rot -71:sc= -1.17 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 140:sc= -6.63! (180deg=-12.1!) USER MOD Single : D 75 LYS NZ :NH3+ -153:sc= 0.00251 (180deg=0) USER MOD Single : D 78 TYR OH : rot 100:sc= 0 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.964 -12.484 -17.078 1.00 31.48 N ATOM 54 CA ALA A 55 24.581 -11.135 -16.687 1.00 29.29 C ATOM 55 C ALA A 55 23.851 -11.148 -15.349 1.00 27.24 C ATOM 56 O ALA A 55 24.072 -10.283 -14.502 1.00 26.02 O ATOM 57 CB ALA A 55 23.711 -10.499 -17.760 1.00 28.19 C ATOM 0 HA ALA A 55 25.488 -10.540 -16.576 1.00 29.29 H new ATOM 0 HB1 ALA A 55 23.433 -9.491 -17.453 1.00 28.19 H new ATOM 0 HB2 ALA A 55 24.265 -10.453 -18.698 1.00 28.19 H new ATOM 0 HB3 ALA A 55 22.810 -11.097 -17.900 1.00 28.19 H new ATOM 63 N GLU A 56 22.987 -12.141 -15.164 1.00 27.06 N ATOM 64 CA GLU A 56 22.231 -12.273 -13.925 1.00 25.40 C ATOM 65 C GLU A 56 23.158 -12.630 -12.770 1.00 26.18 C ATOM 66 O GLU A 56 23.141 -11.983 -11.723 1.00 26.23 O ATOM 67 CB GLU A 56 21.145 -13.340 -14.073 1.00 25.72 C ATOM 68 CG GLU A 56 20.278 -13.503 -12.835 1.00 26.06 C ATOM 69 CD GLU A 56 20.711 -14.670 -11.970 1.00 27.54 C ATOM 70 OE1 GLU A 56 20.244 -15.801 -12.223 1.00 28.09 O ATOM 71 OE2 GLU A 56 21.514 -14.454 -11.039 1.00 28.30 O ATOM 0 H GLU A 56 22.794 -12.865 -15.856 1.00 27.06 H new ATOM 0 HA GLU A 56 21.756 -11.316 -13.710 1.00 25.40 H new ATOM 0 HB2 GLU A 56 20.509 -13.084 -14.920 1.00 25.72 H new ATOM 0 HB3 GLU A 56 21.616 -14.295 -14.305 1.00 25.72 H new ATOM 0 HG2 GLU A 56 20.315 -12.586 -12.247 1.00 26.06 H new ATOM 0 HG3 GLU A 56 19.241 -13.646 -13.138 1.00 26.06 H new ATOM 78 N ARG A 57 23.971 -13.658 -12.974 1.00 26.88 N ATOM 79 CA ARG A 57 24.915 -14.098 -11.956 1.00 27.70 C ATOM 80 C ARG A 57 25.935 -13.003 -11.672 1.00 27.90 C ATOM 81 O ARG A 57 26.247 -12.711 -10.518 1.00 28.42 O ATOM 82 CB ARG A 57 25.628 -15.376 -12.404 1.00 28.15 C ATOM 83 CG ARG A 57 24.683 -16.538 -12.668 1.00 26.92 C ATOM 84 CD ARG A 57 24.761 -17.580 -11.564 1.00 26.05 C ATOM 85 NE ARG A 57 24.609 -18.938 -12.081 1.00 26.27 N ATOM 86 CZ ARG A 57 24.315 -19.987 -11.321 1.00 24.94 C ATOM 87 NH1 ARG A 57 24.138 -19.835 -10.016 1.00 23.35 N ATOM 88 NH2 ARG A 57 24.196 -21.190 -11.865 1.00 25.29 N ATOM 0 H ARG A 57 23.996 -14.203 -13.836 1.00 26.88 H new ATOM 0 HA ARG A 57 24.361 -14.309 -11.041 1.00 27.70 H new ATOM 0 HB2 ARG A 57 26.196 -15.167 -13.311 1.00 28.15 H new ATOM 0 HB3 ARG A 57 26.346 -15.669 -11.638 1.00 28.15 H new ATOM 0 HG2 ARG A 57 23.661 -16.167 -12.748 1.00 26.92 H new ATOM 0 HG3 ARG A 57 24.930 -17.000 -13.624 1.00 26.92 H new ATOM 0 HD2 ARG A 57 25.718 -17.493 -11.050 1.00 26.05 H new ATOM 0 HD3 ARG A 57 23.984 -17.384 -10.825 1.00 26.05 H new ATOM 0 HE ARG A 57 24.736 -19.089 -13.082 1.00 26.27 H new ATOM 0 HH11 ARG A 57 24.227 -18.911 -9.593 1.00 23.35 H new ATOM 0 HH12 ARG A 57 23.912 -20.642 -9.435 1.00 23.35 H new ATOM 0 HH21 ARG A 57 24.330 -21.311 -12.869 1.00 25.29 H new ATOM 0 HH22 ARG A 57 23.970 -21.994 -11.280 1.00 25.29 H new ATOM 102 N LEU A 58 26.443 -12.394 -12.737 1.00 27.51 N ATOM 103 CA LEU A 58 27.420 -11.321 -12.611 1.00 27.66 C ATOM 104 C LEU A 58 26.893 -10.227 -11.690 1.00 25.06 C ATOM 105 O LEU A 58 27.573 -9.809 -10.753 1.00 23.70 O ATOM 106 CB LEU A 58 27.743 -10.733 -13.987 1.00 28.67 C ATOM 107 CG LEU A 58 28.866 -11.440 -14.745 1.00 29.46 C ATOM 108 CD1 LEU A 58 29.211 -10.682 -16.018 1.00 28.84 C ATOM 109 CD2 LEU A 58 30.093 -11.586 -13.860 1.00 30.46 C ATOM 0 H LEU A 58 26.194 -12.626 -13.698 1.00 27.51 H new ATOM 0 HA LEU A 58 28.332 -11.734 -12.180 1.00 27.66 H new ATOM 0 HB2 LEU A 58 26.840 -10.759 -14.598 1.00 28.67 H new ATOM 0 HB3 LEU A 58 28.013 -9.684 -13.863 1.00 28.67 H new ATOM 0 HG LEU A 58 28.521 -12.436 -15.023 1.00 29.46 H new ATOM 0 HD11 LEU A 58 30.013 -11.200 -16.544 1.00 28.84 H new ATOM 0 HD12 LEU A 58 28.331 -10.628 -16.659 1.00 28.84 H new ATOM 0 HD13 LEU A 58 29.537 -9.673 -15.764 1.00 28.84 H new ATOM 0 HD21 LEU A 58 30.884 -12.091 -14.415 1.00 30.46 H new ATOM 0 HD22 LEU A 58 30.439 -10.599 -13.552 1.00 30.46 H new ATOM 0 HD23 LEU A 58 29.837 -12.172 -12.977 1.00 30.46 H new ATOM 121 N ALA A 59 25.675 -9.771 -11.963 1.00 24.51 N ATOM 122 CA ALA A 59 25.051 -8.730 -11.159 1.00 22.13 C ATOM 123 C ALA A 59 25.098 -9.087 -9.678 1.00 21.27 C ATOM 124 O ALA A 59 25.305 -8.223 -8.825 1.00 20.84 O ATOM 125 CB ALA A 59 23.613 -8.509 -11.606 1.00 20.32 C ATOM 0 H ALA A 59 25.101 -10.107 -12.736 1.00 24.51 H new ATOM 0 HA ALA A 59 25.609 -7.805 -11.304 1.00 22.13 H new ATOM 0 HB1 ALA A 59 23.158 -7.728 -10.996 1.00 20.32 H new ATOM 0 HB2 ALA A 59 23.600 -8.206 -12.653 1.00 20.32 H new ATOM 0 HB3 ALA A 59 23.049 -9.435 -11.489 1.00 20.32 H new ATOM 131 N ASP A 60 24.909 -10.368 -9.381 1.00 21.44 N ATOM 132 CA ASP A 60 24.932 -10.846 -8.004 1.00 21.21 C ATOM 133 C ASP A 60 26.367 -11.035 -7.524 1.00 20.81 C ATOM 134 O ASP A 60 26.649 -10.953 -6.328 1.00 20.75 O ATOM 135 CB ASP A 60 24.164 -12.164 -7.886 1.00 22.92 C ATOM 136 CG ASP A 60 23.302 -12.221 -6.640 1.00 23.49 C ATOM 137 OD1 ASP A 60 22.530 -11.266 -6.409 1.00 22.53 O ATOM 138 OD2 ASP A 60 23.395 -13.221 -5.898 1.00 24.97 O ATOM 0 H ASP A 60 24.738 -11.094 -10.076 1.00 21.44 H new ATOM 0 HA ASP A 60 24.450 -10.098 -7.375 1.00 21.21 H new ATOM 0 HB2 ASP A 60 23.535 -12.295 -8.766 1.00 22.92 H new ATOM 0 HB3 ASP A 60 24.871 -12.994 -7.874 1.00 22.92 H new ATOM 143 N GLU A 61 27.271 -11.284 -8.466 1.00 20.80 N ATOM 144 CA GLU A 61 28.679 -11.482 -8.142 1.00 20.44 C ATOM 145 C GLU A 61 29.336 -10.160 -7.766 1.00 19.01 C ATOM 146 O GLU A 61 29.982 -10.048 -6.724 1.00 18.60 O ATOM 147 CB GLU A 61 29.413 -12.113 -9.326 1.00 21.34 C ATOM 148 CG GLU A 61 30.560 -13.024 -8.917 1.00 23.32 C ATOM 149 CD GLU A 61 31.184 -13.738 -10.099 1.00 25.02 C ATOM 150 OE1 GLU A 61 30.545 -13.783 -11.171 1.00 24.83 O ATOM 151 OE2 GLU A 61 32.313 -14.252 -9.954 1.00 26.60 O ATOM 0 H GLU A 61 27.053 -11.353 -9.460 1.00 20.80 H new ATOM 0 HA GLU A 61 28.741 -12.156 -7.287 1.00 20.44 H new ATOM 0 HB2 GLU A 61 28.701 -12.685 -9.921 1.00 21.34 H new ATOM 0 HB3 GLU A 61 29.800 -11.321 -9.967 1.00 21.34 H new ATOM 0 HG2 GLU A 61 31.323 -12.436 -8.408 1.00 23.32 H new ATOM 0 HG3 GLU A 61 30.196 -13.762 -8.202 1.00 23.32 H new ATOM 158 N GLN A 62 29.164 -9.160 -8.622 1.00 18.69 N ATOM 159 CA GLN A 62 29.735 -7.841 -8.382 1.00 17.85 C ATOM 160 C GLN A 62 29.175 -7.235 -7.100 1.00 17.20 C ATOM 161 O GLN A 62 29.883 -6.548 -6.364 1.00 17.73 O ATOM 162 CB GLN A 62 29.452 -6.916 -9.567 1.00 16.26 C ATOM 163 CG GLN A 62 29.864 -7.499 -10.909 1.00 16.80 C ATOM 164 CD GLN A 62 31.367 -7.630 -11.051 1.00 16.67 C ATOM 165 OE1 GLN A 62 32.129 -7.054 -10.273 1.00 16.13 O ATOM 166 NE2 GLN A 62 31.803 -8.389 -12.050 1.00 17.40 N ATOM 0 H GLN A 62 28.633 -9.238 -9.489 1.00 18.69 H new ATOM 0 HA GLN A 62 30.814 -7.952 -8.270 1.00 17.85 H new ATOM 0 HB2 GLN A 62 28.387 -6.687 -9.592 1.00 16.26 H new ATOM 0 HB3 GLN A 62 29.977 -5.973 -9.414 1.00 16.26 H new ATOM 0 HG2 GLN A 62 29.404 -8.480 -11.031 1.00 16.80 H new ATOM 0 HG3 GLN A 62 29.481 -6.866 -11.709 1.00 16.80 H new ATOM 0 HE21 GLN A 62 31.136 -8.848 -12.671 1.00 17.40 H new ATOM 0 HE22 GLN A 62 32.805 -8.513 -12.197 1.00 17.40 H new ATOM 175 N SER A 63 27.899 -7.498 -6.837 1.00 16.33 N ATOM 176 CA SER A 63 27.245 -6.982 -5.641 1.00 15.69 C ATOM 177 C SER A 63 27.869 -7.582 -4.386 1.00 14.79 C ATOM 178 O SER A 63 28.013 -6.904 -3.368 1.00 13.84 O ATOM 179 CB SER A 63 25.747 -7.290 -5.679 1.00 15.75 C ATOM 180 OG SER A 63 25.515 -8.663 -5.943 1.00 15.71 O ATOM 0 H SER A 63 27.298 -8.065 -7.436 1.00 16.33 H new ATOM 0 HA SER A 63 27.383 -5.901 -5.616 1.00 15.69 H new ATOM 0 HB2 SER A 63 25.292 -7.018 -4.727 1.00 15.75 H new ATOM 0 HB3 SER A 63 25.267 -6.683 -6.446 1.00 15.75 H new ATOM 0 HG SER A 63 26.364 -9.151 -5.906 1.00 15.71 H new ATOM 186 N GLU A 64 28.245 -8.854 -4.467 1.00 15.14 N ATOM 187 CA GLU A 64 28.858 -9.542 -3.337 1.00 14.40 C ATOM 188 C GLU A 64 30.100 -8.796 -2.863 1.00 13.65 C ATOM 189 O GLU A 64 30.208 -8.430 -1.693 1.00 12.17 O ATOM 190 CB GLU A 64 29.224 -10.977 -3.723 1.00 14.99 C ATOM 191 CG GLU A 64 29.768 -11.799 -2.565 1.00 15.50 C ATOM 192 CD GLU A 64 30.952 -12.656 -2.967 1.00 18.09 C ATOM 193 OE1 GLU A 64 30.935 -13.202 -4.090 1.00 18.52 O ATOM 194 OE2 GLU A 64 31.897 -12.780 -2.158 1.00 19.84 O ATOM 0 H GLU A 64 28.136 -9.429 -5.303 1.00 15.14 H new ATOM 0 HA GLU A 64 28.136 -9.569 -2.521 1.00 14.40 H new ATOM 0 HB2 GLU A 64 28.341 -11.472 -4.126 1.00 14.99 H new ATOM 0 HB3 GLU A 64 29.967 -10.952 -4.520 1.00 14.99 H new ATOM 0 HG2 GLU A 64 30.065 -11.130 -1.757 1.00 15.50 H new ATOM 0 HG3 GLU A 64 28.977 -12.439 -2.174 1.00 15.50 H new ATOM 201 N LEU A 65 31.035 -8.570 -3.781 1.00 14.88 N ATOM 202 CA LEU A 65 32.268 -7.861 -3.457 1.00 14.33 C ATOM 203 C LEU A 65 31.960 -6.547 -2.747 1.00 12.56 C ATOM 204 O LEU A 65 32.670 -6.146 -1.825 1.00 13.49 O ATOM 205 CB LEU A 65 33.078 -7.593 -4.726 1.00 14.54 C ATOM 206 CG LEU A 65 33.579 -8.844 -5.450 1.00 16.50 C ATOM 207 CD1 LEU A 65 33.318 -8.737 -6.944 1.00 17.22 C ATOM 208 CD2 LEU A 65 35.061 -9.056 -5.179 1.00 18.90 C ATOM 0 H LEU A 65 30.962 -8.867 -4.754 1.00 14.88 H new ATOM 0 HA LEU A 65 32.858 -8.489 -2.789 1.00 14.33 H new ATOM 0 HB2 LEU A 65 32.464 -7.014 -5.416 1.00 14.54 H new ATOM 0 HB3 LEU A 65 33.936 -6.973 -4.467 1.00 14.54 H new ATOM 0 HG LEU A 65 33.032 -9.706 -5.069 1.00 16.50 H new ATOM 0 HD11 LEU A 65 33.681 -9.636 -7.442 1.00 17.22 H new ATOM 0 HD12 LEU A 65 32.247 -8.632 -7.120 1.00 17.22 H new ATOM 0 HD13 LEU A 65 33.838 -7.866 -7.343 1.00 17.22 H new ATOM 0 HD21 LEU A 65 35.402 -9.950 -5.701 1.00 18.90 H new ATOM 0 HD22 LEU A 65 35.623 -8.192 -5.534 1.00 18.90 H new ATOM 0 HD23 LEU A 65 35.221 -9.178 -4.108 1.00 18.90 H new ATOM 220 N VAL A 66 30.894 -5.884 -3.183 1.00 10.35 N ATOM 221 CA VAL A 66 30.485 -4.619 -2.592 1.00 8.82 C ATOM 222 C VAL A 66 29.940 -4.827 -1.184 1.00 8.16 C ATOM 223 O VAL A 66 30.355 -4.155 -0.240 1.00 9.44 O ATOM 224 CB VAL A 66 29.413 -3.920 -3.451 1.00 8.93 C ATOM 225 CG1 VAL A 66 28.991 -2.601 -2.819 1.00 8.28 C ATOM 226 CG2 VAL A 66 29.925 -3.702 -4.867 1.00 10.02 C ATOM 0 H VAL A 66 30.297 -6.204 -3.946 1.00 10.35 H new ATOM 0 HA VAL A 66 31.371 -3.985 -2.546 1.00 8.82 H new ATOM 0 HB VAL A 66 28.536 -4.566 -3.500 1.00 8.93 H new ATOM 0 HG11 VAL A 66 28.234 -2.125 -3.442 1.00 8.28 H new ATOM 0 HG12 VAL A 66 28.580 -2.788 -1.827 1.00 8.28 H new ATOM 0 HG13 VAL A 66 29.857 -1.944 -2.735 1.00 8.28 H new ATOM 0 HG21 VAL A 66 29.156 -3.207 -5.460 1.00 10.02 H new ATOM 0 HG22 VAL A 66 30.818 -3.078 -4.839 1.00 10.02 H new ATOM 0 HG23 VAL A 66 30.168 -4.664 -5.318 1.00 10.02 H new ATOM 236 N LYS A 67 29.007 -5.765 -1.050 1.00 6.92 N ATOM 237 CA LYS A 67 28.404 -6.066 0.243 1.00 7.67 C ATOM 238 C LYS A 67 29.469 -6.464 1.258 1.00 9.65 C ATOM 239 O LYS A 67 29.421 -6.053 2.417 1.00 10.90 O ATOM 240 CB LYS A 67 27.373 -7.188 0.100 1.00 9.09 C ATOM 241 CG LYS A 67 26.808 -7.666 1.428 1.00 9.54 C ATOM 242 CD LYS A 67 26.056 -8.978 1.272 1.00 11.25 C ATOM 243 CE LYS A 67 25.774 -9.623 2.619 1.00 13.66 C ATOM 244 NZ LYS A 67 26.829 -10.604 2.997 1.00 15.84 N ATOM 0 H LYS A 67 28.652 -6.330 -1.822 1.00 6.92 H new ATOM 0 HA LYS A 67 27.903 -5.167 0.602 1.00 7.67 H new ATOM 0 HB2 LYS A 67 26.554 -6.840 -0.530 1.00 9.09 H new ATOM 0 HB3 LYS A 67 27.834 -8.031 -0.414 1.00 9.09 H new ATOM 0 HG2 LYS A 67 27.619 -7.793 2.145 1.00 9.54 H new ATOM 0 HG3 LYS A 67 26.139 -6.908 1.834 1.00 9.54 H new ATOM 0 HD2 LYS A 67 25.116 -8.800 0.749 1.00 11.25 H new ATOM 0 HD3 LYS A 67 26.639 -9.662 0.655 1.00 11.25 H new ATOM 0 HE2 LYS A 67 25.706 -8.850 3.384 1.00 13.66 H new ATOM 0 HE3 LYS A 67 24.807 -10.125 2.586 1.00 13.66 H new ATOM 0 HZ1 LYS A 67 26.600 -11.021 3.922 1.00 15.84 H new ATOM 0 HZ2 LYS A 67 26.877 -11.356 2.280 1.00 15.84 H new ATOM 0 HZ3 LYS A 67 27.748 -10.121 3.054 1.00 15.84 H new ATOM 258 N LYS A 68 30.432 -7.264 0.813 1.00 10.17 N ATOM 259 CA LYS A 68 31.512 -7.712 1.684 1.00 12.08 C ATOM 260 C LYS A 68 32.303 -6.522 2.213 1.00 10.81 C ATOM 261 O LYS A 68 32.719 -6.505 3.371 1.00 11.45 O ATOM 262 CB LYS A 68 32.442 -8.667 0.934 1.00 14.54 C ATOM 263 CG LYS A 68 33.678 -9.058 1.727 1.00 16.57 C ATOM 264 CD LYS A 68 34.041 -10.518 1.511 1.00 18.36 C ATOM 265 CE LYS A 68 34.630 -10.747 0.128 1.00 19.63 C ATOM 266 NZ LYS A 68 34.688 -12.195 -0.218 1.00 22.14 N ATOM 0 H LYS A 68 30.487 -7.615 -0.143 1.00 10.17 H new ATOM 0 HA LYS A 68 31.071 -8.241 2.529 1.00 12.08 H new ATOM 0 HB2 LYS A 68 31.889 -9.569 0.671 1.00 14.54 H new ATOM 0 HB3 LYS A 68 32.753 -8.200 -0.001 1.00 14.54 H new ATOM 0 HG2 LYS A 68 34.516 -8.426 1.431 1.00 16.57 H new ATOM 0 HG3 LYS A 68 33.502 -8.879 2.788 1.00 16.57 H new ATOM 0 HD2 LYS A 68 34.758 -10.832 2.270 1.00 18.36 H new ATOM 0 HD3 LYS A 68 33.153 -11.137 1.636 1.00 18.36 H new ATOM 0 HE2 LYS A 68 34.030 -10.220 -0.614 1.00 19.63 H new ATOM 0 HE3 LYS A 68 35.633 -10.323 0.086 1.00 19.63 H new ATOM 0 HZ1 LYS A 68 35.095 -12.309 -1.168 1.00 22.14 H new ATOM 0 HZ2 LYS A 68 35.281 -12.694 0.475 1.00 22.14 H new ATOM 0 HZ3 LYS A 68 33.728 -12.594 -0.203 1.00 22.14 H new ATOM 280 N MET A 69 32.501 -5.524 1.358 1.00 9.14 N ATOM 281 CA MET A 69 33.235 -4.324 1.740 1.00 8.06 C ATOM 282 C MET A 69 32.490 -3.566 2.831 1.00 6.01 C ATOM 283 O MET A 69 33.088 -3.119 3.812 1.00 5.49 O ATOM 284 CB MET A 69 33.445 -3.421 0.524 1.00 7.62 C ATOM 285 CG MET A 69 34.086 -2.084 0.861 1.00 6.25 C ATOM 286 SD MET A 69 34.344 -1.051 -0.594 1.00 7.90 S ATOM 287 CE MET A 69 32.707 -1.070 -1.320 1.00 8.83 C ATOM 0 H MET A 69 32.163 -5.523 0.396 1.00 9.14 H new ATOM 0 HA MET A 69 34.208 -4.625 2.128 1.00 8.06 H new ATOM 0 HB2 MET A 69 34.071 -3.942 -0.201 1.00 7.62 H new ATOM 0 HB3 MET A 69 32.483 -3.242 0.044 1.00 7.62 H new ATOM 0 HG2 MET A 69 33.454 -1.552 1.572 1.00 6.25 H new ATOM 0 HG3 MET A 69 35.043 -2.258 1.353 1.00 6.25 H new ATOM 0 HE1 MET A 69 32.575 -0.185 -1.943 1.00 8.83 H new ATOM 0 HE2 MET A 69 32.590 -1.965 -1.931 1.00 8.83 H new ATOM 0 HE3 MET A 69 31.958 -1.071 -0.528 1.00 8.83 H new ATOM 297 N VAL A 70 31.179 -3.425 2.656 1.00 5.91 N ATOM 298 CA VAL A 70 30.351 -2.723 3.625 1.00 5.21 C ATOM 299 C VAL A 70 30.285 -3.487 4.942 1.00 6.84 C ATOM 300 O VAL A 70 30.388 -2.897 6.015 1.00 7.30 O ATOM 301 CB VAL A 70 28.922 -2.498 3.088 1.00 5.01 C ATOM 302 CG1 VAL A 70 28.032 -1.860 4.148 1.00 4.14 C ATOM 303 CG2 VAL A 70 28.960 -1.639 1.837 1.00 4.25 C ATOM 0 H VAL A 70 30.669 -3.789 1.851 1.00 5.91 H new ATOM 0 HA VAL A 70 30.815 -1.752 3.799 1.00 5.21 H new ATOM 0 HB VAL A 70 28.497 -3.469 2.834 1.00 5.01 H new ATOM 0 HG11 VAL A 70 27.031 -1.713 3.742 1.00 4.14 H new ATOM 0 HG12 VAL A 70 27.978 -2.513 5.019 1.00 4.14 H new ATOM 0 HG13 VAL A 70 28.449 -0.897 4.442 1.00 4.14 H new ATOM 0 HG21 VAL A 70 27.945 -1.488 1.468 1.00 4.25 H new ATOM 0 HG22 VAL A 70 29.408 -0.674 2.072 1.00 4.25 H new ATOM 0 HG23 VAL A 70 29.554 -2.138 1.071 1.00 4.25 H new ATOM 313 N PHE A 71 30.111 -4.802 4.859 1.00 8.57 N ATOM 314 CA PHE A 71 30.035 -5.624 6.058 1.00 10.72 C ATOM 315 C PHE A 71 31.245 -5.382 6.951 1.00 10.25 C ATOM 316 O PHE A 71 31.108 -4.951 8.093 1.00 11.04 O ATOM 317 CB PHE A 71 29.941 -7.108 5.703 1.00 13.27 C ATOM 318 CG PHE A 71 29.963 -8.000 6.911 1.00 15.08 C ATOM 319 CD1 PHE A 71 29.124 -7.735 8.002 1.00 16.55 C ATOM 320 CD2 PHE A 71 30.829 -9.100 6.974 1.00 15.69 C ATOM 321 CE1 PHE A 71 29.147 -8.553 9.134 1.00 18.40 C ATOM 322 CE2 PHE A 71 30.856 -9.923 8.103 1.00 17.63 C ATOM 323 CZ PHE A 71 30.013 -9.647 9.186 1.00 18.89 C ATOM 0 H PHE A 71 30.021 -5.316 3.983 1.00 8.57 H new ATOM 0 HA PHE A 71 29.132 -5.340 6.598 1.00 10.72 H new ATOM 0 HB2 PHE A 71 29.023 -7.285 5.143 1.00 13.27 H new ATOM 0 HB3 PHE A 71 30.770 -7.373 5.047 1.00 13.27 H new ATOM 0 HD1 PHE A 71 28.453 -6.890 7.967 1.00 16.55 H new ATOM 0 HD2 PHE A 71 31.482 -9.314 6.141 1.00 15.69 H new ATOM 0 HE1 PHE A 71 28.495 -8.339 9.968 1.00 18.40 H new ATOM 0 HE2 PHE A 71 31.525 -10.770 8.140 1.00 17.63 H new ATOM 0 HZ PHE A 71 30.032 -10.280 10.061 1.00 18.89 H new ATOM 333 N ASP A 72 32.433 -5.660 6.424 1.00 9.47 N ATOM 334 CA ASP A 72 33.664 -5.466 7.179 1.00 8.96 C ATOM 335 C ASP A 72 33.736 -4.046 7.730 1.00 7.15 C ATOM 336 O ASP A 72 34.119 -3.835 8.881 1.00 6.80 O ATOM 337 CB ASP A 72 34.882 -5.750 6.298 1.00 8.53 C ATOM 338 CG ASP A 72 36.130 -6.034 7.111 1.00 10.07 C ATOM 339 OD1 ASP A 72 36.364 -7.213 7.449 1.00 11.53 O ATOM 340 OD2 ASP A 72 36.875 -5.076 7.408 1.00 10.08 O ATOM 0 H ASP A 72 32.569 -6.020 5.479 1.00 9.47 H new ATOM 0 HA ASP A 72 33.666 -6.165 8.015 1.00 8.96 H new ATOM 0 HB2 ASP A 72 34.670 -6.603 5.653 1.00 8.53 H new ATOM 0 HB3 ASP A 72 35.063 -4.895 5.646 1.00 8.53 H new ATOM 345 N THR A 73 33.358 -3.076 6.905 1.00 6.88 N ATOM 346 CA THR A 73 33.373 -1.678 7.314 1.00 6.74 C ATOM 347 C THR A 73 32.331 -1.434 8.401 1.00 9.67 C ATOM 348 O THR A 73 32.670 -1.188 9.559 1.00 10.63 O ATOM 349 CB THR A 73 33.107 -0.767 6.109 1.00 5.78 C ATOM 350 OG1 THR A 73 34.208 -0.783 5.218 1.00 5.50 O ATOM 351 CG2 THR A 73 32.843 0.680 6.482 1.00 7.14 C ATOM 0 H THR A 73 33.038 -3.233 5.949 1.00 6.88 H new ATOM 0 HA THR A 73 34.359 -1.444 7.716 1.00 6.74 H new ATOM 0 HB THR A 73 32.208 -1.170 5.643 1.00 5.78 H new ATOM 0 HG1 THR A 73 34.102 -1.520 4.581 1.00 5.50 H new ATOM 0 HG21 THR A 73 32.664 1.262 5.578 1.00 7.14 H new ATOM 0 HG22 THR A 73 31.967 0.735 7.129 1.00 7.14 H new ATOM 0 HG23 THR A 73 33.708 1.084 7.008 1.00 7.14 H new ATOM 359 N LEU A 74 31.060 -1.506 8.018 1.00 11.21 N ATOM 360 CA LEU A 74 29.967 -1.295 8.957 1.00 14.03 C ATOM 361 C LEU A 74 30.140 -2.152 10.205 1.00 15.83 C ATOM 362 O LEU A 74 29.834 -1.718 11.314 1.00 18.05 O ATOM 363 CB LEU A 74 28.627 -1.598 8.287 1.00 14.60 C ATOM 364 CG LEU A 74 28.222 -0.622 7.178 1.00 14.87 C ATOM 365 CD1 LEU A 74 26.738 -0.741 6.885 1.00 17.22 C ATOM 366 CD2 LEU A 74 28.580 0.808 7.563 1.00 14.88 C ATOM 0 H LEU A 74 30.763 -1.709 7.064 1.00 11.21 H new ATOM 0 HA LEU A 74 29.982 -0.249 9.262 1.00 14.03 H new ATOM 0 HB2 LEU A 74 28.666 -2.604 7.869 1.00 14.60 H new ATOM 0 HB3 LEU A 74 27.849 -1.600 9.050 1.00 14.60 H new ATOM 0 HG LEU A 74 28.774 -0.879 6.274 1.00 14.87 H new ATOM 0 HD11 LEU A 74 26.466 -0.041 6.095 1.00 17.22 H new ATOM 0 HD12 LEU A 74 26.511 -1.757 6.563 1.00 17.22 H new ATOM 0 HD13 LEU A 74 26.170 -0.510 7.786 1.00 17.22 H new ATOM 0 HD21 LEU A 74 28.284 1.485 6.762 1.00 14.88 H new ATOM 0 HD22 LEU A 74 28.057 1.080 8.480 1.00 14.88 H new ATOM 0 HD23 LEU A 74 29.656 0.883 7.723 1.00 14.88 H new ATOM 378 N LYS A 75 30.642 -3.367 10.018 1.00 15.26 N ATOM 379 CA LYS A 75 30.867 -4.277 11.135 1.00 17.41 C ATOM 380 C LYS A 75 31.703 -3.591 12.207 1.00 17.81 C ATOM 381 O LYS A 75 31.206 -3.252 13.281 1.00 19.94 O ATOM 382 CB LYS A 75 31.573 -5.548 10.651 1.00 17.26 C ATOM 383 CG LYS A 75 32.090 -6.434 11.773 1.00 17.46 C ATOM 384 CD LYS A 75 32.082 -7.903 11.378 1.00 18.11 C ATOM 385 CE LYS A 75 33.469 -8.517 11.482 1.00 19.50 C ATOM 386 NZ LYS A 75 33.530 -9.577 12.526 1.00 20.97 N ATOM 0 H LYS A 75 30.900 -3.744 9.106 1.00 15.26 H new ATOM 0 HA LYS A 75 29.903 -4.553 11.561 1.00 17.41 H new ATOM 0 HB2 LYS A 75 30.881 -6.124 10.037 1.00 17.26 H new ATOM 0 HB3 LYS A 75 32.409 -5.266 10.011 1.00 17.26 H new ATOM 0 HG2 LYS A 75 33.104 -6.133 12.036 1.00 17.46 H new ATOM 0 HG3 LYS A 75 31.475 -6.293 12.662 1.00 17.46 H new ATOM 0 HD2 LYS A 75 31.392 -8.450 12.021 1.00 18.11 H new ATOM 0 HD3 LYS A 75 31.714 -8.004 10.357 1.00 18.11 H new ATOM 0 HE2 LYS A 75 33.752 -8.940 10.518 1.00 19.50 H new ATOM 0 HE3 LYS A 75 34.195 -7.737 11.713 1.00 19.50 H new ATOM 0 HZ1 LYS A 75 34.492 -9.970 12.566 1.00 20.97 H new ATOM 0 HZ2 LYS A 75 33.285 -9.168 13.450 1.00 20.97 H new ATOM 0 HZ3 LYS A 75 32.856 -10.334 12.292 1.00 20.97 H new ATOM 400 N ASP A 76 32.976 -3.387 11.897 1.00 15.76 N ATOM 401 CA ASP A 76 33.895 -2.738 12.823 1.00 15.92 C ATOM 402 C ASP A 76 33.436 -1.317 13.141 1.00 16.16 C ATOM 403 O ASP A 76 33.653 -0.818 14.246 1.00 17.38 O ATOM 404 CB ASP A 76 35.308 -2.708 12.234 1.00 13.69 C ATOM 405 CG ASP A 76 36.374 -2.967 13.282 1.00 12.87 C ATOM 406 OD1 ASP A 76 36.222 -3.935 14.056 1.00 13.53 O ATOM 407 OD2 ASP A 76 37.359 -2.202 13.328 1.00 11.64 O ATOM 0 H ASP A 76 33.397 -3.662 11.010 1.00 15.76 H new ATOM 0 HA ASP A 76 33.905 -3.314 13.749 1.00 15.92 H new ATOM 0 HB2 ASP A 76 35.387 -3.457 11.446 1.00 13.69 H new ATOM 0 HB3 ASP A 76 35.486 -1.738 11.770 1.00 13.69 H new ATOM 412 N LEU A 77 32.801 -0.667 12.167 1.00 15.31 N ATOM 413 CA LEU A 77 32.316 0.695 12.349 1.00 16.15 C ATOM 414 C LEU A 77 31.273 0.753 13.464 1.00 18.94 C ATOM 415 O LEU A 77 31.448 1.466 14.451 1.00 19.73 O ATOM 416 CB LEU A 77 31.732 1.220 11.030 1.00 16.17 C ATOM 417 CG LEU A 77 30.754 2.397 11.144 1.00 18.23 C ATOM 418 CD1 LEU A 77 31.221 3.389 12.198 1.00 18.49 C ATOM 419 CD2 LEU A 77 30.594 3.084 9.796 1.00 19.14 C ATOM 0 H LEU A 77 32.612 -1.063 11.246 1.00 15.31 H new ATOM 0 HA LEU A 77 33.152 1.330 12.640 1.00 16.15 H new ATOM 0 HB2 LEU A 77 32.558 1.522 10.386 1.00 16.17 H new ATOM 0 HB3 LEU A 77 31.221 0.397 10.530 1.00 16.17 H new ATOM 0 HG LEU A 77 29.784 2.008 11.453 1.00 18.23 H new ATOM 0 HD11 LEU A 77 30.512 4.214 12.260 1.00 18.49 H new ATOM 0 HD12 LEU A 77 31.283 2.890 13.165 1.00 18.49 H new ATOM 0 HD13 LEU A 77 32.203 3.775 11.925 1.00 18.49 H new ATOM 0 HD21 LEU A 77 29.897 3.917 9.892 1.00 19.14 H new ATOM 0 HD22 LEU A 77 31.562 3.457 9.461 1.00 19.14 H new ATOM 0 HD23 LEU A 77 30.208 2.371 9.068 1.00 19.14 H new ATOM 431 N TYR A 78 30.194 -0.004 13.301 1.00 20.49 N ATOM 432 CA TYR A 78 29.130 -0.039 14.296 1.00 23.24 C ATOM 433 C TYR A 78 29.647 -0.575 15.627 1.00 24.65 C ATOM 434 O TYR A 78 29.080 -0.294 16.683 1.00 26.67 O ATOM 435 CB TYR A 78 27.965 -0.899 13.803 1.00 23.88 C ATOM 436 CG TYR A 78 27.267 -0.334 12.585 1.00 24.43 C ATOM 437 CD1 TYR A 78 27.148 1.054 12.399 1.00 23.77 C ATOM 438 CD2 TYR A 78 26.720 -1.186 11.610 1.00 25.63 C ATOM 439 CE1 TYR A 78 26.503 1.577 11.276 1.00 24.32 C ATOM 440 CE2 TYR A 78 26.074 -0.670 10.483 1.00 26.20 C ATOM 441 CZ TYR A 78 25.968 0.712 10.321 1.00 25.54 C ATOM 442 OH TYR A 78 25.332 1.223 9.214 1.00 26.14 O ATOM 0 H TYR A 78 30.033 -0.601 12.490 1.00 20.49 H new ATOM 0 HA TYR A 78 28.777 0.981 14.448 1.00 23.24 H new ATOM 0 HB2 TYR A 78 28.335 -1.897 13.569 1.00 23.88 H new ATOM 0 HB3 TYR A 78 27.239 -1.009 14.609 1.00 23.88 H new ATOM 0 HD1 TYR A 78 27.562 1.727 13.136 1.00 23.77 H new ATOM 0 HD2 TYR A 78 26.800 -2.256 11.734 1.00 25.63 H new ATOM 0 HE1 TYR A 78 26.419 2.646 11.147 1.00 24.32 H new ATOM 0 HE2 TYR A 78 25.659 -1.337 9.742 1.00 26.20 H new ATOM 0 HH TYR A 78 24.381 1.350 9.413 1.00 26.14 H new ATOM 452 N LYS A 79 30.729 -1.344 15.572 1.00 23.64 N ATOM 453 CA LYS A 79 31.321 -1.912 16.777 1.00 24.81 C ATOM 454 C LYS A 79 32.071 -0.841 17.563 1.00 26.24 C ATOM 455 O LYS A 79 32.117 -0.876 18.792 1.00 27.62 O ATOM 456 CB LYS A 79 32.269 -3.058 16.419 1.00 23.37 C ATOM 457 CG LYS A 79 31.654 -4.436 16.603 1.00 23.10 C ATOM 458 CD LYS A 79 32.720 -5.519 16.672 1.00 23.05 C ATOM 459 CE LYS A 79 32.435 -6.510 17.789 1.00 23.64 C ATOM 460 NZ LYS A 79 33.476 -6.461 18.853 1.00 24.48 N ATOM 0 H LYS A 79 31.213 -1.588 14.708 1.00 23.64 H new ATOM 0 HA LYS A 79 30.516 -2.303 17.399 1.00 24.81 H new ATOM 0 HB2 LYS A 79 32.586 -2.946 15.382 1.00 23.37 H new ATOM 0 HB3 LYS A 79 33.165 -2.984 17.036 1.00 23.37 H new ATOM 0 HG2 LYS A 79 31.059 -4.451 17.516 1.00 23.10 H new ATOM 0 HG3 LYS A 79 30.974 -4.645 15.777 1.00 23.10 H new ATOM 0 HD2 LYS A 79 32.767 -6.046 15.719 1.00 23.05 H new ATOM 0 HD3 LYS A 79 33.696 -5.061 16.831 1.00 23.05 H new ATOM 0 HE2 LYS A 79 31.460 -6.295 18.225 1.00 23.64 H new ATOM 0 HE3 LYS A 79 32.385 -7.518 17.376 1.00 23.64 H new ATOM 0 HZ1 LYS A 79 33.246 -7.151 19.596 1.00 24.48 H new ATOM 0 HZ2 LYS A 79 34.403 -6.691 18.442 1.00 24.48 H new ATOM 0 HZ3 LYS A 79 33.507 -5.506 19.265 1.00 24.48 H new ATOM 474 N LYS A 80 32.654 0.112 16.843 1.00 26.05 N ATOM 475 CA LYS A 80 33.399 1.195 17.470 1.00 27.39 C ATOM 476 C LYS A 80 32.461 2.135 18.219 1.00 29.42 C ATOM 477 O LYS A 80 32.815 2.679 19.265 1.00 31.15 O ATOM 478 CB LYS A 80 34.190 1.975 16.418 1.00 26.34 C ATOM 479 CG LYS A 80 35.450 2.627 16.963 1.00 24.68 C ATOM 480 CD LYS A 80 35.229 4.101 17.260 1.00 24.37 C ATOM 481 CE LYS A 80 36.542 4.868 17.281 1.00 23.38 C ATOM 482 NZ LYS A 80 36.341 6.306 17.613 1.00 24.88 N ATOM 0 H LYS A 80 32.624 0.155 15.824 1.00 26.05 H new ATOM 0 HA LYS A 80 34.095 0.758 18.186 1.00 27.39 H new ATOM 0 HB2 LYS A 80 34.462 1.300 15.606 1.00 26.34 H new ATOM 0 HB3 LYS A 80 33.548 2.745 15.991 1.00 26.34 H new ATOM 0 HG2 LYS A 80 35.762 2.114 17.873 1.00 24.68 H new ATOM 0 HG3 LYS A 80 36.259 2.517 16.241 1.00 24.68 H new ATOM 0 HD2 LYS A 80 34.568 4.530 16.507 1.00 24.37 H new ATOM 0 HD3 LYS A 80 34.728 4.208 18.222 1.00 24.37 H new ATOM 0 HE2 LYS A 80 37.214 4.417 18.012 1.00 23.38 H new ATOM 0 HE3 LYS A 80 37.027 4.784 16.308 1.00 23.38 H new ATOM 0 HZ1 LYS A 80 37.260 6.793 17.617 1.00 24.88 H new ATOM 0 HZ2 LYS A 80 35.721 6.743 16.902 1.00 24.88 H new ATOM 0 HZ3 LYS A 80 35.902 6.387 18.552 1.00 24.88 H new ATOM 496 N THR A 81 31.262 2.322 17.675 1.00 29.37 N ATOM 497 CA THR A 81 30.271 3.196 18.290 1.00 31.41 C ATOM 498 C THR A 81 29.979 2.765 19.723 1.00 33.74 C ATOM 499 O THR A 81 30.499 3.345 20.676 1.00 34.06 O ATOM 500 CB THR A 81 28.979 3.193 17.470 1.00 31.33 C ATOM 501 OG1 THR A 81 28.977 2.126 16.539 1.00 29.71 O ATOM 502 CG2 THR A 81 28.760 4.476 16.696 1.00 30.71 C ATOM 0 H THR A 81 30.954 1.879 16.809 1.00 29.37 H new ATOM 0 HA THR A 81 30.678 4.207 18.310 1.00 31.41 H new ATOM 0 HB THR A 81 28.175 3.083 18.198 1.00 31.33 H new ATOM 0 HG1 THR A 81 28.971 1.272 17.020 1.00 29.71 H new ATOM 0 HG21 THR A 81 27.827 4.409 16.136 1.00 30.71 H new ATOM 0 HG22 THR A 81 28.707 5.315 17.390 1.00 30.71 H new ATOM 0 HG23 THR A 81 29.588 4.629 16.004 1.00 30.71 H new ATOM 566 N ASP B 54 24.175 -6.069 18.230 1.00 31.77 N ATOM 567 CA ASP B 54 23.431 -5.205 17.321 1.00 29.10 C ATOM 568 C ASP B 54 24.334 -4.672 16.215 1.00 28.41 C ATOM 569 O ASP B 54 23.937 -4.610 15.051 1.00 27.22 O ATOM 570 CB ASP B 54 22.801 -4.043 18.091 1.00 28.50 C ATOM 571 CG ASP B 54 21.328 -4.265 18.370 1.00 26.28 C ATOM 572 OD1 ASP B 54 20.842 -5.392 18.135 1.00 25.13 O ATOM 573 OD2 ASP B 54 20.659 -3.313 18.824 1.00 25.78 O ATOM 0 HA ASP B 54 22.640 -5.797 16.862 1.00 29.10 H new ATOM 0 HB2 ASP B 54 23.330 -3.907 19.034 1.00 28.50 H new ATOM 0 HB3 ASP B 54 22.925 -3.123 17.520 1.00 28.50 H new ATOM 578 N ALA B 55 25.551 -4.293 16.585 1.00 29.31 N ATOM 579 CA ALA B 55 26.513 -3.770 15.623 1.00 28.88 C ATOM 580 C ALA B 55 26.656 -4.713 14.435 1.00 27.07 C ATOM 581 O ALA B 55 26.707 -4.277 13.285 1.00 25.54 O ATOM 582 CB ALA B 55 27.862 -3.550 16.292 1.00 31.25 C ATOM 0 H ALA B 55 25.895 -4.338 17.544 1.00 29.31 H new ATOM 0 HA ALA B 55 26.145 -2.812 15.255 1.00 28.88 H new ATOM 0 HB1 ALA B 55 28.571 -3.159 15.562 1.00 31.25 H new ATOM 0 HB2 ALA B 55 27.751 -2.836 17.108 1.00 31.25 H new ATOM 0 HB3 ALA B 55 28.232 -4.497 16.686 1.00 31.25 H new ATOM 588 N GLU B 56 26.713 -6.010 14.722 1.00 27.47 N ATOM 589 CA GLU B 56 26.843 -7.018 13.678 1.00 26.13 C ATOM 590 C GLU B 56 25.538 -7.160 12.901 1.00 23.76 C ATOM 591 O GLU B 56 25.546 -7.388 11.691 1.00 23.72 O ATOM 592 CB GLU B 56 27.239 -8.365 14.285 1.00 27.76 C ATOM 593 CG GLU B 56 27.954 -9.286 13.309 1.00 29.27 C ATOM 594 CD GLU B 56 27.016 -9.884 12.279 1.00 28.02 C ATOM 595 OE1 GLU B 56 25.791 -9.888 12.522 1.00 27.17 O ATOM 596 OE2 GLU B 56 27.506 -10.349 11.229 1.00 28.05 O ATOM 0 H GLU B 56 26.671 -6.387 15.669 1.00 27.47 H new ATOM 0 HA GLU B 56 27.625 -6.697 12.990 1.00 26.13 H new ATOM 0 HB2 GLU B 56 27.884 -8.190 15.146 1.00 27.76 H new ATOM 0 HB3 GLU B 56 26.344 -8.865 14.654 1.00 27.76 H new ATOM 0 HG2 GLU B 56 28.740 -8.729 12.799 1.00 29.27 H new ATOM 0 HG3 GLU B 56 28.440 -10.089 13.863 1.00 29.27 H new ATOM 603 N ARG B 57 24.419 -7.019 13.605 1.00 21.99 N ATOM 604 CA ARG B 57 23.106 -7.127 12.981 1.00 19.68 C ATOM 605 C ARG B 57 22.885 -5.989 11.991 1.00 18.19 C ATOM 606 O ARG B 57 22.274 -6.177 10.940 1.00 17.61 O ATOM 607 CB ARG B 57 22.009 -7.114 14.047 1.00 18.14 C ATOM 608 CG ARG B 57 21.312 -8.454 14.220 1.00 18.26 C ATOM 609 CD ARG B 57 22.094 -9.373 15.145 1.00 18.57 C ATOM 610 NE ARG B 57 21.216 -10.271 15.892 1.00 19.24 N ATOM 611 CZ ARG B 57 21.660 -11.249 16.675 1.00 20.38 C ATOM 612 NH1 ARG B 57 22.962 -11.455 16.813 1.00 20.89 N ATOM 613 NH2 ARG B 57 20.798 -12.024 17.321 1.00 21.09 N ATOM 0 H ARG B 57 24.396 -6.830 14.607 1.00 21.99 H new ATOM 0 HA ARG B 57 23.062 -8.072 12.439 1.00 19.68 H new ATOM 0 HB2 ARG B 57 22.444 -6.815 15.000 1.00 18.14 H new ATOM 0 HB3 ARG B 57 21.268 -6.360 13.784 1.00 18.14 H new ATOM 0 HG2 ARG B 57 20.312 -8.296 14.623 1.00 18.26 H new ATOM 0 HG3 ARG B 57 21.192 -8.931 13.247 1.00 18.26 H new ATOM 0 HD2 ARG B 57 22.801 -9.961 14.560 1.00 18.57 H new ATOM 0 HD3 ARG B 57 22.679 -8.774 15.843 1.00 18.57 H new ATOM 0 HE ARG B 57 20.208 -10.140 15.808 1.00 19.24 H new ATOM 0 HH11 ARG B 57 23.628 -10.862 16.317 1.00 20.89 H new ATOM 0 HH12 ARG B 57 23.298 -12.207 17.415 1.00 20.89 H new ATOM 0 HH21 ARG B 57 19.795 -11.869 17.217 1.00 21.09 H new ATOM 0 HH22 ARG B 57 21.138 -12.775 17.922 1.00 21.09 H new ATOM 627 N LEU B 58 23.391 -4.810 12.336 1.00 17.79 N ATOM 628 CA LEU B 58 23.253 -3.639 11.478 1.00 16.36 C ATOM 629 C LEU B 58 24.054 -3.816 10.195 1.00 16.31 C ATOM 630 O LEU B 58 23.531 -3.644 9.094 1.00 15.11 O ATOM 631 CB LEU B 58 23.719 -2.383 12.213 1.00 15.37 C ATOM 632 CG LEU B 58 22.895 -2.015 13.447 1.00 14.52 C ATOM 633 CD1 LEU B 58 23.598 -0.933 14.252 1.00 14.84 C ATOM 634 CD2 LEU B 58 21.501 -1.560 13.038 1.00 12.13 C ATOM 0 H LEU B 58 23.900 -4.640 13.203 1.00 17.79 H new ATOM 0 HA LEU B 58 22.200 -3.528 11.220 1.00 16.36 H new ATOM 0 HB2 LEU B 58 24.757 -2.521 12.515 1.00 15.37 H new ATOM 0 HB3 LEU B 58 23.699 -1.544 11.517 1.00 15.37 H new ATOM 0 HG LEU B 58 22.797 -2.900 14.076 1.00 14.52 H new ATOM 0 HD11 LEU B 58 22.998 -0.683 15.127 1.00 14.84 H new ATOM 0 HD12 LEU B 58 24.575 -1.295 14.573 1.00 14.84 H new ATOM 0 HD13 LEU B 58 23.726 -0.045 13.634 1.00 14.84 H new ATOM 0 HD21 LEU B 58 20.927 -1.302 13.928 1.00 12.13 H new ATOM 0 HD22 LEU B 58 21.579 -0.687 12.390 1.00 12.13 H new ATOM 0 HD23 LEU B 58 20.998 -2.365 12.503 1.00 12.13 H new ATOM 646 N ALA B 59 25.325 -4.163 10.347 1.00 17.68 N ATOM 647 CA ALA B 59 26.205 -4.370 9.203 1.00 17.83 C ATOM 648 C ALA B 59 25.561 -5.298 8.180 1.00 18.45 C ATOM 649 O ALA B 59 25.708 -5.106 6.973 1.00 18.68 O ATOM 650 CB ALA B 59 27.542 -4.935 9.660 1.00 17.97 C ATOM 0 H ALA B 59 25.771 -4.307 11.253 1.00 17.68 H new ATOM 0 HA ALA B 59 26.375 -3.404 8.727 1.00 17.83 H new ATOM 0 HB1 ALA B 59 28.189 -5.084 8.795 1.00 17.97 H new ATOM 0 HB2 ALA B 59 28.015 -4.237 10.351 1.00 17.97 H new ATOM 0 HB3 ALA B 59 27.381 -5.889 10.162 1.00 17.97 H new ATOM 656 N ASP B 60 24.845 -6.304 8.672 1.00 19.00 N ATOM 657 CA ASP B 60 24.174 -7.262 7.801 1.00 19.75 C ATOM 658 C ASP B 60 22.988 -6.616 7.092 1.00 17.83 C ATOM 659 O ASP B 60 22.860 -6.705 5.871 1.00 17.98 O ATOM 660 CB ASP B 60 23.707 -8.476 8.607 1.00 21.91 C ATOM 661 CG ASP B 60 22.965 -9.486 7.753 1.00 22.37 C ATOM 662 OD1 ASP B 60 23.182 -9.497 6.524 1.00 22.37 O ATOM 663 OD2 ASP B 60 22.167 -10.266 8.314 1.00 22.93 O ATOM 0 H ASP B 60 24.715 -6.477 9.669 1.00 19.00 H new ATOM 0 HA ASP B 60 24.888 -7.591 7.046 1.00 19.75 H new ATOM 0 HB2 ASP B 60 24.570 -8.957 9.067 1.00 21.91 H new ATOM 0 HB3 ASP B 60 23.058 -8.143 9.417 1.00 21.91 H new ATOM 668 N GLU B 61 22.127 -5.961 7.864 1.00 16.15 N ATOM 669 CA GLU B 61 20.956 -5.295 7.305 1.00 14.55 C ATOM 670 C GLU B 61 21.374 -4.187 6.344 1.00 12.52 C ATOM 671 O GLU B 61 20.745 -3.979 5.306 1.00 11.72 O ATOM 672 CB GLU B 61 20.087 -4.717 8.424 1.00 14.46 C ATOM 673 CG GLU B 61 19.514 -5.773 9.355 1.00 14.89 C ATOM 674 CD GLU B 61 18.016 -5.635 9.542 1.00 15.40 C ATOM 675 OE1 GLU B 61 17.289 -5.630 8.527 1.00 15.76 O ATOM 676 OE2 GLU B 61 17.571 -5.531 10.705 1.00 15.69 O ATOM 0 H GLU B 61 22.218 -5.877 8.876 1.00 16.15 H new ATOM 0 HA GLU B 61 20.375 -6.034 6.752 1.00 14.55 H new ATOM 0 HB2 GLU B 61 20.681 -4.014 9.008 1.00 14.46 H new ATOM 0 HB3 GLU B 61 19.267 -4.151 7.981 1.00 14.46 H new ATOM 0 HG2 GLU B 61 19.737 -6.763 8.957 1.00 14.89 H new ATOM 0 HG3 GLU B 61 20.006 -5.702 10.325 1.00 14.89 H new ATOM 683 N GLN B 62 22.443 -3.480 6.698 1.00 11.97 N ATOM 684 CA GLN B 62 22.953 -2.395 5.870 1.00 10.76 C ATOM 685 C GLN B 62 23.715 -2.943 4.667 1.00 9.94 C ATOM 686 O GLN B 62 23.572 -2.444 3.551 1.00 9.56 O ATOM 687 CB GLN B 62 23.863 -1.481 6.695 1.00 11.37 C ATOM 688 CG GLN B 62 23.116 -0.495 7.585 1.00 12.84 C ATOM 689 CD GLN B 62 21.858 -1.079 8.200 1.00 12.96 C ATOM 690 OE1 GLN B 62 20.960 -1.534 7.491 1.00 12.23 O ATOM 691 NE2 GLN B 62 21.787 -1.068 9.526 1.00 14.36 N ATOM 0 H GLN B 62 22.973 -3.640 7.555 1.00 11.97 H new ATOM 0 HA GLN B 62 22.104 -1.816 5.506 1.00 10.76 H new ATOM 0 HB2 GLN B 62 24.510 -2.098 7.319 1.00 11.37 H new ATOM 0 HB3 GLN B 62 24.510 -0.924 6.018 1.00 11.37 H new ATOM 0 HG2 GLN B 62 23.780 -0.159 8.382 1.00 12.84 H new ATOM 0 HG3 GLN B 62 22.851 0.385 6.999 1.00 12.84 H new ATOM 0 HE21 GLN B 62 22.555 -0.681 10.075 1.00 14.36 H new ATOM 0 HE22 GLN B 62 20.965 -1.447 9.996 1.00 14.36 H new ATOM 700 N SER B 63 24.520 -3.976 4.900 1.00 10.45 N ATOM 701 CA SER B 63 25.299 -4.592 3.831 1.00 10.67 C ATOM 702 C SER B 63 24.379 -5.264 2.818 1.00 8.67 C ATOM 703 O SER B 63 24.444 -4.981 1.621 1.00 8.28 O ATOM 704 CB SER B 63 26.279 -5.616 4.403 1.00 12.88 C ATOM 705 OG SER B 63 25.596 -6.641 5.103 1.00 12.16 O ATOM 0 H SER B 63 24.650 -4.403 5.817 1.00 10.45 H new ATOM 0 HA SER B 63 25.864 -3.808 3.327 1.00 10.67 H new ATOM 0 HB2 SER B 63 26.866 -6.052 3.595 1.00 12.88 H new ATOM 0 HB3 SER B 63 26.980 -5.118 5.073 1.00 12.88 H new ATOM 0 HG SER B 63 25.242 -6.283 5.944 1.00 12.16 H new ATOM 711 N GLU B 64 23.519 -6.153 3.307 1.00 7.80 N ATOM 712 CA GLU B 64 22.581 -6.862 2.449 1.00 6.17 C ATOM 713 C GLU B 64 21.808 -5.884 1.572 1.00 4.39 C ATOM 714 O GLU B 64 21.540 -6.160 0.403 1.00 3.78 O ATOM 715 CB GLU B 64 21.613 -7.684 3.300 1.00 5.19 C ATOM 716 CG GLU B 64 20.590 -6.842 4.047 1.00 4.86 C ATOM 717 CD GLU B 64 19.413 -6.447 3.178 1.00 4.27 C ATOM 718 OE1 GLU B 64 18.851 -7.334 2.500 1.00 3.73 O ATOM 719 OE2 GLU B 64 19.054 -5.250 3.173 1.00 4.77 O ATOM 0 H GLU B 64 23.454 -6.398 4.295 1.00 7.80 H new ATOM 0 HA GLU B 64 23.144 -7.533 1.801 1.00 6.17 H new ATOM 0 HB2 GLU B 64 21.089 -8.391 2.657 1.00 5.19 H new ATOM 0 HB3 GLU B 64 22.184 -8.270 4.020 1.00 5.19 H new ATOM 0 HG2 GLU B 64 20.228 -7.399 4.911 1.00 4.86 H new ATOM 0 HG3 GLU B 64 21.074 -5.942 4.428 1.00 4.86 H new ATOM 726 N LEU B 65 21.458 -4.737 2.146 1.00 3.83 N ATOM 727 CA LEU B 65 20.720 -3.713 1.418 1.00 3.14 C ATOM 728 C LEU B 65 21.508 -3.245 0.200 1.00 2.41 C ATOM 729 O LEU B 65 20.952 -3.072 -0.885 1.00 3.15 O ATOM 730 CB LEU B 65 20.422 -2.525 2.334 1.00 2.40 C ATOM 731 CG LEU B 65 19.062 -1.862 2.110 1.00 4.70 C ATOM 732 CD1 LEU B 65 18.355 -1.639 3.438 1.00 5.81 C ATOM 733 CD2 LEU B 65 19.228 -0.547 1.364 1.00 4.94 C ATOM 0 H LEU B 65 21.674 -4.494 3.113 1.00 3.83 H new ATOM 0 HA LEU B 65 19.779 -4.146 1.078 1.00 3.14 H new ATOM 0 HB2 LEU B 65 20.480 -2.860 3.370 1.00 2.40 H new ATOM 0 HB3 LEU B 65 21.202 -1.776 2.198 1.00 2.40 H new ATOM 0 HG LEU B 65 18.448 -2.526 1.501 1.00 4.70 H new ATOM 0 HD11 LEU B 65 17.389 -1.166 3.261 1.00 5.81 H new ATOM 0 HD12 LEU B 65 18.205 -2.597 3.936 1.00 5.81 H new ATOM 0 HD13 LEU B 65 18.964 -0.993 4.071 1.00 5.81 H new ATOM 0 HD21 LEU B 65 18.251 -0.089 1.213 1.00 4.94 H new ATOM 0 HD22 LEU B 65 19.858 0.125 1.947 1.00 4.94 H new ATOM 0 HD23 LEU B 65 19.695 -0.734 0.397 1.00 4.94 H new ATOM 745 N VAL B 66 22.809 -3.045 0.386 1.00 1.28 N ATOM 746 CA VAL B 66 23.679 -2.600 -0.696 1.00 1.56 C ATOM 747 C VAL B 66 23.643 -3.581 -1.861 1.00 2.76 C ATOM 748 O VAL B 66 23.707 -3.183 -3.024 1.00 3.71 O ATOM 749 CB VAL B 66 25.134 -2.442 -0.218 1.00 4.51 C ATOM 750 CG1 VAL B 66 26.022 -1.957 -1.353 1.00 5.52 C ATOM 751 CG2 VAL B 66 25.207 -1.494 0.970 1.00 5.82 C ATOM 0 H VAL B 66 23.284 -3.184 1.278 1.00 1.28 H new ATOM 0 HA VAL B 66 23.307 -1.630 -1.026 1.00 1.56 H new ATOM 0 HB VAL B 66 25.498 -3.418 0.103 1.00 4.51 H new ATOM 0 HG11 VAL B 66 27.046 -1.852 -0.994 1.00 5.52 H new ATOM 0 HG12 VAL B 66 25.996 -2.679 -2.169 1.00 5.52 H new ATOM 0 HG13 VAL B 66 25.662 -0.992 -1.710 1.00 5.52 H new ATOM 0 HG21 VAL B 66 26.243 -1.395 1.293 1.00 5.82 H new ATOM 0 HG22 VAL B 66 24.823 -0.516 0.679 1.00 5.82 H new ATOM 0 HG23 VAL B 66 24.607 -1.891 1.789 1.00 5.82 H new ATOM 761 N LYS B 67 23.539 -4.865 -1.541 1.00 3.94 N ATOM 762 CA LYS B 67 23.491 -5.902 -2.561 1.00 6.21 C ATOM 763 C LYS B 67 22.180 -5.834 -3.335 1.00 7.88 C ATOM 764 O LYS B 67 22.130 -6.154 -4.521 1.00 9.06 O ATOM 765 CB LYS B 67 23.653 -7.283 -1.925 1.00 7.93 C ATOM 766 CG LYS B 67 23.544 -8.428 -2.918 1.00 7.94 C ATOM 767 CD LYS B 67 24.384 -9.619 -2.490 1.00 9.94 C ATOM 768 CE LYS B 67 23.585 -10.583 -1.626 1.00 11.83 C ATOM 769 NZ LYS B 67 23.817 -12.001 -2.016 1.00 14.13 N ATOM 0 H LYS B 67 23.486 -5.212 -0.583 1.00 3.94 H new ATOM 0 HA LYS B 67 24.314 -5.735 -3.256 1.00 6.21 H new ATOM 0 HB2 LYS B 67 24.623 -7.334 -1.430 1.00 7.93 H new ATOM 0 HB3 LYS B 67 22.894 -7.409 -1.153 1.00 7.93 H new ATOM 0 HG2 LYS B 67 22.501 -8.732 -3.011 1.00 7.94 H new ATOM 0 HG3 LYS B 67 23.867 -8.089 -3.902 1.00 7.94 H new ATOM 0 HD2 LYS B 67 24.754 -10.141 -3.373 1.00 9.94 H new ATOM 0 HD3 LYS B 67 25.256 -9.270 -1.937 1.00 9.94 H new ATOM 0 HE2 LYS B 67 23.858 -10.445 -0.580 1.00 11.83 H new ATOM 0 HE3 LYS B 67 22.523 -10.352 -1.711 1.00 11.83 H new ATOM 0 HZ1 LYS B 67 23.255 -12.626 -1.404 1.00 14.13 H new ATOM 0 HZ2 LYS B 67 23.532 -12.140 -3.007 1.00 14.13 H new ATOM 0 HZ3 LYS B 67 24.826 -12.229 -1.910 1.00 14.13 H new ATOM 783 N LYS B 68 21.120 -5.412 -2.653 1.00 8.42 N ATOM 784 CA LYS B 68 19.807 -5.300 -3.276 1.00 10.40 C ATOM 785 C LYS B 68 19.747 -4.087 -4.198 1.00 10.76 C ATOM 786 O LYS B 68 19.148 -4.142 -5.273 1.00 12.00 O ATOM 787 CB LYS B 68 18.719 -5.199 -2.205 1.00 10.24 C ATOM 788 CG LYS B 68 17.408 -5.858 -2.602 1.00 12.73 C ATOM 789 CD LYS B 68 16.392 -5.801 -1.473 1.00 14.28 C ATOM 790 CE LYS B 68 14.985 -6.085 -1.973 1.00 15.58 C ATOM 791 NZ LYS B 68 14.172 -6.815 -0.962 1.00 17.83 N ATOM 0 H LYS B 68 21.145 -5.142 -1.670 1.00 8.42 H new ATOM 0 HA LYS B 68 19.635 -6.196 -3.873 1.00 10.40 H new ATOM 0 HB2 LYS B 68 19.083 -5.658 -1.286 1.00 10.24 H new ATOM 0 HB3 LYS B 68 18.535 -4.147 -1.985 1.00 10.24 H new ATOM 0 HG2 LYS B 68 17.002 -5.362 -3.483 1.00 12.73 H new ATOM 0 HG3 LYS B 68 17.590 -6.897 -2.877 1.00 12.73 H new ATOM 0 HD2 LYS B 68 16.659 -6.527 -0.705 1.00 14.28 H new ATOM 0 HD3 LYS B 68 16.421 -4.817 -1.006 1.00 14.28 H new ATOM 0 HE2 LYS B 68 14.493 -5.146 -2.225 1.00 15.58 H new ATOM 0 HE3 LYS B 68 15.037 -6.673 -2.889 1.00 15.58 H new ATOM 0 HZ1 LYS B 68 13.220 -6.989 -1.342 1.00 17.83 H new ATOM 0 HZ2 LYS B 68 14.628 -7.723 -0.740 1.00 17.83 H new ATOM 0 HZ3 LYS B 68 14.100 -6.243 -0.096 1.00 17.83 H new ATOM 805 N MET B 69 20.371 -2.993 -3.774 1.00 10.22 N ATOM 806 CA MET B 69 20.385 -1.770 -4.568 1.00 11.30 C ATOM 807 C MET B 69 21.335 -1.907 -5.755 1.00 12.48 C ATOM 808 O MET B 69 21.070 -1.389 -6.839 1.00 12.91 O ATOM 809 CB MET B 69 20.786 -0.570 -3.702 1.00 9.91 C ATOM 810 CG MET B 69 22.274 -0.498 -3.395 1.00 8.96 C ATOM 811 SD MET B 69 22.727 1.005 -2.508 1.00 9.36 S ATOM 812 CE MET B 69 24.459 0.696 -2.182 1.00 8.10 C ATOM 0 H MET B 69 20.872 -2.928 -2.888 1.00 10.22 H new ATOM 0 HA MET B 69 19.378 -1.602 -4.950 1.00 11.30 H new ATOM 0 HB2 MET B 69 20.485 0.347 -4.209 1.00 9.91 H new ATOM 0 HB3 MET B 69 20.233 -0.612 -2.763 1.00 9.91 H new ATOM 0 HG2 MET B 69 22.561 -1.366 -2.802 1.00 8.96 H new ATOM 0 HG3 MET B 69 22.836 -0.549 -4.327 1.00 8.96 H new ATOM 0 HE1 MET B 69 25.025 1.617 -2.321 1.00 8.10 H new ATOM 0 HE2 MET B 69 24.580 0.347 -1.156 1.00 8.10 H new ATOM 0 HE3 MET B 69 24.829 -0.064 -2.870 1.00 8.10 H new ATOM 822 N VAL B 70 22.443 -2.610 -5.539 1.00 13.18 N ATOM 823 CA VAL B 70 23.431 -2.815 -6.589 1.00 14.42 C ATOM 824 C VAL B 70 23.004 -3.931 -7.537 1.00 15.42 C ATOM 825 O VAL B 70 23.312 -3.897 -8.728 1.00 15.09 O ATOM 826 CB VAL B 70 24.814 -3.147 -6.000 1.00 13.59 C ATOM 827 CG1 VAL B 70 25.836 -3.340 -7.110 1.00 14.32 C ATOM 828 CG2 VAL B 70 25.258 -2.054 -5.038 1.00 11.38 C ATOM 0 H VAL B 70 22.677 -3.046 -4.647 1.00 13.18 H new ATOM 0 HA VAL B 70 23.500 -1.881 -7.147 1.00 14.42 H new ATOM 0 HB VAL B 70 24.739 -4.081 -5.444 1.00 13.59 H new ATOM 0 HG11 VAL B 70 26.807 -3.574 -6.674 1.00 14.32 H new ATOM 0 HG12 VAL B 70 25.521 -4.160 -7.756 1.00 14.32 H new ATOM 0 HG13 VAL B 70 25.913 -2.425 -7.697 1.00 14.32 H new ATOM 0 HG21 VAL B 70 26.238 -2.304 -4.630 1.00 11.38 H new ATOM 0 HG22 VAL B 70 25.318 -1.104 -5.569 1.00 11.38 H new ATOM 0 HG23 VAL B 70 24.537 -1.970 -4.225 1.00 11.38 H new ATOM 838 N PHE B 71 22.288 -4.917 -7.003 1.00 16.88 N ATOM 839 CA PHE B 71 21.816 -6.037 -7.809 1.00 18.29 C ATOM 840 C PHE B 71 20.934 -5.542 -8.951 1.00 19.61 C ATOM 841 O PHE B 71 21.170 -5.864 -10.115 1.00 19.51 O ATOM 842 CB PHE B 71 21.041 -7.032 -6.944 1.00 20.19 C ATOM 843 CG PHE B 71 20.436 -8.164 -7.724 1.00 21.61 C ATOM 844 CD1 PHE B 71 21.170 -8.809 -8.731 1.00 22.38 C ATOM 845 CD2 PHE B 71 19.128 -8.596 -7.459 1.00 22.54 C ATOM 846 CE1 PHE B 71 20.610 -9.863 -9.457 1.00 23.97 C ATOM 847 CE2 PHE B 71 18.564 -9.650 -8.183 1.00 24.01 C ATOM 848 CZ PHE B 71 19.307 -10.284 -9.183 1.00 24.69 C ATOM 0 H PHE B 71 22.023 -4.963 -6.019 1.00 16.88 H new ATOM 0 HA PHE B 71 22.685 -6.541 -8.231 1.00 18.29 H new ATOM 0 HB2 PHE B 71 21.710 -7.441 -6.187 1.00 20.19 H new ATOM 0 HB3 PHE B 71 20.249 -6.501 -6.416 1.00 20.19 H new ATOM 0 HD1 PHE B 71 22.178 -8.487 -8.947 1.00 22.38 H new ATOM 0 HD2 PHE B 71 18.551 -8.109 -6.687 1.00 22.54 H new ATOM 0 HE1 PHE B 71 21.185 -10.352 -10.230 1.00 23.97 H new ATOM 0 HE2 PHE B 71 17.556 -9.974 -7.970 1.00 24.01 H new ATOM 0 HZ PHE B 71 18.874 -11.099 -9.743 1.00 24.69 H new ATOM 858 N ASP B 72 19.920 -4.754 -8.609 1.00 21.04 N ATOM 859 CA ASP B 72 19.007 -4.211 -9.607 1.00 22.82 C ATOM 860 C ASP B 72 19.756 -3.326 -10.597 1.00 22.06 C ATOM 861 O ASP B 72 19.552 -3.420 -11.807 1.00 22.49 O ATOM 862 CB ASP B 72 17.891 -3.410 -8.931 1.00 24.66 C ATOM 863 CG ASP B 72 16.512 -3.827 -9.404 1.00 26.83 C ATOM 864 OD1 ASP B 72 16.078 -4.946 -9.057 1.00 28.54 O ATOM 865 OD2 ASP B 72 15.866 -3.035 -10.122 1.00 26.87 O ATOM 0 H ASP B 72 19.710 -4.478 -7.650 1.00 21.04 H new ATOM 0 HA ASP B 72 18.564 -5.045 -10.151 1.00 22.82 H new ATOM 0 HB2 ASP B 72 17.957 -3.541 -7.851 1.00 24.66 H new ATOM 0 HB3 ASP B 72 18.036 -2.349 -9.133 1.00 24.66 H new ATOM 870 N THR B 73 20.630 -2.471 -10.073 1.00 21.26 N ATOM 871 CA THR B 73 21.415 -1.572 -10.911 1.00 20.91 C ATOM 872 C THR B 73 22.214 -2.356 -11.947 1.00 21.18 C ATOM 873 O THR B 73 22.018 -2.192 -13.151 1.00 22.92 O ATOM 874 CB THR B 73 22.360 -0.736 -10.047 1.00 18.33 C ATOM 875 OG1 THR B 73 21.627 0.105 -9.173 1.00 18.40 O ATOM 876 CG2 THR B 73 23.289 0.143 -10.855 1.00 17.08 C ATOM 0 H THR B 73 20.812 -2.382 -9.073 1.00 21.26 H new ATOM 0 HA THR B 73 20.728 -0.908 -11.435 1.00 20.91 H new ATOM 0 HB THR B 73 22.959 -1.458 -9.492 1.00 18.33 H new ATOM 0 HG1 THR B 73 21.415 -0.384 -8.350 1.00 18.40 H new ATOM 0 HG21 THR B 73 23.932 0.709 -10.181 1.00 17.08 H new ATOM 0 HG22 THR B 73 23.903 -0.479 -11.506 1.00 17.08 H new ATOM 0 HG23 THR B 73 22.702 0.833 -11.461 1.00 17.08 H new ATOM 884 N LEU B 74 23.117 -3.207 -11.469 1.00 19.54 N ATOM 885 CA LEU B 74 23.948 -4.016 -12.352 1.00 19.61 C ATOM 886 C LEU B 74 23.097 -4.744 -13.386 1.00 20.77 C ATOM 887 O LEU B 74 23.482 -4.860 -14.549 1.00 20.99 O ATOM 888 CB LEU B 74 24.760 -5.026 -11.539 1.00 17.58 C ATOM 889 CG LEU B 74 25.869 -4.422 -10.677 1.00 14.91 C ATOM 890 CD1 LEU B 74 26.319 -5.412 -9.616 1.00 14.38 C ATOM 891 CD2 LEU B 74 27.043 -3.994 -11.545 1.00 13.41 C ATOM 0 H LEU B 74 23.291 -3.354 -10.475 1.00 19.54 H new ATOM 0 HA LEU B 74 24.632 -3.349 -12.877 1.00 19.61 H new ATOM 0 HB2 LEU B 74 24.079 -5.580 -10.892 1.00 17.58 H new ATOM 0 HB3 LEU B 74 25.206 -5.747 -12.225 1.00 17.58 H new ATOM 0 HG LEU B 74 25.474 -3.539 -10.174 1.00 14.91 H new ATOM 0 HD11 LEU B 74 27.109 -4.965 -9.012 1.00 14.38 H new ATOM 0 HD12 LEU B 74 25.475 -5.669 -8.976 1.00 14.38 H new ATOM 0 HD13 LEU B 74 26.697 -6.314 -10.097 1.00 14.38 H new ATOM 0 HD21 LEU B 74 27.824 -3.566 -10.916 1.00 13.41 H new ATOM 0 HD22 LEU B 74 27.438 -4.860 -12.075 1.00 13.41 H new ATOM 0 HD23 LEU B 74 26.709 -3.248 -12.267 1.00 13.41 H new ATOM 903 N LYS B 75 21.937 -5.232 -12.957 1.00 21.68 N ATOM 904 CA LYS B 75 21.031 -5.948 -13.850 1.00 23.10 C ATOM 905 C LYS B 75 20.798 -5.152 -15.129 1.00 24.90 C ATOM 906 O LYS B 75 20.909 -5.683 -16.234 1.00 25.81 O ATOM 907 CB LYS B 75 19.698 -6.219 -13.151 1.00 22.71 C ATOM 908 CG LYS B 75 19.168 -7.626 -13.375 1.00 23.27 C ATOM 909 CD LYS B 75 18.235 -8.055 -12.254 1.00 22.36 C ATOM 910 CE LYS B 75 16.830 -7.511 -12.461 1.00 23.15 C ATOM 911 NZ LYS B 75 16.026 -7.557 -11.208 1.00 22.18 N ATOM 0 H LYS B 75 21.602 -5.145 -11.997 1.00 21.68 H new ATOM 0 HA LYS B 75 21.491 -6.901 -14.112 1.00 23.10 H new ATOM 0 HB2 LYS B 75 19.818 -6.051 -12.081 1.00 22.71 H new ATOM 0 HB3 LYS B 75 18.959 -5.501 -13.506 1.00 22.71 H new ATOM 0 HG2 LYS B 75 18.639 -7.669 -14.327 1.00 23.27 H new ATOM 0 HG3 LYS B 75 20.003 -8.324 -13.442 1.00 23.27 H new ATOM 0 HD2 LYS B 75 18.201 -9.143 -12.203 1.00 22.36 H new ATOM 0 HD3 LYS B 75 18.626 -7.703 -11.299 1.00 22.36 H new ATOM 0 HE2 LYS B 75 16.888 -6.483 -12.818 1.00 23.15 H new ATOM 0 HE3 LYS B 75 16.327 -8.089 -13.236 1.00 23.15 H new ATOM 0 HZ1 LYS B 75 15.028 -7.730 -11.442 1.00 22.18 H new ATOM 0 HZ2 LYS B 75 16.377 -8.323 -10.599 1.00 22.18 H new ATOM 0 HZ3 LYS B 75 16.112 -6.650 -10.707 1.00 22.18 H new ATOM 925 N ASP B 76 20.478 -3.875 -14.967 1.00 25.49 N ATOM 926 CA ASP B 76 20.234 -2.997 -16.104 1.00 27.25 C ATOM 927 C ASP B 76 21.534 -2.703 -16.847 1.00 28.00 C ATOM 928 O ASP B 76 21.553 -2.618 -18.074 1.00 29.66 O ATOM 929 CB ASP B 76 19.590 -1.692 -15.636 1.00 27.20 C ATOM 930 CG ASP B 76 18.078 -1.784 -15.569 1.00 28.85 C ATOM 931 OD1 ASP B 76 17.549 -2.915 -15.603 1.00 28.77 O ATOM 932 OD2 ASP B 76 17.422 -0.725 -15.481 1.00 30.26 O ATOM 0 H ASP B 76 20.381 -3.423 -14.058 1.00 25.49 H new ATOM 0 HA ASP B 76 19.552 -3.503 -16.788 1.00 27.25 H new ATOM 0 HB2 ASP B 76 19.979 -1.431 -14.652 1.00 27.20 H new ATOM 0 HB3 ASP B 76 19.872 -0.887 -16.315 1.00 27.20 H new ATOM 937 N LEU B 77 22.617 -2.551 -16.091 1.00 26.82 N ATOM 938 CA LEU B 77 23.924 -2.270 -16.673 1.00 27.46 C ATOM 939 C LEU B 77 24.309 -3.338 -17.691 1.00 28.67 C ATOM 940 O LEU B 77 24.700 -3.026 -18.816 1.00 30.32 O ATOM 941 CB LEU B 77 24.985 -2.197 -15.574 1.00 25.80 C ATOM 942 CG LEU B 77 25.156 -0.821 -14.930 1.00 24.37 C ATOM 943 CD1 LEU B 77 25.812 -0.950 -13.564 1.00 21.63 C ATOM 944 CD2 LEU B 77 25.974 0.090 -15.833 1.00 25.02 C ATOM 0 H LEU B 77 22.615 -2.618 -15.073 1.00 26.82 H new ATOM 0 HA LEU B 77 23.867 -1.309 -17.185 1.00 27.46 H new ATOM 0 HB2 LEU B 77 24.730 -2.916 -14.796 1.00 25.80 H new ATOM 0 HB3 LEU B 77 25.942 -2.507 -15.993 1.00 25.80 H new ATOM 0 HG LEU B 77 24.170 -0.377 -14.796 1.00 24.37 H new ATOM 0 HD11 LEU B 77 25.926 0.039 -13.120 1.00 21.63 H new ATOM 0 HD12 LEU B 77 25.189 -1.568 -12.918 1.00 21.63 H new ATOM 0 HD13 LEU B 77 26.792 -1.414 -13.674 1.00 21.63 H new ATOM 0 HD21 LEU B 77 26.086 1.066 -15.360 1.00 25.02 H new ATOM 0 HD22 LEU B 77 26.958 -0.349 -15.998 1.00 25.02 H new ATOM 0 HD23 LEU B 77 25.464 0.207 -16.789 1.00 25.02 H new ATOM 956 N TYR B 78 24.195 -4.599 -17.288 1.00 28.00 N ATOM 957 CA TYR B 78 24.531 -5.716 -18.161 1.00 29.22 C ATOM 958 C TYR B 78 23.499 -5.869 -19.274 1.00 31.34 C ATOM 959 O TYR B 78 23.850 -6.081 -20.434 1.00 31.25 O ATOM 960 CB TYR B 78 24.617 -7.007 -17.348 1.00 30.20 C ATOM 961 CG TYR B 78 25.888 -7.133 -16.538 1.00 28.91 C ATOM 962 CD1 TYR B 78 27.142 -7.199 -17.168 1.00 28.03 C ATOM 963 CD2 TYR B 78 25.844 -7.188 -15.135 1.00 28.69 C ATOM 964 CE1 TYR B 78 28.318 -7.316 -16.422 1.00 27.00 C ATOM 965 CE2 TYR B 78 27.015 -7.304 -14.381 1.00 27.74 C ATOM 966 CZ TYR B 78 28.248 -7.369 -15.029 1.00 26.94 C ATOM 967 OH TYR B 78 29.404 -7.485 -14.291 1.00 26.20 O ATOM 0 H TYR B 78 23.872 -4.873 -16.360 1.00 28.00 H new ATOM 0 HA TYR B 78 25.499 -5.513 -18.618 1.00 29.22 H new ATOM 0 HB2 TYR B 78 23.761 -7.060 -16.675 1.00 30.20 H new ATOM 0 HB3 TYR B 78 24.543 -7.858 -18.025 1.00 30.20 H new ATOM 0 HD1 TYR B 78 27.198 -7.159 -18.246 1.00 28.03 H new ATOM 0 HD2 TYR B 78 24.890 -7.140 -14.631 1.00 28.69 H new ATOM 0 HE1 TYR B 78 29.275 -7.365 -16.920 1.00 27.00 H new ATOM 0 HE2 TYR B 78 26.965 -7.343 -13.303 1.00 27.74 H new ATOM 0 HH TYR B 78 29.660 -6.605 -13.943 1.00 26.20 H new ATOM 977 N LYS B 79 22.224 -5.762 -18.911 1.00 33.28 N ATOM 978 CA LYS B 79 21.139 -5.890 -19.880 1.00 35.50 C ATOM 979 C LYS B 79 21.392 -5.012 -21.101 1.00 35.81 C ATOM 980 O LYS B 79 21.089 -5.399 -22.230 1.00 35.85 O ATOM 981 CB LYS B 79 19.804 -5.515 -19.235 1.00 35.72 C ATOM 982 CG LYS B 79 18.874 -6.700 -19.031 1.00 37.29 C ATOM 983 CD LYS B 79 17.421 -6.312 -19.246 1.00 39.53 C ATOM 984 CE LYS B 79 16.498 -7.060 -18.298 1.00 39.27 C ATOM 985 NZ LYS B 79 15.469 -7.848 -19.030 1.00 41.40 N ATOM 0 H LYS B 79 21.917 -5.587 -17.954 1.00 33.28 H new ATOM 0 HA LYS B 79 21.098 -6.929 -20.206 1.00 35.50 H new ATOM 0 HB2 LYS B 79 19.995 -5.043 -18.271 1.00 35.72 H new ATOM 0 HB3 LYS B 79 19.304 -4.774 -19.859 1.00 35.72 H new ATOM 0 HG2 LYS B 79 19.144 -7.499 -19.722 1.00 37.29 H new ATOM 0 HG3 LYS B 79 19.001 -7.094 -18.023 1.00 37.29 H new ATOM 0 HD2 LYS B 79 17.304 -5.238 -19.097 1.00 39.53 H new ATOM 0 HD3 LYS B 79 17.135 -6.524 -20.276 1.00 39.53 H new ATOM 0 HE2 LYS B 79 17.087 -7.728 -17.670 1.00 39.27 H new ATOM 0 HE3 LYS B 79 16.006 -6.349 -17.634 1.00 39.27 H new ATOM 0 HZ1 LYS B 79 14.860 -8.343 -18.347 1.00 41.40 H new ATOM 0 HZ2 LYS B 79 14.890 -7.208 -19.610 1.00 41.40 H new ATOM 0 HZ3 LYS B 79 15.937 -8.544 -19.645 1.00 41.40 H new ATOM 1103 N ALA C 55 26.570 13.417 18.641 1.00 34.74 N ATOM 1104 CA ALA C 55 26.017 12.131 18.241 1.00 33.49 C ATOM 1105 C ALA C 55 25.310 12.243 16.896 1.00 30.93 C ATOM 1106 O ALA C 55 25.420 11.357 16.049 1.00 29.73 O ATOM 1107 CB ALA C 55 25.060 11.611 19.304 1.00 34.27 C ATOM 0 HA ALA C 55 26.839 11.422 18.137 1.00 33.49 H new ATOM 0 HB1 ALA C 55 24.655 10.649 18.990 1.00 34.27 H new ATOM 0 HB2 ALA C 55 25.594 11.490 20.246 1.00 34.27 H new ATOM 0 HB3 ALA C 55 24.244 12.321 19.438 1.00 34.27 H new ATOM 1113 N GLU C 56 24.590 13.344 16.704 1.00 30.14 N ATOM 1114 CA GLU C 56 23.871 13.577 15.457 1.00 27.75 C ATOM 1115 C GLU C 56 24.850 13.812 14.315 1.00 27.11 C ATOM 1116 O GLU C 56 24.760 13.176 13.265 1.00 26.78 O ATOM 1117 CB GLU C 56 22.932 14.775 15.598 1.00 27.30 C ATOM 1118 CG GLU C 56 22.110 15.054 14.349 1.00 26.34 C ATOM 1119 CD GLU C 56 22.702 16.158 13.496 1.00 25.61 C ATOM 1120 OE1 GLU C 56 22.383 17.340 13.749 1.00 25.19 O ATOM 1121 OE2 GLU C 56 23.486 15.843 12.576 1.00 25.65 O ATOM 0 H GLU C 56 24.489 14.087 17.395 1.00 30.14 H new ATOM 0 HA GLU C 56 23.277 12.691 15.232 1.00 27.75 H new ATOM 0 HB2 GLU C 56 22.257 14.600 16.436 1.00 27.30 H new ATOM 0 HB3 GLU C 56 23.520 15.660 15.841 1.00 27.30 H new ATOM 0 HG2 GLU C 56 22.036 14.142 13.756 1.00 26.34 H new ATOM 0 HG3 GLU C 56 21.096 15.329 14.640 1.00 26.34 H new ATOM 1128 N ARG C 57 25.790 14.722 14.532 1.00 27.16 N ATOM 1129 CA ARG C 57 26.795 15.037 13.526 1.00 26.87 C ATOM 1130 C ARG C 57 27.664 13.817 13.249 1.00 25.32 C ATOM 1131 O ARG C 57 27.948 13.489 12.097 1.00 24.63 O ATOM 1132 CB ARG C 57 27.665 16.207 13.985 1.00 28.51 C ATOM 1133 CG ARG C 57 26.880 17.484 14.244 1.00 29.62 C ATOM 1134 CD ARG C 57 27.107 18.510 13.145 1.00 30.52 C ATOM 1135 NE ARG C 57 27.132 19.874 13.667 1.00 33.11 N ATOM 1136 CZ ARG C 57 26.987 20.955 12.908 1.00 34.05 C ATOM 1137 NH1 ARG C 57 26.804 20.830 11.601 1.00 32.62 N ATOM 1138 NH2 ARG C 57 27.023 22.162 13.456 1.00 36.50 N ATOM 0 H ARG C 57 25.878 15.256 15.397 1.00 27.16 H new ATOM 0 HA ARG C 57 26.284 15.323 12.607 1.00 26.87 H new ATOM 0 HB2 ARG C 57 28.191 15.922 14.896 1.00 28.51 H new ATOM 0 HB3 ARG C 57 28.424 16.404 13.228 1.00 28.51 H new ATOM 0 HG2 ARG C 57 25.817 17.252 14.312 1.00 29.62 H new ATOM 0 HG3 ARG C 57 27.176 17.906 15.204 1.00 29.62 H new ATOM 0 HD2 ARG C 57 28.049 18.298 12.640 1.00 30.52 H new ATOM 0 HD3 ARG C 57 26.318 18.422 12.398 1.00 30.52 H new ATOM 0 HE ARG C 57 27.268 20.004 14.669 1.00 33.11 H new ATOM 0 HH11 ARG C 57 26.774 19.903 11.177 1.00 32.62 H new ATOM 0 HH12 ARG C 57 26.693 21.661 11.020 1.00 32.62 H new ATOM 0 HH21 ARG C 57 27.162 22.262 14.462 1.00 36.50 H new ATOM 0 HH22 ARG C 57 26.912 22.991 12.872 1.00 36.50 H new ATOM 1152 N LEU C 58 28.073 13.143 14.318 1.00 25.02 N ATOM 1153 CA LEU C 58 28.902 11.950 14.200 1.00 23.74 C ATOM 1154 C LEU C 58 28.247 10.936 13.269 1.00 22.03 C ATOM 1155 O LEU C 58 28.876 10.436 12.336 1.00 22.38 O ATOM 1156 CB LEU C 58 29.127 11.323 15.578 1.00 23.22 C ATOM 1157 CG LEU C 58 30.327 11.869 16.351 1.00 25.04 C ATOM 1158 CD1 LEU C 58 30.553 11.068 17.624 1.00 25.00 C ATOM 1159 CD2 LEU C 58 31.574 11.848 15.479 1.00 25.16 C ATOM 0 H LEU C 58 27.843 13.403 15.277 1.00 25.02 H new ATOM 0 HA LEU C 58 29.865 12.240 13.781 1.00 23.74 H new ATOM 0 HB2 LEU C 58 28.230 11.472 16.178 1.00 23.22 H new ATOM 0 HB3 LEU C 58 29.253 10.247 15.454 1.00 23.22 H new ATOM 0 HG LEU C 58 30.117 12.902 16.629 1.00 25.04 H new ATOM 0 HD11 LEU C 58 31.412 11.472 18.160 1.00 25.00 H new ATOM 0 HD12 LEU C 58 29.667 11.132 18.256 1.00 25.00 H new ATOM 0 HD13 LEU C 58 30.742 10.025 17.369 1.00 25.00 H new ATOM 0 HD21 LEU C 58 32.420 12.240 16.044 1.00 25.16 H new ATOM 0 HD22 LEU C 58 31.786 10.824 15.172 1.00 25.16 H new ATOM 0 HD23 LEU C 58 31.411 12.465 14.596 1.00 25.16 H new ATOM 1171 N ALA C 59 26.976 10.644 13.528 1.00 20.25 N ATOM 1172 CA ALA C 59 26.229 9.695 12.712 1.00 18.65 C ATOM 1173 C ALA C 59 26.338 10.049 11.233 1.00 19.27 C ATOM 1174 O ALA C 59 26.435 9.168 10.379 1.00 19.74 O ATOM 1175 CB ALA C 59 24.771 9.663 13.145 1.00 17.40 C ATOM 0 H ALA C 59 26.443 11.051 14.296 1.00 20.25 H new ATOM 0 HA ALA C 59 26.659 8.704 12.856 1.00 18.65 H new ATOM 0 HB1 ALA C 59 24.224 8.950 12.528 1.00 17.40 H new ATOM 0 HB2 ALA C 59 24.708 9.361 14.190 1.00 17.40 H new ATOM 0 HB3 ALA C 59 24.335 10.655 13.027 1.00 17.40 H new ATOM 1181 N ASP C 60 26.324 11.345 10.941 1.00 19.34 N ATOM 1182 CA ASP C 60 26.426 11.820 9.566 1.00 19.90 C ATOM 1183 C ASP C 60 27.878 11.817 9.101 1.00 20.74 C ATOM 1184 O ASP C 60 28.159 11.699 7.909 1.00 20.91 O ATOM 1185 CB ASP C 60 25.842 13.229 9.446 1.00 19.77 C ATOM 1186 CG ASP C 60 25.009 13.404 8.191 1.00 18.43 C ATOM 1187 OD1 ASP C 60 24.121 12.561 7.945 1.00 18.30 O ATOM 1188 OD2 ASP C 60 25.244 14.385 7.454 1.00 17.63 O ATOM 0 H ASP C 60 26.243 12.085 11.638 1.00 19.34 H new ATOM 0 HA ASP C 60 25.856 11.144 8.929 1.00 19.90 H new ATOM 0 HB2 ASP C 60 25.226 13.440 10.320 1.00 19.77 H new ATOM 0 HB3 ASP C 60 26.653 13.957 9.445 1.00 19.77 H new ATOM 1193 N GLU C 61 28.796 11.944 10.053 1.00 21.28 N ATOM 1194 CA GLU C 61 30.221 11.954 9.746 1.00 22.11 C ATOM 1195 C GLU C 61 30.702 10.557 9.371 1.00 22.07 C ATOM 1196 O GLU C 61 31.340 10.364 8.337 1.00 22.76 O ATOM 1197 CB GLU C 61 31.018 12.479 10.941 1.00 22.23 C ATOM 1198 CG GLU C 61 32.281 13.227 10.548 1.00 22.03 C ATOM 1199 CD GLU C 61 32.984 13.850 11.738 1.00 22.29 C ATOM 1200 OE1 GLU C 61 32.347 13.976 12.804 1.00 22.79 O ATOM 1201 OE2 GLU C 61 34.171 14.213 11.602 1.00 22.21 O ATOM 0 H GLU C 61 28.578 12.042 11.045 1.00 21.28 H new ATOM 0 HA GLU C 61 30.382 12.616 8.895 1.00 22.11 H new ATOM 0 HB2 GLU C 61 30.382 13.141 11.529 1.00 22.23 H new ATOM 0 HB3 GLU C 61 31.287 11.641 11.584 1.00 22.23 H new ATOM 0 HG2 GLU C 61 32.963 12.541 10.046 1.00 22.03 H new ATOM 0 HG3 GLU C 61 32.028 14.008 9.831 1.00 22.03 H new ATOM 1208 N GLN C 62 30.387 9.587 10.220 1.00 21.27 N ATOM 1209 CA GLN C 62 30.782 8.203 9.982 1.00 21.17 C ATOM 1210 C GLN C 62 30.162 7.679 8.692 1.00 19.18 C ATOM 1211 O GLN C 62 30.782 6.904 7.962 1.00 19.74 O ATOM 1212 CB GLN C 62 30.364 7.320 11.159 1.00 20.92 C ATOM 1213 CG GLN C 62 30.835 7.839 12.507 1.00 23.62 C ATOM 1214 CD GLN C 62 32.341 7.768 12.666 1.00 24.54 C ATOM 1215 OE1 GLN C 62 33.027 7.095 11.898 1.00 24.59 O ATOM 1216 NE2 GLN C 62 32.864 8.465 13.668 1.00 25.31 N ATOM 0 H GLN C 62 29.859 9.732 11.080 1.00 21.27 H new ATOM 0 HA GLN C 62 31.867 8.171 9.884 1.00 21.17 H new ATOM 0 HB2 GLN C 62 29.277 7.236 11.171 1.00 20.92 H new ATOM 0 HB3 GLN C 62 30.760 6.316 11.007 1.00 20.92 H new ATOM 0 HG2 GLN C 62 30.509 8.872 12.628 1.00 23.62 H new ATOM 0 HG3 GLN C 62 30.362 7.260 13.300 1.00 23.62 H new ATOM 0 HE21 GLN C 62 32.258 9.010 14.281 1.00 25.31 H new ATOM 0 HE22 GLN C 62 33.872 8.456 13.824 1.00 25.31 H new ATOM 1225 N SER C 63 28.936 8.110 8.414 1.00 17.04 N ATOM 1226 CA SER C 63 28.234 7.687 7.211 1.00 15.21 C ATOM 1227 C SER C 63 28.946 8.201 5.963 1.00 15.05 C ATOM 1228 O SER C 63 29.011 7.511 4.945 1.00 13.33 O ATOM 1229 CB SER C 63 26.789 8.190 7.232 1.00 15.47 C ATOM 1230 OG SER C 63 26.735 9.581 7.497 1.00 17.18 O ATOM 0 H SER C 63 28.409 8.752 9.006 1.00 17.04 H new ATOM 0 HA SER C 63 28.229 6.597 7.186 1.00 15.21 H new ATOM 0 HB2 SER C 63 26.314 7.981 6.273 1.00 15.47 H new ATOM 0 HB3 SER C 63 26.224 7.650 7.992 1.00 15.47 H new ATOM 0 HG SER C 63 27.646 9.939 7.555 1.00 17.18 H new ATOM 1236 N GLU C 64 29.483 9.413 6.053 1.00 17.12 N ATOM 1237 CA GLU C 64 30.195 10.018 4.933 1.00 17.64 C ATOM 1238 C GLU C 64 31.333 9.116 4.469 1.00 16.66 C ATOM 1239 O GLU C 64 31.407 8.744 3.298 1.00 16.61 O ATOM 1240 CB GLU C 64 30.745 11.390 5.329 1.00 20.41 C ATOM 1241 CG GLU C 64 31.406 12.133 4.180 1.00 22.20 C ATOM 1242 CD GLU C 64 32.689 12.827 4.596 1.00 24.85 C ATOM 1243 OE1 GLU C 64 32.732 13.371 5.719 1.00 26.20 O ATOM 1244 OE2 GLU C 64 33.649 12.826 3.799 1.00 25.70 O ATOM 0 H GLU C 64 29.439 9.995 6.889 1.00 17.12 H new ATOM 0 HA GLU C 64 29.491 10.143 4.110 1.00 17.64 H new ATOM 0 HB2 GLU C 64 29.932 11.998 5.724 1.00 20.41 H new ATOM 0 HB3 GLU C 64 31.469 11.264 6.134 1.00 20.41 H new ATOM 0 HG2 GLU C 64 31.622 11.431 3.374 1.00 22.20 H new ATOM 0 HG3 GLU C 64 30.710 12.872 3.782 1.00 22.20 H new ATOM 1251 N LEU C 65 32.218 8.764 5.398 1.00 15.96 N ATOM 1252 CA LEU C 65 33.350 7.900 5.084 1.00 15.09 C ATOM 1253 C LEU C 65 32.879 6.639 4.366 1.00 14.21 C ATOM 1254 O LEU C 65 33.539 6.150 3.450 1.00 14.59 O ATOM 1255 CB LEU C 65 34.105 7.524 6.362 1.00 15.15 C ATOM 1256 CG LEU C 65 34.761 8.695 7.096 1.00 15.53 C ATOM 1257 CD1 LEU C 65 34.471 8.618 8.587 1.00 14.26 C ATOM 1258 CD2 LEU C 65 36.261 8.709 6.843 1.00 17.34 C ATOM 0 H LEU C 65 32.172 9.064 6.372 1.00 15.96 H new ATOM 0 HA LEU C 65 34.024 8.446 4.424 1.00 15.09 H new ATOM 0 HB2 LEU C 65 33.412 7.031 7.043 1.00 15.15 H new ATOM 0 HB3 LEU C 65 34.876 6.796 6.109 1.00 15.15 H new ATOM 0 HG LEU C 65 34.339 9.624 6.711 1.00 15.53 H new ATOM 0 HD11 LEU C 65 34.945 9.459 9.094 1.00 14.26 H new ATOM 0 HD12 LEU C 65 33.394 8.656 8.751 1.00 14.26 H new ATOM 0 HD13 LEU C 65 34.866 7.684 8.987 1.00 14.26 H new ATOM 0 HD21 LEU C 65 36.711 9.548 7.373 1.00 17.34 H new ATOM 0 HD22 LEU C 65 36.699 7.777 7.201 1.00 17.34 H new ATOM 0 HD23 LEU C 65 36.449 8.811 5.774 1.00 17.34 H new ATOM 1270 N VAL C 66 31.730 6.122 4.789 1.00 13.32 N ATOM 1271 CA VAL C 66 31.163 4.924 4.189 1.00 12.54 C ATOM 1272 C VAL C 66 30.667 5.206 2.775 1.00 10.93 C ATOM 1273 O VAL C 66 31.002 4.488 1.833 1.00 10.75 O ATOM 1274 CB VAL C 66 29.997 4.373 5.033 1.00 13.24 C ATOM 1275 CG1 VAL C 66 29.411 3.123 4.393 1.00 12.51 C ATOM 1276 CG2 VAL C 66 30.458 4.086 6.454 1.00 15.03 C ATOM 0 H VAL C 66 31.173 6.517 5.547 1.00 13.32 H new ATOM 0 HA VAL C 66 31.957 4.178 4.152 1.00 12.54 H new ATOM 0 HB VAL C 66 29.214 5.130 5.073 1.00 13.24 H new ATOM 0 HG11 VAL C 66 28.590 2.751 5.006 1.00 12.51 H new ATOM 0 HG12 VAL C 66 29.040 3.364 3.397 1.00 12.51 H new ATOM 0 HG13 VAL C 66 30.183 2.357 4.318 1.00 12.51 H new ATOM 0 HG21 VAL C 66 29.622 3.698 7.036 1.00 15.03 H new ATOM 0 HG22 VAL C 66 31.260 3.348 6.434 1.00 15.03 H new ATOM 0 HG23 VAL C 66 30.822 5.006 6.911 1.00 15.03 H new ATOM 1286 N LYS C 67 29.867 6.259 2.636 1.00 10.21 N ATOM 1287 CA LYS C 67 29.326 6.641 1.337 1.00 8.72 C ATOM 1288 C LYS C 67 30.446 6.896 0.337 1.00 8.20 C ATOM 1289 O LYS C 67 30.358 6.497 -0.825 1.00 7.83 O ATOM 1290 CB LYS C 67 28.453 7.890 1.474 1.00 10.03 C ATOM 1291 CG LYS C 67 27.965 8.440 0.143 1.00 10.95 C ATOM 1292 CD LYS C 67 27.395 9.841 0.296 1.00 12.05 C ATOM 1293 CE LYS C 67 27.215 10.520 -1.052 1.00 12.55 C ATOM 1294 NZ LYS C 67 28.395 11.351 -1.418 1.00 12.56 N ATOM 0 H LYS C 67 29.580 6.862 3.407 1.00 10.21 H new ATOM 0 HA LYS C 67 28.715 5.818 0.968 1.00 8.72 H new ATOM 0 HB2 LYS C 67 27.591 7.654 2.098 1.00 10.03 H new ATOM 0 HB3 LYS C 67 29.019 8.664 1.992 1.00 10.03 H new ATOM 0 HG2 LYS C 67 28.790 8.457 -0.569 1.00 10.95 H new ATOM 0 HG3 LYS C 67 27.202 7.778 -0.268 1.00 10.95 H new ATOM 0 HD2 LYS C 67 26.435 9.790 0.810 1.00 12.05 H new ATOM 0 HD3 LYS C 67 28.059 10.439 0.920 1.00 12.05 H new ATOM 0 HE2 LYS C 67 27.051 9.764 -1.820 1.00 12.55 H new ATOM 0 HE3 LYS C 67 26.324 11.147 -1.026 1.00 12.55 H new ATOM 0 HZ1 LYS C 67 28.232 11.797 -2.344 1.00 12.56 H new ATOM 0 HZ2 LYS C 67 28.537 12.089 -0.699 1.00 12.56 H new ATOM 0 HZ3 LYS C 67 29.242 10.749 -1.468 1.00 12.56 H new ATOM 1308 N LYS C 68 31.503 7.560 0.795 1.00 8.71 N ATOM 1309 CA LYS C 68 32.643 7.862 -0.064 1.00 9.00 C ATOM 1310 C LYS C 68 33.273 6.579 -0.590 1.00 8.87 C ATOM 1311 O LYS C 68 33.695 6.510 -1.745 1.00 10.57 O ATOM 1312 CB LYS C 68 33.684 8.682 0.700 1.00 11.24 C ATOM 1313 CG LYS C 68 34.969 8.910 -0.082 1.00 12.25 C ATOM 1314 CD LYS C 68 35.518 10.309 0.146 1.00 11.88 C ATOM 1315 CE LYS C 68 36.115 10.454 1.536 1.00 12.49 C ATOM 1316 NZ LYS C 68 36.360 11.880 1.890 1.00 12.57 N ATOM 0 H LYS C 68 31.594 7.898 1.753 1.00 8.71 H new ATOM 0 HA LYS C 68 32.286 8.447 -0.911 1.00 9.00 H new ATOM 0 HB2 LYS C 68 33.252 9.647 0.964 1.00 11.24 H new ATOM 0 HB3 LYS C 68 33.922 8.173 1.634 1.00 11.24 H new ATOM 0 HG2 LYS C 68 35.714 8.172 0.217 1.00 12.25 H new ATOM 0 HG3 LYS C 68 34.781 8.760 -1.145 1.00 12.25 H new ATOM 0 HD2 LYS C 68 36.279 10.529 -0.603 1.00 11.88 H new ATOM 0 HD3 LYS C 68 34.720 11.040 0.014 1.00 11.88 H new ATOM 0 HE2 LYS C 68 35.442 10.009 2.268 1.00 12.49 H new ATOM 0 HE3 LYS C 68 37.053 9.901 1.588 1.00 12.49 H new ATOM 0 HZ1 LYS C 68 36.767 11.935 2.845 1.00 12.57 H new ATOM 0 HZ2 LYS C 68 37.023 12.299 1.206 1.00 12.57 H new ATOM 0 HZ3 LYS C 68 35.461 12.403 1.866 1.00 12.57 H new ATOM 1330 N MET C 69 33.327 5.562 0.264 1.00 7.24 N ATOM 1331 CA MET C 69 33.899 4.276 -0.115 1.00 7.33 C ATOM 1332 C MET C 69 33.070 3.625 -1.217 1.00 5.94 C ATOM 1333 O MET C 69 33.614 3.109 -2.193 1.00 5.92 O ATOM 1334 CB MET C 69 33.975 3.349 1.100 1.00 7.66 C ATOM 1335 CG MET C 69 34.438 1.941 0.763 1.00 7.14 C ATOM 1336 SD MET C 69 34.541 0.879 2.216 1.00 7.38 S ATOM 1337 CE MET C 69 32.912 1.112 2.925 1.00 7.29 C ATOM 0 H MET C 69 32.982 5.604 1.223 1.00 7.24 H new ATOM 0 HA MET C 69 34.907 4.447 -0.492 1.00 7.33 H new ATOM 0 HB2 MET C 69 34.656 3.781 1.834 1.00 7.66 H new ATOM 0 HB3 MET C 69 32.992 3.297 1.569 1.00 7.66 H new ATOM 0 HG2 MET C 69 33.750 1.499 0.042 1.00 7.14 H new ATOM 0 HG3 MET C 69 35.415 1.989 0.283 1.00 7.14 H new ATOM 0 HE1 MET C 69 32.650 0.243 3.528 1.00 7.29 H new ATOM 0 HE2 MET C 69 32.913 2.003 3.553 1.00 7.29 H new ATOM 0 HE3 MET C 69 32.181 1.232 2.125 1.00 7.29 H new ATOM 1347 N VAL C 70 31.751 3.657 -1.054 1.00 5.59 N ATOM 1348 CA VAL C 70 30.848 3.074 -2.036 1.00 6.30 C ATOM 1349 C VAL C 70 30.899 3.843 -3.350 1.00 6.46 C ATOM 1350 O VAL C 70 30.937 3.248 -4.425 1.00 6.33 O ATOM 1351 CB VAL C 70 29.394 3.038 -1.517 1.00 7.07 C ATOM 1352 CG1 VAL C 70 28.442 2.524 -2.589 1.00 8.98 C ATOM 1353 CG2 VAL C 70 29.305 2.181 -0.267 1.00 5.36 C ATOM 0 H VAL C 70 31.286 4.081 -0.251 1.00 5.59 H new ATOM 0 HA VAL C 70 31.182 2.051 -2.208 1.00 6.30 H new ATOM 0 HB VAL C 70 29.095 4.056 -1.266 1.00 7.07 H new ATOM 0 HG11 VAL C 70 27.425 2.509 -2.196 1.00 8.98 H new ATOM 0 HG12 VAL C 70 28.485 3.180 -3.459 1.00 8.98 H new ATOM 0 HG13 VAL C 70 28.733 1.515 -2.880 1.00 8.98 H new ATOM 0 HG21 VAL C 70 28.275 2.163 0.089 1.00 5.36 H new ATOM 0 HG22 VAL C 70 29.626 1.165 -0.498 1.00 5.36 H new ATOM 0 HG23 VAL C 70 29.950 2.598 0.507 1.00 5.36 H new ATOM 1363 N PHE C 71 30.900 5.169 -3.265 1.00 7.13 N ATOM 1364 CA PHE C 71 30.947 5.996 -4.462 1.00 7.64 C ATOM 1365 C PHE C 71 32.125 5.598 -5.343 1.00 8.42 C ATOM 1366 O PHE C 71 31.943 5.191 -6.488 1.00 8.70 O ATOM 1367 CB PHE C 71 31.048 7.479 -4.102 1.00 7.75 C ATOM 1368 CG PHE C 71 31.195 8.362 -5.307 1.00 8.21 C ATOM 1369 CD1 PHE C 71 30.337 8.210 -6.404 1.00 8.18 C ATOM 1370 CD2 PHE C 71 32.197 9.341 -5.361 1.00 9.19 C ATOM 1371 CE1 PHE C 71 30.474 9.019 -7.535 1.00 8.84 C ATOM 1372 CE2 PHE C 71 32.338 10.155 -6.490 1.00 10.15 C ATOM 1373 CZ PHE C 71 31.474 9.991 -7.578 1.00 9.87 C ATOM 0 H PHE C 71 30.869 5.689 -2.388 1.00 7.13 H new ATOM 0 HA PHE C 71 30.020 5.835 -5.013 1.00 7.64 H new ATOM 0 HB2 PHE C 71 30.158 7.775 -3.547 1.00 7.75 H new ATOM 0 HB3 PHE C 71 31.901 7.630 -3.440 1.00 7.75 H new ATOM 0 HD1 PHE C 71 29.561 7.459 -6.375 1.00 8.18 H new ATOM 0 HD2 PHE C 71 32.866 9.468 -4.523 1.00 9.19 H new ATOM 0 HE1 PHE C 71 29.807 8.892 -8.375 1.00 8.84 H new ATOM 0 HE2 PHE C 71 33.112 10.908 -6.522 1.00 10.15 H new ATOM 0 HZ PHE C 71 31.581 10.617 -8.452 1.00 9.87 H new ATOM 1383 N ASP C 72 33.332 5.715 -4.801 1.00 8.80 N ATOM 1384 CA ASP C 72 34.536 5.362 -5.546 1.00 9.61 C ATOM 1385 C ASP C 72 34.426 3.947 -6.102 1.00 10.10 C ATOM 1386 O ASP C 72 34.795 3.690 -7.248 1.00 11.37 O ATOM 1387 CB ASP C 72 35.770 5.483 -4.651 1.00 9.66 C ATOM 1388 CG ASP C 72 37.054 5.601 -5.449 1.00 9.70 C ATOM 1389 OD1 ASP C 72 37.443 6.739 -5.783 1.00 11.09 O ATOM 1390 OD2 ASP C 72 37.669 4.554 -5.742 1.00 8.65 O ATOM 0 H ASP C 72 33.503 6.050 -3.853 1.00 8.80 H new ATOM 0 HA ASP C 72 34.639 6.055 -6.381 1.00 9.61 H new ATOM 0 HB2 ASP C 72 35.664 6.356 -4.007 1.00 9.66 H new ATOM 0 HB3 ASP C 72 35.829 4.611 -3.999 1.00 9.66 H new ATOM 1395 N THR C 73 33.909 3.034 -5.285 1.00 9.44 N ATOM 1396 CA THR C 73 33.744 1.647 -5.701 1.00 9.77 C ATOM 1397 C THR C 73 32.690 1.546 -6.798 1.00 11.22 C ATOM 1398 O THR C 73 33.005 1.260 -7.953 1.00 12.86 O ATOM 1399 CB THR C 73 33.349 0.776 -4.501 1.00 7.75 C ATOM 1400 OG1 THR C 73 34.434 0.645 -3.601 1.00 7.09 O ATOM 1401 CG2 THR C 73 32.901 -0.622 -4.881 1.00 6.31 C ATOM 0 H THR C 73 33.598 3.230 -4.334 1.00 9.44 H new ATOM 0 HA THR C 73 34.693 1.286 -6.096 1.00 9.77 H new ATOM 0 HB THR C 73 32.506 1.293 -4.042 1.00 7.75 H new ATOM 0 HG1 THR C 73 34.429 1.396 -2.971 1.00 7.09 H new ATOM 0 HG21 THR C 73 32.638 -1.177 -3.981 1.00 6.31 H new ATOM 0 HG22 THR C 73 32.032 -0.560 -5.536 1.00 6.31 H new ATOM 0 HG23 THR C 73 33.711 -1.135 -5.400 1.00 6.31 H new ATOM 1409 N LEU C 74 31.437 1.784 -6.427 1.00 10.94 N ATOM 1410 CA LEU C 74 30.334 1.721 -7.378 1.00 12.70 C ATOM 1411 C LEU C 74 30.632 2.552 -8.621 1.00 12.89 C ATOM 1412 O LEU C 74 30.282 2.165 -9.735 1.00 13.70 O ATOM 1413 CB LEU C 74 29.039 2.201 -6.719 1.00 13.40 C ATOM 1414 CG LEU C 74 28.495 1.284 -5.620 1.00 12.00 C ATOM 1415 CD1 LEU C 74 27.034 1.598 -5.341 1.00 14.26 C ATOM 1416 CD2 LEU C 74 28.663 -0.180 -6.007 1.00 10.47 C ATOM 0 H LEU C 74 31.160 2.022 -5.475 1.00 10.94 H new ATOM 0 HA LEU C 74 30.212 0.683 -7.686 1.00 12.70 H new ATOM 0 HB2 LEU C 74 29.210 3.190 -6.295 1.00 13.40 H new ATOM 0 HB3 LEU C 74 28.276 2.312 -7.490 1.00 13.40 H new ATOM 0 HG LEU C 74 29.067 1.464 -4.710 1.00 12.00 H new ATOM 0 HD11 LEU C 74 26.663 0.937 -4.557 1.00 14.26 H new ATOM 0 HD12 LEU C 74 26.940 2.634 -5.016 1.00 14.26 H new ATOM 0 HD13 LEU C 74 26.450 1.448 -6.249 1.00 14.26 H new ATOM 0 HD21 LEU C 74 28.270 -0.814 -5.212 1.00 10.47 H new ATOM 0 HD22 LEU C 74 28.119 -0.377 -6.931 1.00 10.47 H new ATOM 0 HD23 LEU C 74 29.721 -0.398 -6.155 1.00 10.47 H new ATOM 1428 N LYS C 75 31.290 3.687 -8.424 1.00 12.16 N ATOM 1429 CA LYS C 75 31.648 4.563 -9.536 1.00 12.26 C ATOM 1430 C LYS C 75 32.399 3.774 -10.600 1.00 12.56 C ATOM 1431 O LYS C 75 31.874 3.505 -11.681 1.00 13.37 O ATOM 1432 CB LYS C 75 32.508 5.730 -9.038 1.00 10.47 C ATOM 1433 CG LYS C 75 33.156 6.540 -10.150 1.00 10.63 C ATOM 1434 CD LYS C 75 33.336 7.997 -9.749 1.00 10.11 C ATOM 1435 CE LYS C 75 34.793 8.422 -9.838 1.00 9.31 C ATOM 1436 NZ LYS C 75 35.004 9.468 -10.877 1.00 10.88 N ATOM 0 H LYS C 75 31.587 4.023 -7.508 1.00 12.16 H new ATOM 0 HA LYS C 75 30.735 4.966 -9.974 1.00 12.26 H new ATOM 0 HB2 LYS C 75 31.888 6.393 -8.434 1.00 10.47 H new ATOM 0 HB3 LYS C 75 33.288 5.340 -8.385 1.00 10.47 H new ATOM 0 HG2 LYS C 75 34.125 6.108 -10.398 1.00 10.63 H new ATOM 0 HG3 LYS C 75 32.542 6.482 -11.049 1.00 10.63 H new ATOM 0 HD2 LYS C 75 32.730 8.631 -10.396 1.00 10.11 H new ATOM 0 HD3 LYS C 75 32.975 8.143 -8.731 1.00 10.11 H new ATOM 0 HE2 LYS C 75 35.120 8.801 -8.870 1.00 9.31 H new ATOM 0 HE3 LYS C 75 35.411 7.554 -10.066 1.00 9.31 H new ATOM 0 HZ1 LYS C 75 36.010 9.730 -10.906 1.00 10.88 H new ATOM 0 HZ2 LYS C 75 34.716 9.098 -11.805 1.00 10.88 H new ATOM 0 HZ3 LYS C 75 34.434 10.307 -10.646 1.00 10.88 H new ATOM 1450 N ASP C 76 33.630 3.405 -10.278 1.00 12.33 N ATOM 1451 CA ASP C 76 34.466 2.641 -11.196 1.00 13.24 C ATOM 1452 C ASP C 76 33.828 1.293 -11.522 1.00 15.18 C ATOM 1453 O ASP C 76 33.993 0.771 -12.625 1.00 16.71 O ATOM 1454 CB ASP C 76 35.855 2.425 -10.592 1.00 12.47 C ATOM 1455 CG ASP C 76 36.958 2.541 -11.625 1.00 14.20 C ATOM 1456 OD1 ASP C 76 36.947 3.522 -12.398 1.00 14.95 O ATOM 1457 OD2 ASP C 76 37.834 1.652 -11.661 1.00 15.18 O ATOM 0 H ASP C 76 34.074 3.622 -9.386 1.00 12.33 H new ATOM 0 HA ASP C 76 34.561 3.211 -12.120 1.00 13.24 H new ATOM 0 HB2 ASP C 76 36.022 3.157 -9.802 1.00 12.47 H new ATOM 0 HB3 ASP C 76 35.897 1.440 -10.128 1.00 12.47 H new ATOM 1462 N LEU C 77 33.099 0.733 -10.560 1.00 15.26 N ATOM 1463 CA LEU C 77 32.440 -0.552 -10.753 1.00 17.14 C ATOM 1464 C LEU C 77 31.412 -0.471 -11.880 1.00 19.27 C ATOM 1465 O LEU C 77 31.502 -1.199 -12.867 1.00 21.15 O ATOM 1466 CB LEU C 77 31.776 -0.999 -9.442 1.00 16.66 C ATOM 1467 CG LEU C 77 30.654 -2.035 -9.573 1.00 16.72 C ATOM 1468 CD1 LEU C 77 30.996 -3.078 -10.625 1.00 15.78 C ATOM 1469 CD2 LEU C 77 30.389 -2.699 -8.230 1.00 17.13 C ATOM 0 H LEU C 77 32.951 1.150 -9.641 1.00 15.26 H new ATOM 0 HA LEU C 77 33.189 -1.291 -11.038 1.00 17.14 H new ATOM 0 HB2 LEU C 77 32.547 -1.409 -8.789 1.00 16.66 H new ATOM 0 HB3 LEU C 77 31.372 -0.117 -8.944 1.00 16.66 H new ATOM 0 HG LEU C 77 29.749 -1.519 -9.892 1.00 16.72 H new ATOM 0 HD11 LEU C 77 30.184 -3.801 -10.698 1.00 15.78 H new ATOM 0 HD12 LEU C 77 31.135 -2.590 -11.590 1.00 15.78 H new ATOM 0 HD13 LEU C 77 31.915 -3.592 -10.343 1.00 15.78 H new ATOM 0 HD21 LEU C 77 29.590 -3.432 -8.338 1.00 17.13 H new ATOM 0 HD22 LEU C 77 31.295 -3.198 -7.886 1.00 17.13 H new ATOM 0 HD23 LEU C 77 30.092 -1.943 -7.503 1.00 17.13 H new ATOM 1481 N TYR C 78 30.442 0.423 -11.726 1.00 19.11 N ATOM 1482 CA TYR C 78 29.402 0.600 -12.733 1.00 21.19 C ATOM 1483 C TYR C 78 30.000 1.065 -14.057 1.00 22.35 C ATOM 1484 O TYR C 78 29.410 0.866 -15.119 1.00 23.04 O ATOM 1485 CB TYR C 78 28.356 1.606 -12.248 1.00 22.59 C ATOM 1486 CG TYR C 78 27.574 1.137 -11.041 1.00 22.50 C ATOM 1487 CD1 TYR C 78 27.268 -0.224 -10.861 1.00 23.03 C ATOM 1488 CD2 TYR C 78 27.134 2.051 -10.069 1.00 22.33 C ATOM 1489 CE1 TYR C 78 26.545 -0.659 -9.748 1.00 23.39 C ATOM 1490 CE2 TYR C 78 26.410 1.624 -8.952 1.00 22.70 C ATOM 1491 CZ TYR C 78 26.118 0.270 -8.797 1.00 23.22 C ATOM 1492 OH TYR C 78 25.406 -0.155 -7.698 1.00 23.99 O ATOM 0 H TYR C 78 30.354 1.036 -10.915 1.00 19.11 H new ATOM 0 HA TYR C 78 28.919 -0.364 -12.893 1.00 21.19 H new ATOM 0 HB2 TYR C 78 28.853 2.545 -12.005 1.00 22.59 H new ATOM 0 HB3 TYR C 78 27.661 1.815 -13.061 1.00 22.59 H new ATOM 0 HD1 TYR C 78 27.597 -0.944 -11.595 1.00 23.03 H new ATOM 0 HD2 TYR C 78 27.359 3.101 -10.187 1.00 22.33 H new ATOM 0 HE1 TYR C 78 26.318 -1.707 -9.624 1.00 23.39 H new ATOM 0 HE2 TYR C 78 26.079 2.339 -8.213 1.00 22.70 H new ATOM 0 HH TYR C 78 24.463 -0.262 -7.941 1.00 23.99 H new ATOM 1502 N LYS C 79 31.174 1.685 -13.989 1.00 22.65 N ATOM 1503 CA LYS C 79 31.849 2.172 -15.186 1.00 23.91 C ATOM 1504 C LYS C 79 32.460 1.013 -15.967 1.00 23.63 C ATOM 1505 O LYS C 79 32.525 1.044 -17.196 1.00 23.55 O ATOM 1506 CB LYS C 79 32.937 3.181 -14.811 1.00 23.05 C ATOM 1507 CG LYS C 79 32.511 4.629 -14.995 1.00 24.96 C ATOM 1508 CD LYS C 79 33.711 5.560 -15.045 1.00 25.71 C ATOM 1509 CE LYS C 79 33.574 6.584 -16.162 1.00 27.10 C ATOM 1510 NZ LYS C 79 34.611 6.399 -17.215 1.00 28.10 N ATOM 0 H LYS C 79 31.677 1.862 -13.119 1.00 22.65 H new ATOM 0 HA LYS C 79 31.111 2.667 -15.817 1.00 23.91 H new ATOM 0 HB2 LYS C 79 33.224 3.024 -13.771 1.00 23.05 H new ATOM 0 HB3 LYS C 79 33.822 2.991 -15.418 1.00 23.05 H new ATOM 0 HG2 LYS C 79 31.935 4.726 -15.915 1.00 24.96 H new ATOM 0 HG3 LYS C 79 31.855 4.923 -14.176 1.00 24.96 H new ATOM 0 HD2 LYS C 79 33.815 6.074 -14.089 1.00 25.71 H new ATOM 0 HD3 LYS C 79 34.620 4.977 -15.194 1.00 25.71 H new ATOM 0 HE2 LYS C 79 32.583 6.503 -16.610 1.00 27.10 H new ATOM 0 HE3 LYS C 79 33.654 7.588 -15.746 1.00 27.10 H new ATOM 0 HZ1 LYS C 79 34.483 7.116 -17.958 1.00 28.10 H new ATOM 0 HZ2 LYS C 79 35.556 6.502 -16.793 1.00 28.10 H new ATOM 0 HZ3 LYS C 79 34.519 5.450 -17.630 1.00 28.10 H new ATOM 1524 N LYS C 80 32.903 -0.011 -15.243 1.00 23.62 N ATOM 1525 CA LYS C 80 33.506 -1.182 -15.866 1.00 23.55 C ATOM 1526 C LYS C 80 32.460 -1.988 -16.628 1.00 26.34 C ATOM 1527 O LYS C 80 32.750 -2.572 -17.672 1.00 26.95 O ATOM 1528 CB LYS C 80 34.174 -2.061 -14.808 1.00 21.98 C ATOM 1529 CG LYS C 80 35.343 -2.874 -15.342 1.00 21.27 C ATOM 1530 CD LYS C 80 34.932 -4.304 -15.646 1.00 23.52 C ATOM 1531 CE LYS C 80 36.133 -5.237 -15.657 1.00 23.54 C ATOM 1532 NZ LYS C 80 35.748 -6.635 -15.993 1.00 25.53 N ATOM 0 H LYS C 80 32.855 -0.052 -14.225 1.00 23.62 H new ATOM 0 HA LYS C 80 34.262 -0.840 -16.573 1.00 23.55 H new ATOM 0 HB2 LYS C 80 34.524 -1.430 -13.991 1.00 21.98 H new ATOM 0 HB3 LYS C 80 33.431 -2.740 -14.390 1.00 21.98 H new ATOM 0 HG2 LYS C 80 35.731 -2.405 -16.247 1.00 21.27 H new ATOM 0 HG3 LYS C 80 36.152 -2.874 -14.611 1.00 21.27 H new ATOM 0 HD2 LYS C 80 34.213 -4.643 -14.901 1.00 23.52 H new ATOM 0 HD3 LYS C 80 34.431 -4.342 -16.613 1.00 23.52 H new ATOM 0 HE2 LYS C 80 36.865 -4.878 -16.381 1.00 23.54 H new ATOM 0 HE3 LYS C 80 36.616 -5.218 -14.680 1.00 23.54 H new ATOM 0 HZ1 LYS C 80 36.595 -7.239 -15.990 1.00 25.53 H new ATOM 0 HZ2 LYS C 80 35.069 -6.987 -15.288 1.00 25.53 H new ATOM 0 HZ3 LYS C 80 35.310 -6.657 -16.936 1.00 25.53 H new ATOM 1546 N THR C 81 31.242 -2.016 -16.097 1.00 28.02 N ATOM 1547 CA THR C 81 30.149 -2.751 -16.725 1.00 30.76 C ATOM 1548 C THR C 81 29.931 -2.281 -18.158 1.00 31.87 C ATOM 1549 O THR C 81 30.382 -2.922 -19.108 1.00 31.40 O ATOM 1550 CB THR C 81 28.861 -2.577 -15.918 1.00 32.18 C ATOM 1551 OG1 THR C 81 28.992 -1.519 -14.985 1.00 30.70 O ATOM 1552 CG2 THR C 81 28.462 -3.818 -15.149 1.00 32.96 C ATOM 0 H THR C 81 30.987 -1.538 -15.233 1.00 28.02 H new ATOM 0 HA THR C 81 30.418 -3.807 -16.745 1.00 30.76 H new ATOM 0 HB THR C 81 28.087 -2.361 -16.655 1.00 32.18 H new ATOM 0 HG1 THR C 81 29.148 -0.678 -15.464 1.00 30.70 H new ATOM 0 HG21 THR C 81 27.541 -3.625 -14.599 1.00 32.96 H new ATOM 0 HG22 THR C 81 28.303 -4.642 -15.845 1.00 32.96 H new ATOM 0 HG23 THR C 81 29.254 -4.082 -14.448 1.00 32.96 H new ATOM 1616 N ASP D 54 25.276 7.185 -16.803 1.00 33.32 N ATOM 1617 CA ASP D 54 24.408 6.431 -15.905 1.00 31.58 C ATOM 1618 C ASP D 54 25.215 5.778 -14.789 1.00 30.84 C ATOM 1619 O ASP D 54 24.797 5.767 -13.631 1.00 30.60 O ATOM 1620 CB ASP D 54 23.636 5.366 -16.684 1.00 32.48 C ATOM 1621 CG ASP D 54 22.210 5.786 -16.981 1.00 31.52 C ATOM 1622 OD1 ASP D 54 21.881 6.969 -16.754 1.00 32.16 O ATOM 1623 OD2 ASP D 54 21.424 4.932 -17.441 1.00 30.32 O ATOM 0 HA ASP D 54 23.699 7.127 -15.456 1.00 31.58 H new ATOM 0 HB2 ASP D 54 24.153 5.159 -17.621 1.00 32.48 H new ATOM 0 HB3 ASP D 54 23.627 4.438 -16.113 1.00 32.48 H new ATOM 1628 N ALA D 55 26.375 5.239 -15.144 1.00 30.54 N ATOM 1629 CA ALA D 55 27.243 4.587 -14.172 1.00 29.89 C ATOM 1630 C ALA D 55 27.498 5.499 -12.979 1.00 28.64 C ATOM 1631 O ALA D 55 27.475 5.058 -11.830 1.00 27.68 O ATOM 1632 CB ALA D 55 28.558 4.185 -14.823 1.00 30.69 C ATOM 0 H ALA D 55 26.736 5.241 -16.098 1.00 30.54 H new ATOM 0 HA ALA D 55 26.742 3.688 -13.814 1.00 29.89 H new ATOM 0 HB1 ALA D 55 29.196 3.699 -14.085 1.00 30.69 H new ATOM 0 HB2 ALA D 55 28.362 3.495 -15.643 1.00 30.69 H new ATOM 0 HB3 ALA D 55 29.060 5.073 -15.208 1.00 30.69 H new ATOM 1638 N GLU D 56 27.735 6.776 -13.261 1.00 28.68 N ATOM 1639 CA GLU D 56 27.989 7.756 -12.212 1.00 27.57 C ATOM 1640 C GLU D 56 26.707 8.075 -11.452 1.00 26.80 C ATOM 1641 O GLU D 56 26.728 8.298 -10.241 1.00 27.51 O ATOM 1642 CB GLU D 56 28.572 9.037 -12.811 1.00 27.99 C ATOM 1643 CG GLU D 56 29.392 9.851 -11.824 1.00 29.44 C ATOM 1644 CD GLU D 56 28.530 10.572 -10.806 1.00 28.33 C ATOM 1645 OE1 GLU D 56 27.320 10.741 -11.067 1.00 28.51 O ATOM 1646 OE2 GLU D 56 29.065 10.966 -9.749 1.00 27.35 O ATOM 0 H GLU D 56 27.756 7.156 -14.207 1.00 28.68 H new ATOM 0 HA GLU D 56 28.711 7.330 -11.515 1.00 27.57 H new ATOM 0 HB2 GLU D 56 29.199 8.777 -13.664 1.00 27.99 H new ATOM 0 HB3 GLU D 56 27.758 9.654 -13.190 1.00 27.99 H new ATOM 0 HG2 GLU D 56 30.087 9.192 -11.304 1.00 29.44 H new ATOM 0 HG3 GLU D 56 29.991 10.580 -12.369 1.00 29.44 H new ATOM 1653 N ARG D 57 25.589 8.090 -12.172 1.00 25.51 N ATOM 1654 CA ARG D 57 24.295 8.376 -11.566 1.00 24.92 C ATOM 1655 C ARG D 57 23.905 7.278 -10.583 1.00 22.93 C ATOM 1656 O ARG D 57 23.306 7.547 -9.541 1.00 22.53 O ATOM 1657 CB ARG D 57 23.221 8.513 -12.647 1.00 25.23 C ATOM 1658 CG ARG D 57 22.716 9.936 -12.825 1.00 25.03 C ATOM 1659 CD ARG D 57 23.625 10.740 -13.739 1.00 27.17 C ATOM 1660 NE ARG D 57 22.889 11.749 -14.494 1.00 28.26 N ATOM 1661 CZ ARG D 57 23.470 12.659 -15.270 1.00 29.07 C ATOM 1662 NH1 ARG D 57 24.789 12.682 -15.394 1.00 28.80 N ATOM 1663 NH2 ARG D 57 22.731 13.544 -15.924 1.00 30.24 N ATOM 0 H ARG D 57 25.554 7.907 -13.175 1.00 25.51 H new ATOM 0 HA ARG D 57 24.374 9.317 -11.022 1.00 24.92 H new ATOM 0 HB2 ARG D 57 23.624 8.158 -13.595 1.00 25.23 H new ATOM 0 HB3 ARG D 57 22.380 7.866 -12.396 1.00 25.23 H new ATOM 0 HG2 ARG D 57 21.708 9.916 -13.239 1.00 25.03 H new ATOM 0 HG3 ARG D 57 22.652 10.425 -11.853 1.00 25.03 H new ATOM 0 HD2 ARG D 57 24.399 11.225 -13.144 1.00 27.17 H new ATOM 0 HD3 ARG D 57 24.130 10.066 -14.431 1.00 27.17 H new ATOM 0 HE ARG D 57 21.872 11.757 -14.422 1.00 28.26 H new ATOM 0 HH11 ARG D 57 25.360 12.001 -14.894 1.00 28.80 H new ATOM 0 HH12 ARG D 57 25.233 13.381 -15.990 1.00 28.80 H new ATOM 0 HH21 ARG D 57 21.715 13.527 -15.832 1.00 30.24 H new ATOM 0 HH22 ARG D 57 23.178 14.242 -16.519 1.00 30.24 H new ATOM 1677 N LEU D 58 24.253 6.042 -10.921 1.00 21.79 N ATOM 1678 CA LEU D 58 23.944 4.902 -10.068 1.00 20.13 C ATOM 1679 C LEU D 58 24.745 4.966 -8.775 1.00 18.34 C ATOM 1680 O LEU D 58 24.192 4.860 -7.682 1.00 16.68 O ATOM 1681 CB LEU D 58 24.241 3.593 -10.800 1.00 21.17 C ATOM 1682 CG LEU D 58 23.389 3.338 -12.042 1.00 21.71 C ATOM 1683 CD1 LEU D 58 23.951 2.174 -12.843 1.00 21.25 C ATOM 1684 CD2 LEU D 58 21.943 3.069 -11.648 1.00 21.77 C ATOM 0 H LEU D 58 24.749 5.804 -11.780 1.00 21.79 H new ATOM 0 HA LEU D 58 22.882 4.938 -9.823 1.00 20.13 H new ATOM 0 HB2 LEU D 58 25.291 3.588 -11.091 1.00 21.17 H new ATOM 0 HB3 LEU D 58 24.099 2.766 -10.105 1.00 21.17 H new ATOM 0 HG LEU D 58 23.415 4.229 -12.669 1.00 21.71 H new ATOM 0 HD11 LEU D 58 23.332 2.006 -13.724 1.00 21.25 H new ATOM 0 HD12 LEU D 58 24.970 2.405 -13.154 1.00 21.25 H new ATOM 0 HD13 LEU D 58 23.955 1.276 -12.226 1.00 21.25 H new ATOM 0 HD21 LEU D 58 21.349 2.889 -12.544 1.00 21.77 H new ATOM 0 HD22 LEU D 58 21.899 2.192 -11.002 1.00 21.77 H new ATOM 0 HD23 LEU D 58 21.544 3.933 -11.116 1.00 21.77 H new ATOM 1696 N ALA D 59 26.053 5.142 -8.909 1.00 18.87 N ATOM 1697 CA ALA D 59 26.938 5.223 -7.754 1.00 17.51 C ATOM 1698 C ALA D 59 26.412 6.230 -6.736 1.00 16.55 C ATOM 1699 O ALA D 59 26.513 6.017 -5.528 1.00 17.15 O ATOM 1700 CB ALA D 59 28.345 5.600 -8.191 1.00 18.09 C ATOM 0 H ALA D 59 26.526 5.232 -9.808 1.00 18.87 H new ATOM 0 HA ALA D 59 26.969 4.242 -7.279 1.00 17.51 H new ATOM 0 HB1 ALA D 59 28.994 5.657 -7.317 1.00 18.09 H new ATOM 0 HB2 ALA D 59 28.727 4.845 -8.879 1.00 18.09 H new ATOM 0 HB3 ALA D 59 28.324 6.569 -8.691 1.00 18.09 H new ATOM 1706 N ASP D 60 25.849 7.326 -7.235 1.00 15.32 N ATOM 1707 CA ASP D 60 25.306 8.367 -6.370 1.00 14.65 C ATOM 1708 C ASP D 60 24.032 7.890 -5.679 1.00 12.13 C ATOM 1709 O ASP D 60 23.896 8.005 -4.462 1.00 11.76 O ATOM 1710 CB ASP D 60 25.023 9.633 -7.180 1.00 14.72 C ATOM 1711 CG ASP D 60 24.403 10.731 -6.337 1.00 15.16 C ATOM 1712 OD1 ASP D 60 24.602 10.718 -5.105 1.00 14.54 O ATOM 1713 OD2 ASP D 60 23.719 11.606 -6.910 1.00 16.21 O ATOM 0 H ASP D 60 25.757 7.516 -8.233 1.00 15.32 H new ATOM 0 HA ASP D 60 26.047 8.594 -5.604 1.00 14.65 H new ATOM 0 HB2 ASP D 60 25.953 9.996 -7.618 1.00 14.72 H new ATOM 0 HB3 ASP D 60 24.354 9.391 -8.006 1.00 14.72 H new ATOM 1718 N GLU D 61 23.102 7.351 -6.461 1.00 10.91 N ATOM 1719 CA GLU D 61 21.844 6.852 -5.919 1.00 8.57 C ATOM 1720 C GLU D 61 22.095 5.695 -4.957 1.00 8.70 C ATOM 1721 O GLU D 61 21.431 5.574 -3.927 1.00 8.34 O ATOM 1722 CB GLU D 61 20.918 6.402 -7.050 1.00 6.96 C ATOM 1723 CG GLU D 61 20.507 7.526 -7.985 1.00 8.51 C ATOM 1724 CD GLU D 61 19.007 7.591 -8.195 1.00 7.40 C ATOM 1725 OE1 GLU D 61 18.271 7.686 -7.191 1.00 5.16 O ATOM 1726 OE2 GLU D 61 18.569 7.549 -9.364 1.00 9.31 O ATOM 0 H GLU D 61 23.196 7.249 -7.471 1.00 10.91 H new ATOM 0 HA GLU D 61 21.363 7.662 -5.371 1.00 8.57 H new ATOM 0 HB2 GLU D 61 21.416 5.624 -7.628 1.00 6.96 H new ATOM 0 HB3 GLU D 61 20.023 5.954 -6.619 1.00 6.96 H new ATOM 0 HG2 GLU D 61 20.855 8.476 -7.580 1.00 8.51 H new ATOM 0 HG3 GLU D 61 20.999 7.391 -8.948 1.00 8.51 H new ATOM 1733 N GLN D 62 23.060 4.850 -5.301 1.00 9.69 N ATOM 1734 CA GLN D 62 23.409 3.703 -4.473 1.00 9.87 C ATOM 1735 C GLN D 62 24.218 4.141 -3.257 1.00 10.91 C ATOM 1736 O GLN D 62 23.995 3.664 -2.145 1.00 11.28 O ATOM 1737 CB GLN D 62 24.202 2.683 -5.295 1.00 9.42 C ATOM 1738 CG GLN D 62 23.338 1.797 -6.184 1.00 8.84 C ATOM 1739 CD GLN D 62 22.172 2.539 -6.812 1.00 7.51 C ATOM 1740 OE1 GLN D 62 21.330 3.103 -6.112 1.00 7.81 O ATOM 1741 NE2 GLN D 62 22.116 2.539 -8.139 1.00 6.83 N ATOM 0 H GLN D 62 23.616 4.939 -6.151 1.00 9.69 H new ATOM 0 HA GLN D 62 22.488 3.238 -4.123 1.00 9.87 H new ATOM 0 HB2 GLN D 62 24.921 3.214 -5.918 1.00 9.42 H new ATOM 0 HB3 GLN D 62 24.774 2.051 -4.616 1.00 9.42 H new ATOM 0 HG2 GLN D 62 23.957 1.371 -6.973 1.00 8.84 H new ATOM 0 HG3 GLN D 62 22.955 0.964 -5.594 1.00 8.84 H new ATOM 0 HE21 GLN D 62 22.835 2.059 -8.680 1.00 6.83 H new ATOM 0 HE22 GLN D 62 21.354 3.019 -8.617 1.00 6.83 H new ATOM 1750 N SER D 63 25.158 5.057 -3.475 1.00 11.43 N ATOM 1751 CA SER D 63 25.996 5.562 -2.394 1.00 12.41 C ATOM 1752 C SER D 63 25.161 6.351 -1.392 1.00 11.46 C ATOM 1753 O SER D 63 25.164 6.058 -0.197 1.00 9.94 O ATOM 1754 CB SER D 63 27.116 6.445 -2.950 1.00 15.45 C ATOM 1755 OG SER D 63 26.587 7.556 -3.651 1.00 16.59 O ATOM 0 H SER D 63 25.357 5.463 -4.389 1.00 11.43 H new ATOM 0 HA SER D 63 26.442 4.708 -1.884 1.00 12.41 H new ATOM 0 HB2 SER D 63 27.748 6.793 -2.133 1.00 15.45 H new ATOM 0 HB3 SER D 63 27.749 5.859 -3.616 1.00 15.45 H new ATOM 0 HG SER D 63 26.182 7.251 -4.490 1.00 16.59 H new ATOM 1761 N GLU D 64 24.442 7.353 -1.890 1.00 12.79 N ATOM 1762 CA GLU D 64 23.597 8.182 -1.044 1.00 13.00 C ATOM 1763 C GLU D 64 22.686 7.318 -0.179 1.00 10.64 C ATOM 1764 O GLU D 64 22.440 7.628 0.986 1.00 11.04 O ATOM 1765 CB GLU D 64 22.761 9.129 -1.906 1.00 15.13 C ATOM 1766 CG GLU D 64 21.643 8.434 -2.667 1.00 14.55 C ATOM 1767 CD GLU D 64 20.409 8.209 -1.816 1.00 14.68 C ATOM 1768 OE1 GLU D 64 19.969 9.166 -1.144 1.00 16.44 O ATOM 1769 OE2 GLU D 64 19.883 7.076 -1.821 1.00 13.13 O ATOM 0 H GLU D 64 24.429 7.609 -2.877 1.00 12.79 H new ATOM 0 HA GLU D 64 24.238 8.770 -0.387 1.00 13.00 H new ATOM 0 HB2 GLU D 64 22.330 9.901 -1.269 1.00 15.13 H new ATOM 0 HB3 GLU D 64 23.416 9.632 -2.618 1.00 15.13 H new ATOM 0 HG2 GLU D 64 21.375 9.032 -3.538 1.00 14.55 H new ATOM 0 HG3 GLU D 64 22.003 7.475 -3.038 1.00 14.55 H new ATOM 1776 N LEU D 65 22.191 6.230 -0.759 1.00 8.78 N ATOM 1777 CA LEU D 65 21.311 5.316 -0.043 1.00 6.75 C ATOM 1778 C LEU D 65 22.010 4.744 1.184 1.00 5.79 C ATOM 1779 O LEU D 65 21.421 4.649 2.260 1.00 5.24 O ATOM 1780 CB LEU D 65 20.862 4.179 -0.964 1.00 7.40 C ATOM 1781 CG LEU D 65 19.421 3.711 -0.758 1.00 8.04 C ATOM 1782 CD1 LEU D 65 18.706 3.588 -2.094 1.00 8.91 C ATOM 1783 CD2 LEU D 65 19.395 2.386 -0.013 1.00 6.87 C ATOM 0 H LEU D 65 22.385 5.960 -1.723 1.00 8.78 H new ATOM 0 HA LEU D 65 20.435 5.875 0.285 1.00 6.75 H new ATOM 0 HB2 LEU D 65 20.979 4.502 -1.998 1.00 7.40 H new ATOM 0 HB3 LEU D 65 21.529 3.329 -0.818 1.00 7.40 H new ATOM 0 HG LEU D 65 18.898 4.454 -0.156 1.00 8.04 H new ATOM 0 HD11 LEU D 65 17.682 3.254 -1.929 1.00 8.91 H new ATOM 0 HD12 LEU D 65 18.696 4.558 -2.592 1.00 8.91 H new ATOM 0 HD13 LEU D 65 19.227 2.864 -2.720 1.00 8.91 H new ATOM 0 HD21 LEU D 65 18.362 2.067 0.126 1.00 6.87 H new ATOM 0 HD22 LEU D 65 19.933 1.634 -0.590 1.00 6.87 H new ATOM 0 HD23 LEU D 65 19.871 2.506 0.960 1.00 6.87 H new ATOM 1795 N VAL D 66 23.273 4.368 1.014 1.00 6.52 N ATOM 1796 CA VAL D 66 24.059 3.809 2.106 1.00 6.98 C ATOM 1797 C VAL D 66 24.145 4.785 3.273 1.00 7.63 C ATOM 1798 O VAL D 66 24.144 4.381 4.436 1.00 8.03 O ATOM 1799 CB VAL D 66 25.486 3.451 1.646 1.00 8.25 C ATOM 1800 CG1 VAL D 66 26.286 2.852 2.792 1.00 9.40 C ATOM 1801 CG2 VAL D 66 25.442 2.499 0.461 1.00 8.40 C ATOM 0 H VAL D 66 23.774 4.441 0.129 1.00 6.52 H new ATOM 0 HA VAL D 66 23.551 2.900 2.430 1.00 6.98 H new ATOM 0 HB VAL D 66 25.984 4.367 1.329 1.00 8.25 H new ATOM 0 HG11 VAL D 66 27.290 2.607 2.446 1.00 9.40 H new ATOM 0 HG12 VAL D 66 26.349 3.573 3.607 1.00 9.40 H new ATOM 0 HG13 VAL D 66 25.793 1.947 3.146 1.00 9.40 H new ATOM 0 HG21 VAL D 66 26.459 2.258 0.150 1.00 8.40 H new ATOM 0 HG22 VAL D 66 24.923 1.584 0.748 1.00 8.40 H new ATOM 0 HG23 VAL D 66 24.912 2.972 -0.366 1.00 8.40 H new ATOM 1811 N LYS D 67 24.217 6.071 2.954 1.00 8.41 N ATOM 1812 CA LYS D 67 24.299 7.106 3.976 1.00 9.36 C ATOM 1813 C LYS D 67 22.982 7.219 4.733 1.00 8.62 C ATOM 1814 O LYS D 67 22.962 7.541 5.920 1.00 9.32 O ATOM 1815 CB LYS D 67 24.657 8.453 3.344 1.00 10.67 C ATOM 1816 CG LYS D 67 24.687 9.604 4.337 1.00 13.69 C ATOM 1817 CD LYS D 67 25.689 10.669 3.924 1.00 14.69 C ATOM 1818 CE LYS D 67 25.044 11.733 3.051 1.00 15.60 C ATOM 1819 NZ LYS D 67 25.463 13.105 3.446 1.00 15.99 N ATOM 0 H LYS D 67 24.220 6.422 1.996 1.00 8.41 H new ATOM 0 HA LYS D 67 25.083 6.828 4.681 1.00 9.36 H new ATOM 0 HB2 LYS D 67 25.633 8.372 2.865 1.00 10.67 H new ATOM 0 HB3 LYS D 67 23.935 8.680 2.560 1.00 10.67 H new ATOM 0 HG2 LYS D 67 23.694 10.047 4.412 1.00 13.69 H new ATOM 0 HG3 LYS D 67 24.943 9.226 5.327 1.00 13.69 H new ATOM 0 HD2 LYS D 67 26.113 11.135 4.813 1.00 14.69 H new ATOM 0 HD3 LYS D 67 26.513 10.204 3.383 1.00 14.69 H new ATOM 0 HE2 LYS D 67 25.311 11.558 2.009 1.00 15.60 H new ATOM 0 HE3 LYS D 67 23.959 11.651 3.120 1.00 15.60 H new ATOM 0 HZ1 LYS D 67 25.001 13.801 2.826 1.00 15.99 H new ATOM 0 HZ2 LYS D 67 25.186 13.282 4.433 1.00 15.99 H new ATOM 0 HZ3 LYS D 67 26.495 13.192 3.355 1.00 15.99 H new ATOM 1833 N LYS D 68 21.883 6.948 4.036 1.00 7.84 N ATOM 1834 CA LYS D 68 20.558 7.016 4.642 1.00 7.68 C ATOM 1835 C LYS D 68 20.322 5.824 5.561 1.00 7.63 C ATOM 1836 O LYS D 68 19.722 5.959 6.628 1.00 7.67 O ATOM 1837 CB LYS D 68 19.481 7.062 3.558 1.00 6.56 C ATOM 1838 CG LYS D 68 18.267 7.893 3.939 1.00 6.97 C ATOM 1839 CD LYS D 68 17.268 7.978 2.796 1.00 8.08 C ATOM 1840 CE LYS D 68 15.906 8.448 3.280 1.00 9.44 C ATOM 1841 NZ LYS D 68 15.211 9.283 2.262 1.00 9.81 N ATOM 0 H LYS D 68 21.884 6.679 3.052 1.00 7.84 H new ATOM 0 HA LYS D 68 20.502 7.928 5.237 1.00 7.68 H new ATOM 0 HB2 LYS D 68 19.915 7.467 2.644 1.00 6.56 H new ATOM 0 HB3 LYS D 68 19.159 6.045 3.335 1.00 6.56 H new ATOM 0 HG2 LYS D 68 17.785 7.455 4.813 1.00 6.97 H new ATOM 0 HG3 LYS D 68 18.586 8.897 4.220 1.00 6.97 H new ATOM 0 HD2 LYS D 68 17.641 8.664 2.035 1.00 8.08 H new ATOM 0 HD3 LYS D 68 17.170 7.001 2.324 1.00 8.08 H new ATOM 0 HE2 LYS D 68 15.289 7.583 3.522 1.00 9.44 H new ATOM 0 HE3 LYS D 68 16.026 9.022 4.199 1.00 9.44 H new ATOM 0 HZ1 LYS D 68 14.286 9.583 2.632 1.00 9.81 H new ATOM 0 HZ2 LYS D 68 15.787 10.122 2.049 1.00 9.81 H new ATOM 0 HZ3 LYS D 68 15.073 8.728 1.393 1.00 9.81 H new ATOM 1855 N MET D 69 20.795 4.655 5.143 1.00 7.72 N ATOM 1856 CA MET D 69 20.633 3.441 5.934 1.00 8.03 C ATOM 1857 C MET D 69 21.577 3.446 7.132 1.00 9.06 C ATOM 1858 O MET D 69 21.229 2.969 8.212 1.00 10.89 O ATOM 1859 CB MET D 69 20.876 2.200 5.069 1.00 7.05 C ATOM 1860 CG MET D 69 22.343 1.927 4.779 1.00 6.89 C ATOM 1861 SD MET D 69 22.596 0.375 3.897 1.00 6.31 S ATOM 1862 CE MET D 69 24.359 0.440 3.596 1.00 3.74 C ATOM 0 H MET D 69 21.293 4.523 4.263 1.00 7.72 H new ATOM 0 HA MET D 69 19.608 3.411 6.305 1.00 8.03 H new ATOM 0 HB2 MET D 69 20.447 1.331 5.569 1.00 7.05 H new ATOM 0 HB3 MET D 69 20.345 2.318 4.124 1.00 7.05 H new ATOM 0 HG2 MET D 69 22.752 2.747 4.189 1.00 6.89 H new ATOM 0 HG3 MET D 69 22.897 1.902 5.717 1.00 6.89 H new ATOM 0 HE1 MET D 69 24.790 -0.551 3.742 1.00 3.74 H new ATOM 0 HE2 MET D 69 24.542 0.768 2.573 1.00 3.74 H new ATOM 0 HE3 MET D 69 24.821 1.142 4.290 1.00 3.74 H new ATOM 1872 N VAL D 70 22.773 3.990 6.933 1.00 8.04 N ATOM 1873 CA VAL D 70 23.766 4.058 7.997 1.00 8.82 C ATOM 1874 C VAL D 70 23.480 5.221 8.942 1.00 10.90 C ATOM 1875 O VAL D 70 23.766 5.145 10.137 1.00 11.55 O ATOM 1876 CB VAL D 70 25.191 4.200 7.430 1.00 8.15 C ATOM 1877 CG1 VAL D 70 26.212 4.248 8.557 1.00 7.01 C ATOM 1878 CG2 VAL D 70 25.498 3.059 6.472 1.00 8.16 C ATOM 0 H VAL D 70 23.077 4.390 6.045 1.00 8.04 H new ATOM 0 HA VAL D 70 23.701 3.122 8.552 1.00 8.82 H new ATOM 0 HB VAL D 70 25.251 5.137 6.876 1.00 8.15 H new ATOM 0 HG11 VAL D 70 27.213 4.348 8.137 1.00 7.01 H new ATOM 0 HG12 VAL D 70 26.002 5.101 9.202 1.00 7.01 H new ATOM 0 HG13 VAL D 70 26.154 3.329 9.140 1.00 7.01 H new ATOM 0 HG21 VAL D 70 26.509 3.175 6.080 1.00 8.16 H new ATOM 0 HG22 VAL D 70 25.420 2.109 7.001 1.00 8.16 H new ATOM 0 HG23 VAL D 70 24.785 3.075 5.647 1.00 8.16 H new ATOM 1888 N PHE D 71 22.912 6.295 8.401 1.00 12.44 N ATOM 1889 CA PHE D 71 22.586 7.468 9.206 1.00 14.54 C ATOM 1890 C PHE D 71 21.631 7.096 10.334 1.00 17.10 C ATOM 1891 O PHE D 71 21.897 7.374 11.503 1.00 18.53 O ATOM 1892 CB PHE D 71 21.963 8.560 8.332 1.00 14.95 C ATOM 1893 CG PHE D 71 21.511 9.764 9.109 1.00 14.83 C ATOM 1894 CD1 PHE D 71 22.314 10.300 10.124 1.00 13.59 C ATOM 1895 CD2 PHE D 71 20.279 10.372 8.829 1.00 16.05 C ATOM 1896 CE1 PHE D 71 21.897 11.422 10.847 1.00 13.59 C ATOM 1897 CE2 PHE D 71 19.857 11.494 9.549 1.00 16.02 C ATOM 1898 CZ PHE D 71 20.668 12.019 10.559 1.00 14.80 C ATOM 0 H PHE D 71 22.669 6.377 7.414 1.00 12.44 H new ATOM 0 HA PHE D 71 23.509 7.849 9.642 1.00 14.54 H new ATOM 0 HB2 PHE D 71 22.690 8.873 7.582 1.00 14.95 H new ATOM 0 HB3 PHE D 71 21.111 8.143 7.795 1.00 14.95 H new ATOM 0 HD1 PHE D 71 23.265 9.842 10.351 1.00 13.59 H new ATOM 0 HD2 PHE D 71 19.649 9.970 8.049 1.00 16.05 H new ATOM 0 HE1 PHE D 71 22.525 11.826 11.627 1.00 13.59 H new ATOM 0 HE2 PHE D 71 18.906 11.954 9.325 1.00 16.02 H new ATOM 0 HZ PHE D 71 20.344 12.886 11.116 1.00 14.80 H new ATOM 1908 N ASP D 72 20.519 6.459 9.977 1.00 17.95 N ATOM 1909 CA ASP D 72 19.529 6.042 10.962 1.00 20.37 C ATOM 1910 C ASP D 72 20.139 5.064 11.959 1.00 20.02 C ATOM 1911 O ASP D 72 19.937 5.184 13.167 1.00 19.77 O ATOM 1912 CB ASP D 72 18.324 5.402 10.269 1.00 21.45 C ATOM 1913 CG ASP D 72 17.008 6.004 10.724 1.00 23.15 C ATOM 1914 OD1 ASP D 72 16.736 7.171 10.372 1.00 24.00 O ATOM 1915 OD2 ASP D 72 16.251 5.308 11.433 1.00 23.80 O ATOM 0 H ASP D 72 20.282 6.221 9.014 1.00 17.95 H new ATOM 0 HA ASP D 72 19.195 6.927 11.504 1.00 20.37 H new ATOM 0 HB2 ASP D 72 18.422 5.523 9.190 1.00 21.45 H new ATOM 0 HB3 ASP D 72 18.319 4.331 10.470 1.00 21.45 H new ATOM 1920 N THR D 73 20.892 4.096 11.443 1.00 20.09 N ATOM 1921 CA THR D 73 21.539 3.098 12.288 1.00 19.85 C ATOM 1922 C THR D 73 22.424 3.765 13.337 1.00 21.40 C ATOM 1923 O THR D 73 22.191 3.629 14.538 1.00 22.71 O ATOM 1924 CB THR D 73 22.372 2.144 11.434 1.00 17.65 C ATOM 1925 OG1 THR D 73 21.544 1.409 10.549 1.00 18.13 O ATOM 1926 CG2 THR D 73 23.168 1.149 12.249 1.00 17.51 C ATOM 0 H THR D 73 21.069 3.982 10.445 1.00 20.09 H new ATOM 0 HA THR D 73 20.762 2.532 12.802 1.00 19.85 H new ATOM 0 HB THR D 73 23.068 2.781 10.888 1.00 17.65 H new ATOM 0 HG1 THR D 73 21.411 1.921 9.724 1.00 18.13 H new ATOM 0 HG21 THR D 73 23.736 0.503 11.580 1.00 17.51 H new ATOM 0 HG22 THR D 73 23.854 1.683 12.907 1.00 17.51 H new ATOM 0 HG23 THR D 73 22.488 0.543 12.848 1.00 17.51 H new ATOM 1934 N LEU D 74 23.441 4.485 12.873 1.00 21.35 N ATOM 1935 CA LEU D 74 24.363 5.172 13.769 1.00 22.96 C ATOM 1936 C LEU D 74 23.606 6.009 14.795 1.00 25.19 C ATOM 1937 O LEU D 74 23.987 6.070 15.964 1.00 26.96 O ATOM 1938 CB LEU D 74 25.316 6.064 12.970 1.00 22.68 C ATOM 1939 CG LEU D 74 26.347 5.315 12.124 1.00 21.67 C ATOM 1940 CD1 LEU D 74 26.942 6.235 11.070 1.00 22.57 C ATOM 1941 CD2 LEU D 74 27.441 4.735 13.008 1.00 21.21 C ATOM 0 H LEU D 74 23.647 4.607 11.882 1.00 21.35 H new ATOM 0 HA LEU D 74 24.942 4.416 14.300 1.00 22.96 H new ATOM 0 HB2 LEU D 74 24.726 6.704 12.314 1.00 22.68 H new ATOM 0 HB3 LEU D 74 25.844 6.719 13.663 1.00 22.68 H new ATOM 0 HG LEU D 74 25.844 4.492 11.616 1.00 21.67 H new ATOM 0 HD11 LEU D 74 27.673 5.685 10.478 1.00 22.57 H new ATOM 0 HD12 LEU D 74 26.149 6.602 10.418 1.00 22.57 H new ATOM 0 HD13 LEU D 74 27.431 7.079 11.557 1.00 22.57 H new ATOM 0 HD21 LEU D 74 28.166 4.206 12.390 1.00 21.21 H new ATOM 0 HD22 LEU D 74 27.942 5.541 13.544 1.00 21.21 H new ATOM 0 HD23 LEU D 74 27.000 4.042 13.725 1.00 21.21 H new ATOM 1953 N LYS D 75 22.529 6.652 14.351 1.00 25.20 N ATOM 1954 CA LYS D 75 21.719 7.483 15.234 1.00 27.29 C ATOM 1955 C LYS D 75 21.361 6.728 16.508 1.00 27.94 C ATOM 1956 O LYS D 75 21.527 7.240 17.616 1.00 29.38 O ATOM 1957 CB LYS D 75 20.444 7.934 14.519 1.00 27.49 C ATOM 1958 CG LYS D 75 20.110 9.401 14.739 1.00 26.84 C ATOM 1959 CD LYS D 75 19.260 9.953 13.607 1.00 26.51 C ATOM 1960 CE LYS D 75 17.792 9.608 13.792 1.00 28.69 C ATOM 1961 NZ LYS D 75 17.020 9.764 12.528 1.00 28.53 N ATOM 0 H LYS D 75 22.198 6.613 13.387 1.00 25.20 H new ATOM 0 HA LYS D 75 22.304 8.362 15.504 1.00 27.29 H new ATOM 0 HB2 LYS D 75 20.553 7.751 13.450 1.00 27.49 H new ATOM 0 HB3 LYS D 75 19.609 7.324 14.864 1.00 27.49 H new ATOM 0 HG2 LYS D 75 19.579 9.517 15.684 1.00 26.84 H new ATOM 0 HG3 LYS D 75 21.032 9.977 14.818 1.00 26.84 H new ATOM 0 HD2 LYS D 75 19.377 11.036 13.558 1.00 26.51 H new ATOM 0 HD3 LYS D 75 19.612 9.551 12.657 1.00 26.51 H new ATOM 0 HE2 LYS D 75 17.703 8.581 14.147 1.00 28.69 H new ATOM 0 HE3 LYS D 75 17.363 10.250 14.561 1.00 28.69 H new ATOM 0 HZ1 LYS D 75 16.026 9.974 12.752 1.00 28.53 H new ATOM 0 HZ2 LYS D 75 17.421 10.545 11.970 1.00 28.53 H new ATOM 0 HZ3 LYS D 75 17.073 8.883 11.978 1.00 28.53 H new ATOM 1975 N ASP D 76 20.874 5.505 16.340 1.00 27.03 N ATOM 1976 CA ASP D 76 20.496 4.669 17.470 1.00 27.78 C ATOM 1977 C ASP D 76 21.732 4.199 18.231 1.00 27.87 C ATOM 1978 O ASP D 76 21.722 4.111 19.458 1.00 29.20 O ATOM 1979 CB ASP D 76 19.684 3.464 16.990 1.00 26.59 C ATOM 1980 CG ASP D 76 18.201 3.765 16.901 1.00 27.01 C ATOM 1981 OD1 ASP D 76 17.835 4.958 16.938 1.00 27.26 O ATOM 1982 OD2 ASP D 76 17.406 2.808 16.796 1.00 27.35 O ATOM 0 H ASP D 76 20.732 5.070 15.429 1.00 27.03 H new ATOM 0 HA ASP D 76 19.881 5.264 18.145 1.00 27.78 H new ATOM 0 HB2 ASP D 76 20.048 3.151 16.011 1.00 26.59 H new ATOM 0 HB3 ASP D 76 19.842 2.628 17.671 1.00 26.59 H new ATOM 1987 N LEU D 77 22.796 3.902 17.491 1.00 26.49 N ATOM 1988 CA LEU D 77 24.045 3.446 18.090 1.00 26.40 C ATOM 1989 C LEU D 77 24.557 4.452 19.114 1.00 28.00 C ATOM 1990 O LEU D 77 24.886 4.090 20.244 1.00 28.68 O ATOM 1991 CB LEU D 77 25.101 3.227 17.005 1.00 25.29 C ATOM 1992 CG LEU D 77 25.089 1.842 16.359 1.00 25.64 C ATOM 1993 CD1 LEU D 77 25.772 1.880 15.000 1.00 23.91 C ATOM 1994 CD2 LEU D 77 25.765 0.826 17.267 1.00 27.02 C ATOM 0 H LEU D 77 22.818 3.969 16.473 1.00 26.49 H new ATOM 0 HA LEU D 77 23.852 2.502 18.600 1.00 26.40 H new ATOM 0 HB2 LEU D 77 24.959 3.976 16.226 1.00 25.29 H new ATOM 0 HB3 LEU D 77 26.086 3.400 17.438 1.00 25.29 H new ATOM 0 HG LEU D 77 24.052 1.539 16.214 1.00 25.64 H new ATOM 0 HD11 LEU D 77 25.754 0.885 14.556 1.00 23.91 H new ATOM 0 HD12 LEU D 77 25.247 2.578 14.348 1.00 23.91 H new ATOM 0 HD13 LEU D 77 26.806 2.204 15.121 1.00 23.91 H new ATOM 0 HD21 LEU D 77 25.748 -0.155 16.792 1.00 27.02 H new ATOM 0 HD22 LEU D 77 26.798 1.126 17.443 1.00 27.02 H new ATOM 0 HD23 LEU D 77 25.234 0.778 18.218 1.00 27.02 H new ATOM 2006 N TYR D 78 24.623 5.716 18.710 1.00 28.64 N ATOM 2007 CA TYR D 78 25.096 6.778 19.588 1.00 30.18 C ATOM 2008 C TYR D 78 24.082 7.069 20.689 1.00 32.80 C ATOM 2009 O TYR D 78 24.444 7.229 21.854 1.00 34.37 O ATOM 2010 CB TYR D 78 25.366 8.045 18.778 1.00 29.20 C ATOM 2011 CG TYR D 78 26.654 7.997 17.985 1.00 28.12 C ATOM 2012 CD1 TYR D 78 27.897 7.891 18.632 1.00 28.93 C ATOM 2013 CD2 TYR D 78 26.638 8.055 16.581 1.00 26.43 C ATOM 2014 CE1 TYR D 78 29.088 7.847 17.902 1.00 28.06 C ATOM 2015 CE2 TYR D 78 27.824 8.010 15.843 1.00 25.50 C ATOM 2016 CZ TYR D 78 29.045 7.907 16.509 1.00 26.32 C ATOM 2017 OH TYR D 78 30.216 7.862 15.787 1.00 25.55 O ATOM 0 H TYR D 78 24.354 6.030 17.777 1.00 28.64 H new ATOM 0 HA TYR D 78 26.023 6.446 20.056 1.00 30.18 H new ATOM 0 HB2 TYR D 78 24.534 8.212 18.094 1.00 29.20 H new ATOM 0 HB3 TYR D 78 25.398 8.899 19.455 1.00 29.20 H new ATOM 0 HD1 TYR D 78 27.932 7.843 19.710 1.00 28.93 H new ATOM 0 HD2 TYR D 78 25.693 8.136 16.064 1.00 26.43 H new ATOM 0 HE1 TYR D 78 30.036 7.767 18.413 1.00 28.06 H new ATOM 0 HE2 TYR D 78 27.795 8.055 14.764 1.00 25.50 H new ATOM 0 HH TYR D 78 30.353 6.955 15.442 1.00 25.55 H new ATOM 2027 N LYS D 79 22.809 7.137 20.311 1.00 33.41 N ATOM 2028 CA LYS D 79 21.739 7.411 21.265 1.00 35.94 C ATOM 2029 C LYS D 79 21.852 6.505 22.487 1.00 37.78 C ATOM 2030 O LYS D 79 21.590 6.929 23.612 1.00 39.31 O ATOM 2031 CB LYS D 79 20.374 7.223 20.601 1.00 36.45 C ATOM 2032 CG LYS D 79 19.617 8.524 20.387 1.00 36.72 C ATOM 2033 CD LYS D 79 18.120 8.337 20.582 1.00 39.10 C ATOM 2034 CE LYS D 79 17.321 9.205 19.623 1.00 39.71 C ATOM 2035 NZ LYS D 79 16.401 10.129 20.343 1.00 42.46 N ATOM 0 H LYS D 79 22.493 7.006 19.350 1.00 33.41 H new ATOM 0 HA LYS D 79 21.836 8.446 21.593 1.00 35.94 H new ATOM 0 HB2 LYS D 79 20.512 6.730 19.639 1.00 36.45 H new ATOM 0 HB3 LYS D 79 19.769 6.557 21.216 1.00 36.45 H new ATOM 0 HG2 LYS D 79 19.984 9.278 21.083 1.00 36.72 H new ATOM 0 HG3 LYS D 79 19.810 8.897 19.381 1.00 36.72 H new ATOM 0 HD2 LYS D 79 17.860 7.290 20.429 1.00 39.10 H new ATOM 0 HD3 LYS D 79 17.852 8.585 21.609 1.00 39.10 H new ATOM 0 HE2 LYS D 79 18.005 9.784 19.003 1.00 39.71 H new ATOM 0 HE3 LYS D 79 16.744 8.568 18.952 1.00 39.71 H new ATOM 0 HZ1 LYS D 79 15.875 10.703 19.653 1.00 42.46 H new ATOM 0 HZ2 LYS D 79 15.732 9.576 20.915 1.00 42.46 H new ATOM 0 HZ3 LYS D 79 16.953 10.754 20.964 1.00 42.46 H new