USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 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 80 LYS NZ :NH3+ -144:sc= -0.361 (180deg=-1.48!) USER MOD Set 1.2: C 62 GLN : amide:sc= -0.524 K(o=-0.89,f=-3) USER MOD Set 1.3: D 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 MET CE :methyl 145:sc= -1.26 (180deg=-1.49) USER MOD Set 2.2: C 73 THR OG1 : rot 89:sc= -0.0133 USER MOD Set 3.1: A 73 THR OG1 : rot 90:sc= 0.00395 USER MOD Set 3.2: C 69 MET CE :methyl -106:sc= -1.34 (180deg=-1.44) USER MOD Set 4.1: A 62 GLN : amide:sc= -0.508 K(o=-0.89,f=-3) USER MOD Set 4.2: B 78 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: C 80 LYS NZ :NH3+ -132:sc= -0.384 (180deg=-1.52!) USER MOD Set 5.1: B 73 THR OG1 : rot 80:sc= -1.05! USER MOD Set 5.2: D 62 GLN : amide:sc= -4.03! C(o=-5.1!,f=-6.5!) USER MOD Set 6.1: B 62 GLN : amide:sc= -4.45! C(o=-5.8!,f=-6.1!) USER MOD Set 6.2: D 73 THR OG1 : rot 78:sc= -1.3! USER MOD Single : A 63 SER OG : rot 96:sc= 0.804 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+ 154:sc= -0.0531 (180deg=-0.329) USER MOD Single : A 78 TYR OH : rot -63:sc= -3.51 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 65:sc= 0.631 USER MOD Single : B 63 SER OG : rot -36:sc= -0.216 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 176:sc= -3.69! (180deg=-3.9!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 63 SER OG : rot 97:sc= 0.988 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+ 153:sc= -0.062 (180deg=-0.356) USER MOD Single : C 78 TYR OH : rot -62:sc= -3.24 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot 60:sc= 0.413 USER MOD Single : D 63 SER OG : rot -52:sc= -0.246 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 177:sc= -3.8! (180deg=-3.87!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 25.534 -12.132 -17.340 1.00 31.69 N ATOM 54 CA ALA A 55 25.272 -10.800 -16.813 1.00 29.45 C ATOM 55 C ALA A 55 24.454 -10.877 -15.531 1.00 27.39 C ATOM 56 O ALA A 55 24.649 -10.085 -14.609 1.00 26.03 O ATOM 57 CB ALA A 55 24.555 -9.951 -17.851 1.00 28.44 C ATOM 0 HA ALA A 55 26.228 -10.331 -16.579 1.00 29.45 H new ATOM 0 HB1 ALA A 55 24.366 -8.958 -17.442 1.00 28.44 H new ATOM 0 HB2 ALA A 55 25.177 -9.864 -18.742 1.00 28.44 H new ATOM 0 HB3 ALA A 55 23.607 -10.421 -18.114 1.00 28.44 H new ATOM 63 N GLU A 56 23.539 -11.842 -15.475 1.00 27.35 N ATOM 64 CA GLU A 56 22.696 -12.026 -14.300 1.00 25.70 C ATOM 65 C GLU A 56 23.517 -12.565 -13.135 1.00 26.35 C ATOM 66 O GLU A 56 23.546 -11.975 -12.055 1.00 26.36 O ATOM 67 CB GLU A 56 21.543 -12.981 -14.613 1.00 26.18 C ATOM 68 CG GLU A 56 20.403 -12.908 -13.611 1.00 26.35 C ATOM 69 CD GLU A 56 19.658 -14.221 -13.477 1.00 27.55 C ATOM 70 OE1 GLU A 56 20.311 -15.247 -13.192 1.00 29.15 O ATOM 71 OE2 GLU A 56 18.422 -14.224 -13.658 1.00 27.06 O ATOM 0 H GLU A 56 23.364 -12.507 -16.229 1.00 27.35 H new ATOM 0 HA GLU A 56 22.283 -11.057 -14.020 1.00 25.70 H new ATOM 0 HB2 GLU A 56 21.157 -12.757 -15.607 1.00 26.18 H new ATOM 0 HB3 GLU A 56 21.925 -14.001 -14.642 1.00 26.18 H new ATOM 0 HG2 GLU A 56 20.798 -12.618 -12.637 1.00 26.35 H new ATOM 0 HG3 GLU A 56 19.705 -12.128 -13.917 1.00 26.35 H new ATOM 78 N ARG A 57 24.188 -13.686 -13.368 1.00 26.99 N ATOM 79 CA ARG A 57 25.019 -14.304 -12.345 1.00 27.67 C ATOM 80 C ARG A 57 26.134 -13.356 -11.925 1.00 28.01 C ATOM 81 O ARG A 57 26.432 -13.211 -10.740 1.00 28.55 O ATOM 82 CB ARG A 57 25.615 -15.616 -12.862 1.00 27.94 C ATOM 83 CG ARG A 57 25.123 -16.845 -12.114 1.00 26.50 C ATOM 84 CD ARG A 57 26.141 -17.319 -11.089 1.00 25.84 C ATOM 85 NE ARG A 57 27.271 -18.001 -11.715 1.00 26.70 N ATOM 86 CZ ARG A 57 28.157 -18.727 -11.043 1.00 26.16 C ATOM 87 NH1 ARG A 57 28.046 -18.865 -9.728 1.00 24.77 N ATOM 88 NH2 ARG A 57 29.156 -19.318 -11.684 1.00 27.14 N ATOM 0 H ARG A 57 24.172 -14.185 -14.257 1.00 26.99 H new ATOM 0 HA ARG A 57 24.395 -14.520 -11.478 1.00 27.67 H new ATOM 0 HB2 ARG A 57 25.373 -15.723 -13.919 1.00 27.94 H new ATOM 0 HB3 ARG A 57 26.701 -15.566 -12.787 1.00 27.94 H new ATOM 0 HG2 ARG A 57 24.182 -16.615 -11.614 1.00 26.50 H new ATOM 0 HG3 ARG A 57 24.920 -17.647 -12.824 1.00 26.50 H new ATOM 0 HD2 ARG A 57 26.504 -16.465 -10.517 1.00 25.84 H new ATOM 0 HD3 ARG A 57 25.657 -17.993 -10.382 1.00 25.84 H new ATOM 0 HE ARG A 57 27.386 -17.915 -12.725 1.00 26.70 H new ATOM 0 HH11 ARG A 57 27.279 -18.413 -9.231 1.00 24.77 H new ATOM 0 HH12 ARG A 57 28.728 -19.423 -9.214 1.00 24.77 H new ATOM 0 HH21 ARG A 57 29.245 -19.215 -12.695 1.00 27.14 H new ATOM 0 HH22 ARG A 57 29.836 -19.875 -11.166 1.00 27.14 H new ATOM 102 N LEU A 58 26.741 -12.706 -12.911 1.00 27.69 N ATOM 103 CA LEU A 58 27.821 -11.761 -12.654 1.00 27.98 C ATOM 104 C LEU A 58 27.356 -10.650 -11.719 1.00 25.54 C ATOM 105 O LEU A 58 28.012 -10.350 -10.722 1.00 24.19 O ATOM 106 CB LEU A 58 28.326 -11.164 -13.969 1.00 28.90 C ATOM 107 CG LEU A 58 29.298 -12.051 -14.749 1.00 29.51 C ATOM 108 CD1 LEU A 58 29.846 -11.310 -15.959 1.00 28.99 C ATOM 109 CD2 LEU A 58 30.431 -12.515 -13.848 1.00 30.42 C ATOM 0 H LEU A 58 26.503 -12.816 -13.897 1.00 27.69 H new ATOM 0 HA LEU A 58 28.638 -12.298 -12.172 1.00 27.98 H new ATOM 0 HB2 LEU A 58 27.468 -10.944 -14.604 1.00 28.90 H new ATOM 0 HB3 LEU A 58 28.816 -10.214 -13.755 1.00 28.90 H new ATOM 0 HG LEU A 58 28.756 -12.928 -15.103 1.00 29.51 H new ATOM 0 HD11 LEU A 58 30.535 -11.958 -16.501 1.00 28.99 H new ATOM 0 HD12 LEU A 58 29.023 -11.026 -16.615 1.00 28.99 H new ATOM 0 HD13 LEU A 58 30.373 -10.414 -15.629 1.00 28.99 H new ATOM 0 HD21 LEU A 58 31.114 -13.145 -14.418 1.00 30.42 H new ATOM 0 HD22 LEU A 58 30.970 -11.648 -13.466 1.00 30.42 H new ATOM 0 HD23 LEU A 58 30.022 -13.085 -13.014 1.00 30.42 H new ATOM 121 N ALA A 59 26.219 -10.043 -12.047 1.00 25.12 N ATOM 122 CA ALA A 59 25.664 -8.966 -11.235 1.00 22.89 C ATOM 123 C ALA A 59 25.603 -9.369 -9.767 1.00 22.13 C ATOM 124 O ALA A 59 25.819 -8.546 -8.877 1.00 21.69 O ATOM 125 CB ALA A 59 24.280 -8.583 -11.738 1.00 20.94 C ATOM 0 H ALA A 59 25.664 -10.279 -12.870 1.00 25.12 H new ATOM 0 HA ALA A 59 26.320 -8.100 -11.323 1.00 22.89 H new ATOM 0 HB1 ALA A 59 23.879 -7.778 -11.122 1.00 20.94 H new ATOM 0 HB2 ALA A 59 24.349 -8.248 -12.773 1.00 20.94 H new ATOM 0 HB3 ALA A 59 23.619 -9.448 -11.680 1.00 20.94 H new ATOM 131 N ASP A 60 25.311 -10.643 -9.521 1.00 22.41 N ATOM 132 CA ASP A 60 25.227 -11.159 -8.160 1.00 22.27 C ATOM 133 C ASP A 60 26.614 -11.243 -7.534 1.00 21.79 C ATOM 134 O ASP A 60 26.774 -11.070 -6.326 1.00 21.69 O ATOM 135 CB ASP A 60 24.564 -12.537 -8.151 1.00 24.23 C ATOM 136 CG ASP A 60 23.692 -12.752 -6.929 1.00 24.79 C ATOM 137 OD1 ASP A 60 24.246 -12.825 -5.811 1.00 25.55 O ATOM 138 OD2 ASP A 60 22.457 -12.847 -7.089 1.00 24.47 O ATOM 0 H ASP A 60 25.129 -11.336 -10.247 1.00 22.41 H new ATOM 0 HA ASP A 60 24.618 -10.473 -7.571 1.00 22.27 H new ATOM 0 HB2 ASP A 60 23.959 -12.652 -9.050 1.00 24.23 H new ATOM 0 HB3 ASP A 60 25.334 -13.308 -8.184 1.00 24.23 H new ATOM 143 N GLU A 61 27.616 -11.504 -8.367 1.00 21.74 N ATOM 144 CA GLU A 61 28.993 -11.607 -7.899 1.00 21.32 C ATOM 145 C GLU A 61 29.539 -10.230 -7.539 1.00 19.63 C ATOM 146 O GLU A 61 30.206 -10.061 -6.519 1.00 19.29 O ATOM 147 CB GLU A 61 29.873 -12.257 -8.968 1.00 22.29 C ATOM 148 CG GLU A 61 30.581 -13.514 -8.490 1.00 24.06 C ATOM 149 CD GLU A 61 31.251 -14.270 -9.620 1.00 25.88 C ATOM 150 OE1 GLU A 61 32.426 -13.975 -9.917 1.00 26.34 O ATOM 151 OE2 GLU A 61 30.598 -15.158 -10.208 1.00 26.97 O ATOM 0 H GLU A 61 27.500 -11.648 -9.370 1.00 21.74 H new ATOM 0 HA GLU A 61 29.005 -12.232 -7.006 1.00 21.32 H new ATOM 0 HB2 GLU A 61 29.257 -12.503 -9.833 1.00 22.29 H new ATOM 0 HB3 GLU A 61 30.618 -11.535 -9.302 1.00 22.29 H new ATOM 0 HG2 GLU A 61 31.329 -13.244 -7.744 1.00 24.06 H new ATOM 0 HG3 GLU A 61 29.861 -14.167 -7.997 1.00 24.06 H new ATOM 158 N GLN A 62 29.244 -9.249 -8.385 1.00 19.00 N ATOM 159 CA GLN A 62 29.698 -7.882 -8.158 1.00 17.85 C ATOM 160 C GLN A 62 29.101 -7.328 -6.869 1.00 17.03 C ATOM 161 O GLN A 62 29.814 -6.783 -6.027 1.00 17.46 O ATOM 162 CB GLN A 62 29.314 -6.991 -9.340 1.00 16.13 C ATOM 163 CG GLN A 62 29.700 -7.571 -10.690 1.00 16.64 C ATOM 164 CD GLN A 62 31.194 -7.800 -10.820 1.00 16.61 C ATOM 165 OE1 GLN A 62 31.977 -7.352 -9.982 1.00 15.97 O ATOM 166 NE2 GLN A 62 31.596 -8.500 -11.874 1.00 17.53 N ATOM 0 H GLN A 62 28.693 -9.375 -9.234 1.00 19.00 H new ATOM 0 HA GLN A 62 30.784 -7.892 -8.063 1.00 17.85 H new ATOM 0 HB2 GLN A 62 28.237 -6.821 -9.321 1.00 16.13 H new ATOM 0 HB3 GLN A 62 29.792 -6.019 -9.222 1.00 16.13 H new ATOM 0 HG2 GLN A 62 29.177 -8.516 -10.839 1.00 16.64 H new ATOM 0 HG3 GLN A 62 29.369 -6.896 -11.479 1.00 16.64 H new ATOM 0 HE21 GLN A 62 30.912 -8.852 -12.543 1.00 17.53 H new ATOM 0 HE22 GLN A 62 32.589 -8.686 -12.014 1.00 17.53 H new ATOM 175 N SER A 63 27.788 -7.477 -6.721 1.00 16.14 N ATOM 176 CA SER A 63 27.098 -6.997 -5.531 1.00 15.35 C ATOM 177 C SER A 63 27.668 -7.656 -4.281 1.00 14.34 C ATOM 178 O SER A 63 27.757 -7.034 -3.222 1.00 13.36 O ATOM 179 CB SER A 63 25.600 -7.281 -5.635 1.00 15.33 C ATOM 180 OG SER A 63 25.107 -6.964 -6.925 1.00 14.92 O ATOM 0 H SER A 63 27.183 -7.925 -7.409 1.00 16.14 H new ATOM 0 HA SER A 63 27.249 -5.920 -5.458 1.00 15.35 H new ATOM 0 HB2 SER A 63 25.411 -8.332 -5.419 1.00 15.33 H new ATOM 0 HB3 SER A 63 25.064 -6.700 -4.885 1.00 15.33 H new ATOM 0 HG SER A 63 25.083 -7.775 -7.474 1.00 14.92 H new ATOM 186 N GLU A 64 28.059 -8.919 -4.414 1.00 14.62 N ATOM 187 CA GLU A 64 28.628 -9.664 -3.299 1.00 13.79 C ATOM 188 C GLU A 64 29.887 -8.976 -2.784 1.00 13.18 C ATOM 189 O GLU A 64 30.048 -8.775 -1.580 1.00 11.96 O ATOM 190 CB GLU A 64 28.951 -11.096 -3.723 1.00 14.29 C ATOM 191 CG GLU A 64 28.281 -12.151 -2.859 1.00 14.25 C ATOM 192 CD GLU A 64 29.215 -12.728 -1.814 1.00 16.04 C ATOM 193 OE1 GLU A 64 29.359 -12.109 -0.738 1.00 15.37 O ATOM 194 OE2 GLU A 64 29.803 -13.800 -2.070 1.00 18.31 O ATOM 0 H GLU A 64 27.992 -9.448 -5.284 1.00 14.62 H new ATOM 0 HA GLU A 64 27.891 -9.693 -2.496 1.00 13.79 H new ATOM 0 HB2 GLU A 64 28.643 -11.238 -4.759 1.00 14.29 H new ATOM 0 HB3 GLU A 64 30.031 -11.242 -3.688 1.00 14.29 H new ATOM 0 HG2 GLU A 64 27.414 -11.713 -2.364 1.00 14.25 H new ATOM 0 HG3 GLU A 64 27.912 -12.956 -3.495 1.00 14.25 H new ATOM 201 N LEU A 65 30.774 -8.611 -3.704 1.00 14.30 N ATOM 202 CA LEU A 65 32.015 -7.940 -3.342 1.00 13.86 C ATOM 203 C LEU A 65 31.720 -6.653 -2.580 1.00 12.27 C ATOM 204 O LEU A 65 32.406 -6.320 -1.612 1.00 13.33 O ATOM 205 CB LEU A 65 32.840 -7.630 -4.593 1.00 13.89 C ATOM 206 CG LEU A 65 33.188 -8.844 -5.457 1.00 15.72 C ATOM 207 CD1 LEU A 65 33.082 -8.496 -6.933 1.00 16.54 C ATOM 208 CD2 LEU A 65 34.585 -9.349 -5.124 1.00 18.11 C ATOM 0 H LEU A 65 30.656 -8.769 -4.705 1.00 14.30 H new ATOM 0 HA LEU A 65 32.590 -8.606 -2.699 1.00 13.86 H new ATOM 0 HB2 LEU A 65 32.290 -6.914 -5.204 1.00 13.89 H new ATOM 0 HB3 LEU A 65 33.766 -7.143 -4.287 1.00 13.89 H new ATOM 0 HG LEU A 65 32.474 -9.639 -5.241 1.00 15.72 H new ATOM 0 HD11 LEU A 65 33.333 -9.371 -7.532 1.00 16.54 H new ATOM 0 HD12 LEU A 65 32.064 -8.181 -7.160 1.00 16.54 H new ATOM 0 HD13 LEU A 65 33.773 -7.686 -7.166 1.00 16.54 H new ATOM 0 HD21 LEU A 65 34.818 -10.213 -5.747 1.00 18.11 H new ATOM 0 HD22 LEU A 65 35.312 -8.559 -5.313 1.00 18.11 H new ATOM 0 HD23 LEU A 65 34.627 -9.637 -4.074 1.00 18.11 H new ATOM 220 N VAL A 66 30.689 -5.938 -3.019 1.00 10.02 N ATOM 221 CA VAL A 66 30.295 -4.694 -2.378 1.00 8.66 C ATOM 222 C VAL A 66 29.659 -4.962 -1.019 1.00 8.25 C ATOM 223 O VAL A 66 30.060 -4.384 -0.009 1.00 9.59 O ATOM 224 CB VAL A 66 29.303 -3.899 -3.249 1.00 8.77 C ATOM 225 CG1 VAL A 66 28.944 -2.581 -2.581 1.00 8.32 C ATOM 226 CG2 VAL A 66 29.880 -3.663 -4.636 1.00 9.63 C ATOM 0 H VAL A 66 30.112 -6.202 -3.818 1.00 10.02 H new ATOM 0 HA VAL A 66 31.201 -4.103 -2.247 1.00 8.66 H new ATOM 0 HB VAL A 66 28.391 -4.486 -3.356 1.00 8.77 H new ATOM 0 HG11 VAL A 66 28.243 -2.033 -3.210 1.00 8.32 H new ATOM 0 HG12 VAL A 66 28.485 -2.777 -1.612 1.00 8.32 H new ATOM 0 HG13 VAL A 66 29.847 -1.986 -2.441 1.00 8.32 H new ATOM 0 HG21 VAL A 66 29.165 -3.100 -5.236 1.00 9.63 H new ATOM 0 HG22 VAL A 66 30.808 -3.098 -4.553 1.00 9.63 H new ATOM 0 HG23 VAL A 66 30.081 -4.622 -5.115 1.00 9.63 H new ATOM 236 N LYS A 67 28.670 -5.852 -0.999 1.00 7.15 N ATOM 237 CA LYS A 67 27.986 -6.203 0.239 1.00 8.09 C ATOM 238 C LYS A 67 28.983 -6.718 1.269 1.00 9.92 C ATOM 239 O LYS A 67 28.958 -6.312 2.431 1.00 11.09 O ATOM 240 CB LYS A 67 26.913 -7.259 -0.023 1.00 9.68 C ATOM 241 CG LYS A 67 26.184 -7.710 1.232 1.00 10.22 C ATOM 242 CD LYS A 67 25.779 -9.173 1.147 1.00 12.37 C ATOM 243 CE LYS A 67 25.332 -9.706 2.498 1.00 14.71 C ATOM 244 NZ LYS A 67 25.969 -11.013 2.819 1.00 16.92 N ATOM 0 H LYS A 67 28.326 -6.342 -1.825 1.00 7.15 H new ATOM 0 HA LYS A 67 27.506 -5.306 0.631 1.00 8.09 H new ATOM 0 HB2 LYS A 67 26.187 -6.859 -0.731 1.00 9.68 H new ATOM 0 HB3 LYS A 67 27.376 -8.125 -0.496 1.00 9.68 H new ATOM 0 HG2 LYS A 67 26.825 -7.559 2.100 1.00 10.22 H new ATOM 0 HG3 LYS A 67 25.297 -7.094 1.380 1.00 10.22 H new ATOM 0 HD2 LYS A 67 24.971 -9.287 0.424 1.00 12.37 H new ATOM 0 HD3 LYS A 67 26.619 -9.764 0.781 1.00 12.37 H new ATOM 0 HE2 LYS A 67 25.580 -8.981 3.274 1.00 14.71 H new ATOM 0 HE3 LYS A 67 24.248 -9.820 2.502 1.00 14.71 H new ATOM 0 HZ1 LYS A 67 25.638 -11.342 3.748 1.00 16.92 H new ATOM 0 HZ2 LYS A 67 25.712 -11.712 2.093 1.00 16.92 H new ATOM 0 HZ3 LYS A 67 27.003 -10.900 2.840 1.00 16.92 H new ATOM 258 N LYS A 68 29.868 -7.608 0.832 1.00 10.35 N ATOM 259 CA LYS A 68 30.883 -8.170 1.714 1.00 12.13 C ATOM 260 C LYS A 68 31.849 -7.082 2.165 1.00 10.79 C ATOM 261 O LYS A 68 32.268 -7.045 3.322 1.00 11.22 O ATOM 262 CB LYS A 68 31.648 -9.289 1.004 1.00 14.57 C ATOM 263 CG LYS A 68 32.210 -10.336 1.951 1.00 16.61 C ATOM 264 CD LYS A 68 33.509 -10.925 1.426 1.00 18.27 C ATOM 265 CE LYS A 68 33.306 -11.619 0.091 1.00 19.78 C ATOM 266 NZ LYS A 68 34.551 -12.284 -0.386 1.00 22.19 N ATOM 0 H LYS A 68 29.902 -7.955 -0.127 1.00 10.35 H new ATOM 0 HA LYS A 68 30.387 -8.588 2.590 1.00 12.13 H new ATOM 0 HB2 LYS A 68 30.984 -9.776 0.290 1.00 14.57 H new ATOM 0 HB3 LYS A 68 32.466 -8.852 0.431 1.00 14.57 H new ATOM 0 HG2 LYS A 68 32.382 -9.888 2.929 1.00 16.61 H new ATOM 0 HG3 LYS A 68 31.479 -11.132 2.090 1.00 16.61 H new ATOM 0 HD2 LYS A 68 34.251 -10.134 1.317 1.00 18.27 H new ATOM 0 HD3 LYS A 68 33.906 -11.636 2.150 1.00 18.27 H new ATOM 0 HE2 LYS A 68 32.512 -12.360 0.184 1.00 19.78 H new ATOM 0 HE3 LYS A 68 32.977 -10.891 -0.650 1.00 19.78 H new ATOM 0 HZ1 LYS A 68 34.370 -12.746 -1.300 1.00 22.19 H new ATOM 0 HZ2 LYS A 68 35.302 -11.574 -0.500 1.00 22.19 H new ATOM 0 HZ3 LYS A 68 34.852 -12.997 0.309 1.00 22.19 H new ATOM 280 N MET A 69 32.190 -6.190 1.240 1.00 9.34 N ATOM 281 CA MET A 69 33.096 -5.089 1.532 1.00 8.24 C ATOM 282 C MET A 69 32.477 -4.156 2.567 1.00 6.12 C ATOM 283 O MET A 69 33.169 -3.628 3.438 1.00 5.56 O ATOM 284 CB MET A 69 33.422 -4.324 0.242 1.00 7.86 C ATOM 285 CG MET A 69 34.072 -2.967 0.469 1.00 6.38 C ATOM 286 SD MET A 69 32.878 -1.617 0.446 1.00 5.83 S ATOM 287 CE MET A 69 32.948 -1.123 -1.275 1.00 8.73 C ATOM 0 H MET A 69 31.850 -6.210 0.279 1.00 9.34 H new ATOM 0 HA MET A 69 34.022 -5.491 1.943 1.00 8.24 H new ATOM 0 HB2 MET A 69 34.085 -4.934 -0.371 1.00 7.86 H new ATOM 0 HB3 MET A 69 32.502 -4.183 -0.326 1.00 7.86 H new ATOM 0 HG2 MET A 69 34.591 -2.972 1.427 1.00 6.38 H new ATOM 0 HG3 MET A 69 34.825 -2.795 -0.300 1.00 6.38 H new ATOM 0 HE1 MET A 69 31.958 -0.808 -1.604 1.00 8.73 H new ATOM 0 HE2 MET A 69 33.648 -0.295 -1.388 1.00 8.73 H new ATOM 0 HE3 MET A 69 33.281 -1.965 -1.882 1.00 8.73 H new ATOM 297 N VAL A 70 31.167 -3.960 2.465 1.00 5.88 N ATOM 298 CA VAL A 70 30.447 -3.097 3.391 1.00 4.92 C ATOM 299 C VAL A 70 30.317 -3.760 4.758 1.00 6.45 C ATOM 300 O VAL A 70 30.415 -3.096 5.790 1.00 6.81 O ATOM 301 CB VAL A 70 29.046 -2.740 2.846 1.00 4.65 C ATOM 302 CG1 VAL A 70 28.215 -1.999 3.887 1.00 3.66 C ATOM 303 CG2 VAL A 70 29.174 -1.909 1.581 1.00 4.02 C ATOM 0 H VAL A 70 30.582 -4.389 1.748 1.00 5.88 H new ATOM 0 HA VAL A 70 31.022 -2.177 3.497 1.00 4.92 H new ATOM 0 HB VAL A 70 28.529 -3.670 2.611 1.00 4.65 H new ATOM 0 HG11 VAL A 70 27.236 -1.763 3.470 1.00 3.66 H new ATOM 0 HG12 VAL A 70 28.092 -2.627 4.769 1.00 3.66 H new ATOM 0 HG13 VAL A 70 28.722 -1.076 4.167 1.00 3.66 H new ATOM 0 HG21 VAL A 70 28.181 -1.663 1.205 1.00 4.02 H new ATOM 0 HG22 VAL A 70 29.716 -0.990 1.803 1.00 4.02 H new ATOM 0 HG23 VAL A 70 29.717 -2.477 0.826 1.00 4.02 H new ATOM 313 N PHE A 71 30.099 -5.071 4.762 1.00 8.24 N ATOM 314 CA PHE A 71 29.962 -5.807 6.010 1.00 10.41 C ATOM 315 C PHE A 71 31.173 -5.570 6.906 1.00 9.99 C ATOM 316 O PHE A 71 31.036 -5.120 8.043 1.00 10.90 O ATOM 317 CB PHE A 71 29.795 -7.306 5.745 1.00 12.96 C ATOM 318 CG PHE A 71 29.801 -8.130 7.000 1.00 14.59 C ATOM 319 CD1 PHE A 71 29.137 -7.679 8.148 1.00 15.90 C ATOM 320 CD2 PHE A 71 30.477 -9.357 7.048 1.00 15.18 C ATOM 321 CE1 PHE A 71 29.147 -8.434 9.323 1.00 17.60 C ATOM 322 CE2 PHE A 71 30.490 -10.118 8.220 1.00 16.95 C ATOM 323 CZ PHE A 71 29.824 -9.655 9.359 1.00 18.08 C ATOM 0 H PHE A 71 30.014 -5.641 3.920 1.00 8.24 H new ATOM 0 HA PHE A 71 29.069 -5.443 6.518 1.00 10.41 H new ATOM 0 HB2 PHE A 71 28.859 -7.473 5.212 1.00 12.96 H new ATOM 0 HB3 PHE A 71 30.598 -7.645 5.091 1.00 12.96 H new ATOM 0 HD1 PHE A 71 28.611 -6.736 8.124 1.00 15.90 H new ATOM 0 HD2 PHE A 71 30.993 -9.718 6.170 1.00 15.18 H new ATOM 0 HE1 PHE A 71 28.632 -8.074 10.202 1.00 17.60 H new ATOM 0 HE2 PHE A 71 31.014 -11.062 8.246 1.00 16.95 H new ATOM 0 HZ PHE A 71 29.833 -10.241 10.266 1.00 18.08 H new ATOM 333 N ASP A 72 32.357 -5.873 6.386 1.00 9.13 N ATOM 334 CA ASP A 72 33.590 -5.688 7.141 1.00 8.68 C ATOM 335 C ASP A 72 33.691 -4.258 7.659 1.00 7.04 C ATOM 336 O ASP A 72 34.024 -4.032 8.822 1.00 6.76 O ATOM 337 CB ASP A 72 34.804 -6.019 6.270 1.00 8.10 C ATOM 338 CG ASP A 72 35.041 -7.513 6.156 1.00 10.71 C ATOM 339 OD1 ASP A 72 34.444 -8.141 5.257 1.00 12.14 O ATOM 340 OD2 ASP A 72 35.823 -8.053 6.965 1.00 11.41 O ATOM 0 H ASP A 72 32.489 -6.247 5.446 1.00 9.13 H new ATOM 0 HA ASP A 72 33.574 -6.367 7.994 1.00 8.68 H new ATOM 0 HB2 ASP A 72 34.659 -5.599 5.274 1.00 8.10 H new ATOM 0 HB3 ASP A 72 35.690 -5.544 6.690 1.00 8.10 H new ATOM 345 N THR A 73 33.394 -3.296 6.791 1.00 6.90 N ATOM 346 CA THR A 73 33.445 -1.889 7.167 1.00 6.98 C ATOM 347 C THR A 73 32.383 -1.584 8.220 1.00 9.97 C ATOM 348 O THR A 73 32.706 -1.285 9.370 1.00 11.11 O ATOM 349 CB THR A 73 33.245 -0.999 5.934 1.00 6.00 C ATOM 350 OG1 THR A 73 34.380 -1.057 5.088 1.00 5.87 O ATOM 351 CG2 THR A 73 32.999 0.460 6.267 1.00 7.14 C ATOM 0 H THR A 73 33.116 -3.465 5.824 1.00 6.90 H new ATOM 0 HA THR A 73 34.427 -1.678 7.591 1.00 6.98 H new ATOM 0 HB THR A 73 32.356 -1.393 5.441 1.00 6.00 H new ATOM 0 HG1 THR A 73 34.268 -1.783 4.440 1.00 5.87 H new ATOM 0 HG21 THR A 73 32.867 1.026 5.345 1.00 7.14 H new ATOM 0 HG22 THR A 73 32.101 0.547 6.878 1.00 7.14 H new ATOM 0 HG23 THR A 73 33.852 0.856 6.817 1.00 7.14 H new ATOM 359 N LEU A 74 31.117 -1.665 7.821 1.00 11.38 N ATOM 360 CA LEU A 74 30.014 -1.399 8.739 1.00 14.24 C ATOM 361 C LEU A 74 30.174 -2.200 10.024 1.00 16.02 C ATOM 362 O LEU A 74 29.865 -1.716 11.112 1.00 18.26 O ATOM 363 CB LEU A 74 28.674 -1.726 8.075 1.00 14.92 C ATOM 364 CG LEU A 74 28.252 -0.776 6.951 1.00 15.07 C ATOM 365 CD1 LEU A 74 26.764 -0.908 6.674 1.00 17.42 C ATOM 366 CD2 LEU A 74 28.605 0.665 7.300 1.00 15.05 C ATOM 0 H LEU A 74 30.830 -1.911 6.874 1.00 11.38 H new ATOM 0 HA LEU A 74 30.031 -0.339 8.991 1.00 14.24 H new ATOM 0 HB2 LEU A 74 28.724 -2.738 7.674 1.00 14.92 H new ATOM 0 HB3 LEU A 74 27.898 -1.724 8.840 1.00 14.92 H new ATOM 0 HG LEU A 74 28.798 -1.051 6.048 1.00 15.07 H new ATOM 0 HD11 LEU A 74 26.481 -0.226 5.872 1.00 17.42 H new ATOM 0 HD12 LEU A 74 26.539 -1.932 6.375 1.00 17.42 H new ATOM 0 HD13 LEU A 74 26.203 -0.661 7.575 1.00 17.42 H new ATOM 0 HD21 LEU A 74 28.296 1.322 6.487 1.00 15.05 H new ATOM 0 HD22 LEU A 74 28.090 0.954 8.216 1.00 15.05 H new ATOM 0 HD23 LEU A 74 29.682 0.751 7.447 1.00 15.05 H new ATOM 378 N LYS A 75 30.672 -3.424 9.892 1.00 15.39 N ATOM 379 CA LYS A 75 30.886 -4.287 11.047 1.00 17.49 C ATOM 380 C LYS A 75 31.745 -3.574 12.081 1.00 17.63 C ATOM 381 O LYS A 75 31.271 -3.204 13.154 1.00 19.63 O ATOM 382 CB LYS A 75 31.563 -5.592 10.620 1.00 17.46 C ATOM 383 CG LYS A 75 31.992 -6.469 11.785 1.00 17.63 C ATOM 384 CD LYS A 75 31.664 -7.931 11.533 1.00 18.59 C ATOM 385 CE LYS A 75 32.914 -8.795 11.543 1.00 20.15 C ATOM 386 NZ LYS A 75 33.627 -8.727 12.849 1.00 21.35 N ATOM 0 H LYS A 75 30.935 -3.840 8.999 1.00 15.39 H new ATOM 0 HA LYS A 75 29.917 -4.522 11.488 1.00 17.49 H new ATOM 0 HB2 LYS A 75 30.878 -6.155 9.986 1.00 17.46 H new ATOM 0 HB3 LYS A 75 32.437 -5.356 10.014 1.00 17.46 H new ATOM 0 HG2 LYS A 75 33.064 -6.359 11.949 1.00 17.63 H new ATOM 0 HG3 LYS A 75 31.494 -6.135 12.695 1.00 17.63 H new ATOM 0 HD2 LYS A 75 30.970 -8.285 12.295 1.00 18.59 H new ATOM 0 HD3 LYS A 75 31.160 -8.031 10.572 1.00 18.59 H new ATOM 0 HE2 LYS A 75 32.642 -9.829 11.332 1.00 20.15 H new ATOM 0 HE3 LYS A 75 33.584 -8.472 10.746 1.00 20.15 H new ATOM 0 HZ1 LYS A 75 34.174 -9.600 12.992 1.00 21.35 H new ATOM 0 HZ2 LYS A 75 34.272 -7.911 12.851 1.00 21.35 H new ATOM 0 HZ3 LYS A 75 32.934 -8.622 13.618 1.00 21.35 H new ATOM 400 N ASP A 76 33.012 -3.380 11.739 1.00 15.50 N ATOM 401 CA ASP A 76 33.951 -2.705 12.627 1.00 15.39 C ATOM 402 C ASP A 76 33.510 -1.269 12.898 1.00 15.63 C ATOM 403 O ASP A 76 33.742 -0.734 13.981 1.00 16.69 O ATOM 404 CB ASP A 76 35.357 -2.715 12.024 1.00 13.00 C ATOM 405 CG ASP A 76 36.125 -3.976 12.368 1.00 12.15 C ATOM 406 OD1 ASP A 76 35.478 -5.011 12.635 1.00 12.72 O ATOM 407 OD2 ASP A 76 37.373 -3.928 12.372 1.00 10.98 O ATOM 0 H ASP A 76 33.414 -3.681 10.851 1.00 15.50 H new ATOM 0 HA ASP A 76 33.967 -3.245 13.574 1.00 15.39 H new ATOM 0 HB2 ASP A 76 35.285 -2.621 10.940 1.00 13.00 H new ATOM 0 HB3 ASP A 76 35.910 -1.847 12.383 1.00 13.00 H new ATOM 412 N LEU A 77 32.870 -0.649 11.909 1.00 15.00 N ATOM 413 CA LEU A 77 32.397 0.723 12.049 1.00 15.91 C ATOM 414 C LEU A 77 31.371 0.821 13.174 1.00 18.60 C ATOM 415 O LEU A 77 31.505 1.643 14.080 1.00 19.39 O ATOM 416 CB LEU A 77 31.801 1.212 10.721 1.00 16.14 C ATOM 417 CG LEU A 77 30.837 2.402 10.811 1.00 18.18 C ATOM 418 CD1 LEU A 77 31.322 3.419 11.835 1.00 18.30 C ATOM 419 CD2 LEU A 77 30.676 3.054 9.447 1.00 19.02 C ATOM 0 H LEU A 77 32.668 -1.075 11.005 1.00 15.00 H new ATOM 0 HA LEU A 77 33.241 1.363 12.305 1.00 15.91 H new ATOM 0 HB2 LEU A 77 32.621 1.484 10.057 1.00 16.14 H new ATOM 0 HB3 LEU A 77 31.275 0.379 10.254 1.00 16.14 H new ATOM 0 HG LEU A 77 29.866 2.031 11.138 1.00 18.18 H new ATOM 0 HD11 LEU A 77 30.621 4.253 11.880 1.00 18.30 H new ATOM 0 HD12 LEU A 77 31.387 2.946 12.815 1.00 18.30 H new ATOM 0 HD13 LEU A 77 32.306 3.787 11.544 1.00 18.30 H new ATOM 0 HD21 LEU A 77 29.989 3.897 9.525 1.00 19.02 H new ATOM 0 HD22 LEU A 77 31.646 3.407 9.096 1.00 19.02 H new ATOM 0 HD23 LEU A 77 30.277 2.326 8.740 1.00 19.02 H new ATOM 431 N TYR A 78 30.351 -0.028 13.116 1.00 20.10 N ATOM 432 CA TYR A 78 29.314 -0.040 14.138 1.00 22.77 C ATOM 433 C TYR A 78 29.887 -0.474 15.485 1.00 24.25 C ATOM 434 O TYR A 78 29.302 -0.206 16.534 1.00 26.34 O ATOM 435 CB TYR A 78 28.169 -0.968 13.727 1.00 23.34 C ATOM 436 CG TYR A 78 27.419 -0.492 12.505 1.00 23.87 C ATOM 437 CD1 TYR A 78 27.217 0.879 12.272 1.00 24.83 C ATOM 438 CD2 TYR A 78 26.906 -1.409 11.571 1.00 23.61 C ATOM 439 CE1 TYR A 78 26.526 1.324 11.142 1.00 25.32 C ATOM 440 CE2 TYR A 78 26.214 -0.971 10.438 1.00 24.27 C ATOM 441 CZ TYR A 78 26.027 0.396 10.229 1.00 25.02 C ATOM 442 OH TYR A 78 25.346 0.831 9.115 1.00 25.67 O ATOM 0 H TYR A 78 30.221 -0.715 12.373 1.00 20.10 H new ATOM 0 HA TYR A 78 28.925 0.973 14.239 1.00 22.77 H new ATOM 0 HB2 TYR A 78 28.570 -1.963 13.533 1.00 23.34 H new ATOM 0 HB3 TYR A 78 27.471 -1.062 14.559 1.00 23.34 H new ATOM 0 HD1 TYR A 78 27.602 1.600 12.978 1.00 24.83 H new ATOM 0 HD2 TYR A 78 27.049 -2.467 11.731 1.00 23.61 H new ATOM 0 HE1 TYR A 78 26.379 2.381 10.977 1.00 25.32 H new ATOM 0 HE2 TYR A 78 25.826 -1.687 9.728 1.00 24.27 H new ATOM 0 HH TYR A 78 24.530 1.298 9.392 1.00 25.67 H new ATOM 452 N LYS A 79 31.040 -1.139 15.448 1.00 23.21 N ATOM 453 CA LYS A 79 31.694 -1.599 16.666 1.00 24.44 C ATOM 454 C LYS A 79 32.343 -0.432 17.400 1.00 25.91 C ATOM 455 O LYS A 79 32.495 -0.461 18.622 1.00 27.31 O ATOM 456 CB LYS A 79 32.747 -2.658 16.334 1.00 23.15 C ATOM 457 CG LYS A 79 33.183 -3.483 17.534 1.00 22.77 C ATOM 458 CD LYS A 79 34.199 -4.542 17.142 1.00 22.54 C ATOM 459 CE LYS A 79 33.538 -5.894 16.922 1.00 22.77 C ATOM 460 NZ LYS A 79 33.722 -6.799 18.090 1.00 24.48 N ATOM 0 H LYS A 79 31.538 -1.370 14.588 1.00 23.21 H new ATOM 0 HA LYS A 79 30.938 -2.041 17.315 1.00 24.44 H new ATOM 0 HB2 LYS A 79 32.349 -3.326 15.570 1.00 23.15 H new ATOM 0 HB3 LYS A 79 33.621 -2.167 15.905 1.00 23.15 H new ATOM 0 HG2 LYS A 79 33.613 -2.827 18.291 1.00 22.77 H new ATOM 0 HG3 LYS A 79 32.313 -3.961 17.984 1.00 22.77 H new ATOM 0 HD2 LYS A 79 34.713 -4.235 16.231 1.00 22.54 H new ATOM 0 HD3 LYS A 79 34.956 -4.628 17.922 1.00 22.54 H new ATOM 0 HE2 LYS A 79 32.473 -5.752 16.737 1.00 22.77 H new ATOM 0 HE3 LYS A 79 33.956 -6.362 16.031 1.00 22.77 H new ATOM 0 HZ1 LYS A 79 33.257 -7.710 17.900 1.00 24.48 H new ATOM 0 HZ2 LYS A 79 34.737 -6.956 18.251 1.00 24.48 H new ATOM 0 HZ3 LYS A 79 33.300 -6.365 18.936 1.00 24.48 H new ATOM 474 N LYS A 80 32.724 0.596 16.648 1.00 25.73 N ATOM 475 CA LYS A 80 33.356 1.774 17.226 1.00 27.08 C ATOM 476 C LYS A 80 32.348 2.599 18.018 1.00 29.21 C ATOM 477 O LYS A 80 32.709 3.291 18.970 1.00 30.86 O ATOM 478 CB LYS A 80 33.985 2.634 16.128 1.00 25.92 C ATOM 479 CG LYS A 80 35.149 3.482 16.613 1.00 24.13 C ATOM 480 CD LYS A 80 35.227 4.801 15.864 1.00 22.88 C ATOM 481 CE LYS A 80 34.150 5.770 16.327 1.00 23.62 C ATOM 482 NZ LYS A 80 32.983 5.788 15.403 1.00 25.00 N ATOM 0 H LYS A 80 32.605 0.636 15.636 1.00 25.73 H new ATOM 0 HA LYS A 80 34.138 1.437 17.906 1.00 27.08 H new ATOM 0 HB2 LYS A 80 34.329 1.986 15.322 1.00 25.92 H new ATOM 0 HB3 LYS A 80 33.221 3.287 15.707 1.00 25.92 H new ATOM 0 HG2 LYS A 80 35.040 3.674 17.680 1.00 24.13 H new ATOM 0 HG3 LYS A 80 36.081 2.932 16.481 1.00 24.13 H new ATOM 0 HD2 LYS A 80 36.209 5.248 16.015 1.00 22.88 H new ATOM 0 HD3 LYS A 80 35.120 4.620 14.794 1.00 22.88 H new ATOM 0 HE2 LYS A 80 33.817 5.491 17.327 1.00 23.62 H new ATOM 0 HE3 LYS A 80 34.571 6.773 16.399 1.00 23.62 H new ATOM 0 HZ1 LYS A 80 32.604 6.755 15.341 1.00 25.00 H new ATOM 0 HZ2 LYS A 80 33.283 5.473 14.458 1.00 25.00 H new ATOM 0 HZ3 LYS A 80 32.245 5.149 15.763 1.00 25.00 H new ATOM 496 N THR A 81 31.084 2.523 17.618 1.00 29.32 N ATOM 497 CA THR A 81 30.023 3.263 18.291 1.00 31.46 C ATOM 498 C THR A 81 29.813 2.746 19.709 1.00 33.78 C ATOM 499 O THR A 81 30.291 3.339 20.676 1.00 34.24 O ATOM 500 CB THR A 81 28.718 3.156 17.500 1.00 31.51 C ATOM 501 OG1 THR A 81 28.825 2.174 16.485 1.00 29.85 O ATOM 502 CG2 THR A 81 28.309 4.456 16.841 1.00 31.05 C ATOM 0 H THR A 81 30.769 1.956 16.831 1.00 29.32 H new ATOM 0 HA THR A 81 30.323 4.309 18.346 1.00 31.46 H new ATOM 0 HB THR A 81 27.958 2.884 18.233 1.00 31.51 H new ATOM 0 HG1 THR A 81 28.939 1.291 16.895 1.00 29.85 H new ATOM 0 HG21 THR A 81 27.376 4.310 16.297 1.00 31.05 H new ATOM 0 HG22 THR A 81 28.168 5.222 17.604 1.00 31.05 H new ATOM 0 HG23 THR A 81 29.088 4.773 16.147 1.00 31.05 H new ATOM 566 N ASP B 54 25.091 -6.013 18.518 1.00 32.98 N ATOM 567 CA ASP B 54 24.189 -5.230 17.679 1.00 30.21 C ATOM 568 C ASP B 54 24.911 -4.717 16.438 1.00 29.42 C ATOM 569 O ASP B 54 24.349 -4.693 15.344 1.00 28.20 O ATOM 570 CB ASP B 54 23.612 -4.056 18.470 1.00 29.66 C ATOM 571 CG ASP B 54 24.690 -3.151 19.033 1.00 29.51 C ATOM 572 OD1 ASP B 54 25.127 -2.229 18.312 1.00 29.14 O ATOM 573 OD2 ASP B 54 25.097 -3.364 20.194 1.00 29.77 O ATOM 0 HA ASP B 54 23.373 -5.879 17.361 1.00 30.21 H new ATOM 0 HB2 ASP B 54 22.955 -3.474 17.824 1.00 29.66 H new ATOM 0 HB3 ASP B 54 23.000 -4.438 19.287 1.00 29.66 H new ATOM 578 N ALA B 55 26.161 -4.304 16.618 1.00 30.21 N ATOM 579 CA ALA B 55 26.961 -3.790 15.514 1.00 29.66 C ATOM 580 C ALA B 55 27.017 -4.792 14.366 1.00 27.76 C ATOM 581 O ALA B 55 27.146 -4.412 13.203 1.00 26.34 O ATOM 582 CB ALA B 55 28.365 -3.453 15.993 1.00 31.99 C ATOM 0 H ALA B 55 26.641 -4.315 17.518 1.00 30.21 H new ATOM 0 HA ALA B 55 26.487 -2.880 15.145 1.00 29.66 H new ATOM 0 HB1 ALA B 55 28.952 -3.070 15.158 1.00 31.99 H new ATOM 0 HB2 ALA B 55 28.311 -2.696 16.776 1.00 31.99 H new ATOM 0 HB3 ALA B 55 28.840 -4.351 16.389 1.00 31.99 H new ATOM 588 N GLU B 56 26.919 -6.074 14.703 1.00 27.94 N ATOM 589 CA GLU B 56 26.957 -7.133 13.701 1.00 26.50 C ATOM 590 C GLU B 56 25.651 -7.185 12.914 1.00 24.03 C ATOM 591 O GLU B 56 25.653 -7.124 11.684 1.00 23.88 O ATOM 592 CB GLU B 56 27.217 -8.485 14.369 1.00 27.94 C ATOM 593 CG GLU B 56 27.604 -9.581 13.390 1.00 29.15 C ATOM 594 CD GLU B 56 26.935 -10.905 13.705 1.00 28.85 C ATOM 595 OE1 GLU B 56 26.372 -11.037 14.812 1.00 28.84 O ATOM 596 OE2 GLU B 56 26.975 -11.811 12.845 1.00 28.79 O ATOM 0 H GLU B 56 26.813 -6.405 15.662 1.00 27.94 H new ATOM 0 HA GLU B 56 27.769 -6.915 13.008 1.00 26.50 H new ATOM 0 HB2 GLU B 56 28.012 -8.370 15.106 1.00 27.94 H new ATOM 0 HB3 GLU B 56 26.322 -8.792 14.910 1.00 27.94 H new ATOM 0 HG2 GLU B 56 27.334 -9.273 12.380 1.00 29.15 H new ATOM 0 HG3 GLU B 56 28.686 -9.712 13.405 1.00 29.15 H new ATOM 603 N ARG B 57 24.538 -7.298 13.632 1.00 22.31 N ATOM 604 CA ARG B 57 23.225 -7.358 12.999 1.00 19.90 C ATOM 605 C ARG B 57 23.024 -6.180 12.053 1.00 18.27 C ATOM 606 O ARG B 57 22.519 -6.343 10.942 1.00 17.60 O ATOM 607 CB ARG B 57 22.124 -7.370 14.060 1.00 18.54 C ATOM 608 CG ARG B 57 21.852 -8.749 14.638 1.00 19.42 C ATOM 609 CD ARG B 57 20.361 -9.032 14.726 1.00 17.60 C ATOM 610 NE ARG B 57 19.809 -8.658 16.026 1.00 18.93 N ATOM 611 CZ ARG B 57 20.150 -9.246 17.167 1.00 20.47 C ATOM 612 NH1 ARG B 57 21.036 -10.233 17.169 1.00 20.74 N ATOM 613 NH2 ARG B 57 19.605 -8.848 18.309 1.00 21.93 N ATOM 0 H ARG B 57 24.519 -7.350 14.651 1.00 22.31 H new ATOM 0 HA ARG B 57 23.170 -8.279 12.419 1.00 19.90 H new ATOM 0 HB2 ARG B 57 22.403 -6.695 14.869 1.00 18.54 H new ATOM 0 HB3 ARG B 57 21.205 -6.981 13.622 1.00 18.54 H new ATOM 0 HG2 ARG B 57 22.331 -9.506 14.017 1.00 19.42 H new ATOM 0 HG3 ARG B 57 22.297 -8.823 15.630 1.00 19.42 H new ATOM 0 HD2 ARG B 57 19.841 -8.484 13.940 1.00 17.60 H new ATOM 0 HD3 ARG B 57 20.182 -10.092 14.548 1.00 17.60 H new ATOM 0 HE ARG B 57 19.124 -7.903 16.059 1.00 18.93 H new ATOM 0 HH11 ARG B 57 21.457 -10.542 16.293 1.00 20.74 H new ATOM 0 HH12 ARG B 57 21.296 -10.683 18.047 1.00 20.74 H new ATOM 0 HH21 ARG B 57 18.923 -8.089 18.312 1.00 21.93 H new ATOM 0 HH22 ARG B 57 19.868 -9.301 19.185 1.00 21.93 H new ATOM 627 N LEU B 58 23.424 -4.997 12.500 1.00 17.87 N ATOM 628 CA LEU B 58 23.290 -3.791 11.692 1.00 16.31 C ATOM 629 C LEU B 58 24.054 -3.932 10.382 1.00 16.23 C ATOM 630 O LEU B 58 23.473 -3.850 9.300 1.00 15.15 O ATOM 631 CB LEU B 58 23.797 -2.571 12.464 1.00 15.41 C ATOM 632 CG LEU B 58 22.928 -2.146 13.649 1.00 14.73 C ATOM 633 CD1 LEU B 58 23.660 -1.126 14.506 1.00 15.24 C ATOM 634 CD2 LEU B 58 21.602 -1.582 13.161 1.00 12.41 C ATOM 0 H LEU B 58 23.844 -4.846 13.417 1.00 17.87 H new ATOM 0 HA LEU B 58 22.233 -3.651 11.465 1.00 16.31 H new ATOM 0 HB2 LEU B 58 24.802 -2.783 12.828 1.00 15.41 H new ATOM 0 HB3 LEU B 58 23.878 -1.732 11.774 1.00 15.41 H new ATOM 0 HG LEU B 58 22.723 -3.025 14.261 1.00 14.73 H new ATOM 0 HD11 LEU B 58 23.028 -0.834 15.345 1.00 15.24 H new ATOM 0 HD12 LEU B 58 24.584 -1.564 14.883 1.00 15.24 H new ATOM 0 HD13 LEU B 58 23.894 -0.247 13.905 1.00 15.24 H new ATOM 0 HD21 LEU B 58 20.996 -1.285 14.017 1.00 12.41 H new ATOM 0 HD22 LEU B 58 21.787 -0.714 12.528 1.00 12.41 H new ATOM 0 HD23 LEU B 58 21.072 -2.343 12.588 1.00 12.41 H new ATOM 646 N ALA B 59 25.359 -4.149 10.490 1.00 17.42 N ATOM 647 CA ALA B 59 26.210 -4.309 9.317 1.00 17.55 C ATOM 648 C ALA B 59 25.610 -5.312 8.339 1.00 18.36 C ATOM 649 O ALA B 59 25.796 -5.199 7.127 1.00 18.74 O ATOM 650 CB ALA B 59 27.607 -4.744 9.734 1.00 17.74 C ATOM 0 H ALA B 59 25.852 -4.218 11.380 1.00 17.42 H new ATOM 0 HA ALA B 59 26.278 -3.345 8.812 1.00 17.55 H new ATOM 0 HB1 ALA B 59 28.232 -4.860 8.848 1.00 17.74 H new ATOM 0 HB2 ALA B 59 28.043 -3.990 10.389 1.00 17.74 H new ATOM 0 HB3 ALA B 59 27.549 -5.695 10.264 1.00 17.74 H new ATOM 656 N ASP B 60 24.885 -6.290 8.873 1.00 18.91 N ATOM 657 CA ASP B 60 24.252 -7.309 8.045 1.00 19.89 C ATOM 658 C ASP B 60 23.075 -6.723 7.275 1.00 18.11 C ATOM 659 O ASP B 60 23.078 -6.695 6.044 1.00 18.37 O ATOM 660 CB ASP B 60 23.780 -8.481 8.907 1.00 21.97 C ATOM 661 CG ASP B 60 23.072 -9.547 8.094 1.00 22.42 C ATOM 662 OD1 ASP B 60 23.254 -9.569 6.858 1.00 22.33 O ATOM 663 OD2 ASP B 60 22.335 -10.359 8.691 1.00 23.08 O ATOM 0 H ASP B 60 24.722 -6.398 9.874 1.00 18.91 H new ATOM 0 HA ASP B 60 24.991 -7.671 7.330 1.00 19.89 H new ATOM 0 HB2 ASP B 60 24.637 -8.924 9.414 1.00 21.97 H new ATOM 0 HB3 ASP B 60 23.107 -8.112 9.681 1.00 21.97 H new ATOM 668 N GLU B 61 22.073 -6.249 8.007 1.00 16.43 N ATOM 669 CA GLU B 61 20.891 -5.657 7.390 1.00 14.95 C ATOM 670 C GLU B 61 21.284 -4.490 6.491 1.00 12.97 C ATOM 671 O GLU B 61 20.704 -4.291 5.425 1.00 12.31 O ATOM 672 CB GLU B 61 19.910 -5.186 8.463 1.00 14.73 C ATOM 673 CG GLU B 61 19.464 -6.292 9.406 1.00 15.12 C ATOM 674 CD GLU B 61 18.077 -6.812 9.082 1.00 15.70 C ATOM 675 OE1 GLU B 61 17.970 -7.739 8.252 1.00 17.04 O ATOM 676 OE2 GLU B 61 17.098 -6.292 9.658 1.00 15.10 O ATOM 0 H GLU B 61 22.055 -6.263 9.027 1.00 16.43 H new ATOM 0 HA GLU B 61 20.405 -6.418 6.780 1.00 14.95 H new ATOM 0 HB2 GLU B 61 20.375 -4.390 9.044 1.00 14.73 H new ATOM 0 HB3 GLU B 61 19.033 -4.757 7.979 1.00 14.73 H new ATOM 0 HG2 GLU B 61 20.177 -7.115 9.357 1.00 15.12 H new ATOM 0 HG3 GLU B 61 19.478 -5.919 10.430 1.00 15.12 H new ATOM 683 N GLN B 62 22.279 -3.726 6.929 1.00 12.30 N ATOM 684 CA GLN B 62 22.759 -2.581 6.166 1.00 11.11 C ATOM 685 C GLN B 62 23.513 -3.040 4.923 1.00 10.09 C ATOM 686 O GLN B 62 23.351 -2.474 3.841 1.00 9.62 O ATOM 687 CB GLN B 62 23.665 -1.711 7.038 1.00 11.80 C ATOM 688 CG GLN B 62 22.910 -0.709 7.900 1.00 13.31 C ATOM 689 CD GLN B 62 21.661 -1.292 8.533 1.00 13.63 C ATOM 690 OE1 GLN B 62 20.809 -1.860 7.848 1.00 13.09 O ATOM 691 NE2 GLN B 62 21.545 -1.151 9.848 1.00 14.92 N ATOM 0 H GLN B 62 22.769 -3.880 7.810 1.00 12.30 H new ATOM 0 HA GLN B 62 21.898 -1.992 5.849 1.00 11.11 H new ATOM 0 HB2 GLN B 62 24.260 -2.356 7.684 1.00 11.80 H new ATOM 0 HB3 GLN B 62 24.362 -1.172 6.397 1.00 11.80 H new ATOM 0 HG2 GLN B 62 23.571 -0.343 8.685 1.00 13.31 H new ATOM 0 HG3 GLN B 62 22.634 0.151 7.290 1.00 13.31 H new ATOM 0 HE21 GLN B 62 22.275 -0.673 10.376 1.00 14.92 H new ATOM 0 HE22 GLN B 62 20.726 -1.520 10.330 1.00 14.92 H new ATOM 700 N SER B 63 24.338 -4.071 5.083 1.00 10.48 N ATOM 701 CA SER B 63 25.114 -4.608 3.971 1.00 10.46 C ATOM 702 C SER B 63 24.204 -5.289 2.956 1.00 8.39 C ATOM 703 O SER B 63 24.198 -4.935 1.777 1.00 7.75 O ATOM 704 CB SER B 63 26.163 -5.599 4.480 1.00 12.69 C ATOM 705 OG SER B 63 25.551 -6.690 5.147 1.00 12.16 O ATOM 0 H SER B 63 24.486 -4.550 5.971 1.00 10.48 H new ATOM 0 HA SER B 63 25.621 -3.777 3.480 1.00 10.46 H new ATOM 0 HB2 SER B 63 26.757 -5.967 3.643 1.00 12.69 H new ATOM 0 HB3 SER B 63 26.848 -5.092 5.159 1.00 12.69 H new ATOM 0 HG SER B 63 24.768 -6.372 5.644 1.00 12.16 H new ATOM 711 N GLU B 64 23.428 -6.263 3.421 1.00 7.71 N ATOM 712 CA GLU B 64 22.507 -6.987 2.555 1.00 5.90 C ATOM 713 C GLU B 64 21.657 -6.015 1.744 1.00 4.08 C ATOM 714 O GLU B 64 21.260 -6.311 0.617 1.00 3.50 O ATOM 715 CB GLU B 64 21.609 -7.901 3.390 1.00 5.30 C ATOM 716 CG GLU B 64 20.636 -7.150 4.284 1.00 5.69 C ATOM 717 CD GLU B 64 19.431 -6.627 3.527 1.00 4.85 C ATOM 718 OE1 GLU B 64 19.157 -7.138 2.421 1.00 5.63 O ATOM 719 OE2 GLU B 64 18.761 -5.706 4.040 1.00 4.26 O ATOM 0 H GLU B 64 23.419 -6.569 4.394 1.00 7.71 H new ATOM 0 HA GLU B 64 23.089 -7.597 1.864 1.00 5.90 H new ATOM 0 HB2 GLU B 64 21.046 -8.552 2.721 1.00 5.30 H new ATOM 0 HB3 GLU B 64 22.235 -8.544 4.009 1.00 5.30 H new ATOM 0 HG2 GLU B 64 20.299 -7.810 5.083 1.00 5.69 H new ATOM 0 HG3 GLU B 64 21.153 -6.315 4.757 1.00 5.69 H new ATOM 726 N LEU B 65 21.391 -4.850 2.325 1.00 3.45 N ATOM 727 CA LEU B 65 20.597 -3.827 1.659 1.00 2.82 C ATOM 728 C LEU B 65 21.328 -3.296 0.432 1.00 2.32 C ATOM 729 O LEU B 65 20.737 -3.130 -0.635 1.00 3.19 O ATOM 730 CB LEU B 65 20.291 -2.679 2.623 1.00 2.24 C ATOM 731 CG LEU B 65 18.821 -2.264 2.691 1.00 4.42 C ATOM 732 CD1 LEU B 65 18.367 -2.145 4.138 1.00 5.66 C ATOM 733 CD2 LEU B 65 18.603 -0.952 1.953 1.00 4.60 C ATOM 0 H LEU B 65 21.715 -4.592 3.257 1.00 3.45 H new ATOM 0 HA LEU B 65 19.658 -4.278 1.338 1.00 2.82 H new ATOM 0 HB2 LEU B 65 20.618 -2.967 3.622 1.00 2.24 H new ATOM 0 HB3 LEU B 65 20.884 -1.812 2.331 1.00 2.24 H new ATOM 0 HG LEU B 65 18.223 -3.035 2.206 1.00 4.42 H new ATOM 0 HD11 LEU B 65 17.318 -1.849 4.167 1.00 5.66 H new ATOM 0 HD12 LEU B 65 18.486 -3.107 4.637 1.00 5.66 H new ATOM 0 HD13 LEU B 65 18.970 -1.394 4.648 1.00 5.66 H new ATOM 0 HD21 LEU B 65 17.551 -0.672 2.012 1.00 4.60 H new ATOM 0 HD22 LEU B 65 19.212 -0.172 2.410 1.00 4.60 H new ATOM 0 HD23 LEU B 65 18.889 -1.071 0.908 1.00 4.60 H new ATOM 745 N VAL B 66 22.623 -3.037 0.591 1.00 1.36 N ATOM 746 CA VAL B 66 23.439 -2.530 -0.505 1.00 1.67 C ATOM 747 C VAL B 66 23.465 -3.518 -1.665 1.00 3.11 C ATOM 748 O VAL B 66 23.535 -3.125 -2.829 1.00 4.00 O ATOM 749 CB VAL B 66 24.883 -2.250 -0.050 1.00 4.54 C ATOM 750 CG1 VAL B 66 25.639 -1.473 -1.118 1.00 5.39 C ATOM 751 CG2 VAL B 66 24.889 -1.498 1.272 1.00 5.95 C ATOM 0 H VAL B 66 23.128 -3.170 1.467 1.00 1.36 H new ATOM 0 HA VAL B 66 22.985 -1.595 -0.834 1.00 1.67 H new ATOM 0 HB VAL B 66 25.389 -3.204 0.098 1.00 4.54 H new ATOM 0 HG11 VAL B 66 26.657 -1.285 -0.778 1.00 5.39 H new ATOM 0 HG12 VAL B 66 25.666 -2.054 -2.040 1.00 5.39 H new ATOM 0 HG13 VAL B 66 25.136 -0.523 -1.302 1.00 5.39 H new ATOM 0 HG21 VAL B 66 25.918 -1.309 1.578 1.00 5.95 H new ATOM 0 HG22 VAL B 66 24.365 -0.549 1.153 1.00 5.95 H new ATOM 0 HG23 VAL B 66 24.388 -2.096 2.033 1.00 5.95 H new ATOM 761 N LYS B 67 23.406 -4.805 -1.337 1.00 4.45 N ATOM 762 CA LYS B 67 23.420 -5.851 -2.351 1.00 6.77 C ATOM 763 C LYS B 67 22.211 -5.726 -3.269 1.00 8.21 C ATOM 764 O LYS B 67 22.352 -5.494 -4.469 1.00 8.97 O ATOM 765 CB LYS B 67 23.435 -7.231 -1.690 1.00 8.79 C ATOM 766 CG LYS B 67 23.694 -8.369 -2.665 1.00 9.02 C ATOM 767 CD LYS B 67 22.764 -9.543 -2.410 1.00 11.38 C ATOM 768 CE LYS B 67 23.481 -10.680 -1.698 1.00 13.28 C ATOM 769 NZ LYS B 67 22.748 -11.968 -1.828 1.00 15.54 N ATOM 0 H LYS B 67 23.348 -5.147 -0.378 1.00 4.45 H new ATOM 0 HA LYS B 67 24.324 -5.735 -2.949 1.00 6.77 H new ATOM 0 HB2 LYS B 67 24.202 -7.246 -0.915 1.00 8.79 H new ATOM 0 HB3 LYS B 67 22.478 -7.398 -1.195 1.00 8.79 H new ATOM 0 HG2 LYS B 67 23.560 -8.012 -3.686 1.00 9.02 H new ATOM 0 HG3 LYS B 67 24.729 -8.698 -2.576 1.00 9.02 H new ATOM 0 HD2 LYS B 67 21.917 -9.213 -1.809 1.00 11.38 H new ATOM 0 HD3 LYS B 67 22.362 -9.902 -3.357 1.00 11.38 H new ATOM 0 HE2 LYS B 67 24.484 -10.790 -2.110 1.00 13.28 H new ATOM 0 HE3 LYS B 67 23.595 -10.432 -0.643 1.00 13.28 H new ATOM 0 HZ1 LYS B 67 23.270 -12.716 -1.329 1.00 15.54 H new ATOM 0 HZ2 LYS B 67 21.800 -11.871 -1.412 1.00 15.54 H new ATOM 0 HZ3 LYS B 67 22.661 -12.218 -2.834 1.00 15.54 H new ATOM 783 N LYS B 68 21.022 -5.876 -2.697 1.00 9.11 N ATOM 784 CA LYS B 68 19.788 -5.775 -3.465 1.00 11.02 C ATOM 785 C LYS B 68 19.726 -4.442 -4.202 1.00 11.02 C ATOM 786 O LYS B 68 19.087 -4.328 -5.248 1.00 12.09 O ATOM 787 CB LYS B 68 18.574 -5.921 -2.545 1.00 11.15 C ATOM 788 CG LYS B 68 18.631 -7.153 -1.657 1.00 12.97 C ATOM 789 CD LYS B 68 17.263 -7.492 -1.085 1.00 15.13 C ATOM 790 CE LYS B 68 17.234 -8.895 -0.503 1.00 16.77 C ATOM 791 NZ LYS B 68 16.558 -8.935 0.823 1.00 18.38 N ATOM 0 H LYS B 68 20.887 -6.068 -1.704 1.00 9.11 H new ATOM 0 HA LYS B 68 19.773 -6.582 -4.198 1.00 11.02 H new ATOM 0 HB2 LYS B 68 18.495 -5.034 -1.917 1.00 11.15 H new ATOM 0 HB3 LYS B 68 17.670 -5.963 -3.153 1.00 11.15 H new ATOM 0 HG2 LYS B 68 19.006 -8.000 -2.232 1.00 12.97 H new ATOM 0 HG3 LYS B 68 19.335 -6.983 -0.842 1.00 12.97 H new ATOM 0 HD2 LYS B 68 17.002 -6.770 -0.311 1.00 15.13 H new ATOM 0 HD3 LYS B 68 16.509 -7.406 -1.867 1.00 15.13 H new ATOM 0 HE2 LYS B 68 16.719 -9.563 -1.193 1.00 16.77 H new ATOM 0 HE3 LYS B 68 18.254 -9.267 -0.401 1.00 16.77 H new ATOM 0 HZ1 LYS B 68 16.560 -9.910 1.184 1.00 18.38 H new ATOM 0 HZ2 LYS B 68 17.064 -8.318 1.489 1.00 18.38 H new ATOM 0 HZ3 LYS B 68 15.577 -8.605 0.723 1.00 18.38 H new ATOM 805 N MET B 69 20.398 -3.436 -3.651 1.00 10.38 N ATOM 806 CA MET B 69 20.426 -2.112 -4.256 1.00 11.14 C ATOM 807 C MET B 69 21.339 -2.098 -5.477 1.00 12.35 C ATOM 808 O MET B 69 20.937 -1.682 -6.564 1.00 12.91 O ATOM 809 CB MET B 69 20.900 -1.074 -3.237 1.00 9.41 C ATOM 810 CG MET B 69 20.778 0.361 -3.726 1.00 10.19 C ATOM 811 SD MET B 69 21.665 1.530 -2.678 1.00 10.18 S ATOM 812 CE MET B 69 23.301 0.803 -2.666 1.00 8.75 C ATOM 0 H MET B 69 20.931 -3.514 -2.785 1.00 10.38 H new ATOM 0 HA MET B 69 19.415 -1.860 -4.575 1.00 11.14 H new ATOM 0 HB2 MET B 69 20.321 -1.187 -2.320 1.00 9.41 H new ATOM 0 HB3 MET B 69 21.941 -1.275 -2.984 1.00 9.41 H new ATOM 0 HG2 MET B 69 21.162 0.428 -4.744 1.00 10.19 H new ATOM 0 HG3 MET B 69 19.725 0.640 -3.764 1.00 10.19 H new ATOM 0 HE1 MET B 69 23.983 1.451 -2.116 1.00 8.75 H new ATOM 0 HE2 MET B 69 23.261 -0.174 -2.185 1.00 8.75 H new ATOM 0 HE3 MET B 69 23.656 0.689 -3.690 1.00 8.75 H new ATOM 822 N VAL B 70 22.572 -2.562 -5.291 1.00 12.89 N ATOM 823 CA VAL B 70 23.539 -2.608 -6.378 1.00 14.14 C ATOM 824 C VAL B 70 23.202 -3.726 -7.359 1.00 15.20 C ATOM 825 O VAL B 70 23.600 -3.683 -8.524 1.00 14.94 O ATOM 826 CB VAL B 70 24.971 -2.811 -5.849 1.00 13.13 C ATOM 827 CG1 VAL B 70 25.966 -2.850 -6.999 1.00 13.78 C ATOM 828 CG2 VAL B 70 25.330 -1.712 -4.859 1.00 11.00 C ATOM 0 H VAL B 70 22.922 -2.910 -4.399 1.00 12.89 H new ATOM 0 HA VAL B 70 23.488 -1.649 -6.893 1.00 14.14 H new ATOM 0 HB VAL B 70 25.017 -3.768 -5.330 1.00 13.13 H new ATOM 0 HG11 VAL B 70 26.972 -2.994 -6.605 1.00 13.78 H new ATOM 0 HG12 VAL B 70 25.717 -3.674 -7.668 1.00 13.78 H new ATOM 0 HG13 VAL B 70 25.923 -1.910 -7.549 1.00 13.78 H new ATOM 0 HG21 VAL B 70 26.345 -1.869 -4.494 1.00 11.00 H new ATOM 0 HG22 VAL B 70 25.268 -0.743 -5.353 1.00 11.00 H new ATOM 0 HG23 VAL B 70 24.635 -1.737 -4.020 1.00 11.00 H new ATOM 838 N PHE B 71 22.460 -4.723 -6.885 1.00 16.67 N ATOM 839 CA PHE B 71 22.063 -5.846 -7.725 1.00 18.15 C ATOM 840 C PHE B 71 21.116 -5.378 -8.824 1.00 19.47 C ATOM 841 O PHE B 71 21.269 -5.745 -9.989 1.00 19.49 O ATOM 842 CB PHE B 71 21.393 -6.931 -6.881 1.00 20.06 C ATOM 843 CG PHE B 71 20.887 -8.094 -7.687 1.00 21.54 C ATOM 844 CD1 PHE B 71 21.650 -8.621 -8.739 1.00 22.22 C ATOM 845 CD2 PHE B 71 19.643 -8.673 -7.399 1.00 22.63 C ATOM 846 CE1 PHE B 71 21.181 -9.703 -9.490 1.00 23.89 C ATOM 847 CE2 PHE B 71 19.168 -9.755 -8.145 1.00 24.18 C ATOM 848 CZ PHE B 71 19.938 -10.271 -9.192 1.00 24.78 C ATOM 0 H PHE B 71 22.122 -4.775 -5.924 1.00 16.67 H new ATOM 0 HA PHE B 71 22.957 -6.264 -8.188 1.00 18.15 H new ATOM 0 HB2 PHE B 71 22.105 -7.295 -6.141 1.00 20.06 H new ATOM 0 HB3 PHE B 71 20.561 -6.490 -6.332 1.00 20.06 H new ATOM 0 HD1 PHE B 71 22.611 -8.186 -8.972 1.00 22.22 H new ATOM 0 HD2 PHE B 71 19.045 -8.278 -6.591 1.00 22.63 H new ATOM 0 HE1 PHE B 71 21.777 -10.099 -10.299 1.00 23.89 H new ATOM 0 HE2 PHE B 71 18.208 -10.192 -7.913 1.00 24.18 H new ATOM 0 HZ PHE B 71 19.573 -11.107 -9.770 1.00 24.78 H new ATOM 858 N ASP B 72 20.140 -4.560 -8.445 1.00 20.77 N ATOM 859 CA ASP B 72 19.172 -4.033 -9.399 1.00 22.54 C ATOM 860 C ASP B 72 19.865 -3.148 -10.429 1.00 21.74 C ATOM 861 O ASP B 72 19.561 -3.209 -11.621 1.00 22.15 O ATOM 862 CB ASP B 72 18.084 -3.240 -8.672 1.00 24.33 C ATOM 863 CG ASP B 72 16.752 -3.288 -9.395 1.00 26.60 C ATOM 864 OD1 ASP B 72 16.155 -4.382 -9.466 1.00 26.87 O ATOM 865 OD2 ASP B 72 16.307 -2.231 -9.890 1.00 28.24 O ATOM 0 H ASP B 72 19.999 -4.248 -7.484 1.00 20.77 H new ATOM 0 HA ASP B 72 18.708 -4.873 -9.916 1.00 22.54 H new ATOM 0 HB2 ASP B 72 17.962 -3.637 -7.664 1.00 24.33 H new ATOM 0 HB3 ASP B 72 18.402 -2.202 -8.570 1.00 24.33 H new ATOM 870 N THR B 73 20.800 -2.328 -9.961 1.00 20.88 N ATOM 871 CA THR B 73 21.541 -1.432 -10.840 1.00 20.46 C ATOM 872 C THR B 73 22.317 -2.221 -11.890 1.00 20.66 C ATOM 873 O THR B 73 22.139 -2.018 -13.090 1.00 22.26 O ATOM 874 CB THR B 73 22.501 -0.564 -10.027 1.00 17.87 C ATOM 875 OG1 THR B 73 21.786 0.272 -9.134 1.00 17.84 O ATOM 876 CG2 THR B 73 23.378 0.322 -10.882 1.00 16.79 C ATOM 0 H THR B 73 21.062 -2.266 -8.977 1.00 20.88 H new ATOM 0 HA THR B 73 20.824 -0.788 -11.350 1.00 20.46 H new ATOM 0 HB THR B 73 23.138 -1.265 -9.488 1.00 17.87 H new ATOM 0 HG1 THR B 73 21.520 -0.244 -8.345 1.00 17.84 H new ATOM 0 HG21 THR B 73 24.035 0.911 -10.242 1.00 16.79 H new ATOM 0 HG22 THR B 73 23.980 -0.296 -11.548 1.00 16.79 H new ATOM 0 HG23 THR B 73 22.753 0.991 -11.473 1.00 16.79 H new ATOM 884 N LEU B 74 23.180 -3.122 -11.430 1.00 19.15 N ATOM 885 CA LEU B 74 23.982 -3.941 -12.332 1.00 19.20 C ATOM 886 C LEU B 74 23.101 -4.612 -13.379 1.00 20.57 C ATOM 887 O LEU B 74 23.447 -4.656 -14.559 1.00 20.79 O ATOM 888 CB LEU B 74 24.755 -5.001 -11.545 1.00 17.09 C ATOM 889 CG LEU B 74 25.771 -4.453 -10.542 1.00 14.51 C ATOM 890 CD1 LEU B 74 26.132 -5.516 -9.516 1.00 14.24 C ATOM 891 CD2 LEU B 74 27.018 -3.962 -11.264 1.00 12.59 C ATOM 0 H LEU B 74 23.342 -3.303 -10.439 1.00 19.15 H new ATOM 0 HA LEU B 74 24.692 -3.289 -12.840 1.00 19.20 H new ATOM 0 HB2 LEU B 74 24.041 -5.626 -11.010 1.00 17.09 H new ATOM 0 HB3 LEU B 74 25.277 -5.646 -12.251 1.00 17.09 H new ATOM 0 HG LEU B 74 25.321 -3.609 -10.019 1.00 14.51 H new ATOM 0 HD11 LEU B 74 26.856 -5.109 -8.810 1.00 14.24 H new ATOM 0 HD12 LEU B 74 25.235 -5.823 -8.979 1.00 14.24 H new ATOM 0 HD13 LEU B 74 26.565 -6.379 -10.023 1.00 14.24 H new ATOM 0 HD21 LEU B 74 27.731 -3.575 -10.536 1.00 12.59 H new ATOM 0 HD22 LEU B 74 27.471 -4.789 -11.812 1.00 12.59 H new ATOM 0 HD23 LEU B 74 26.746 -3.170 -11.962 1.00 12.59 H new ATOM 903 N LYS B 75 21.956 -5.130 -12.941 1.00 21.62 N ATOM 904 CA LYS B 75 21.025 -5.794 -13.845 1.00 23.25 C ATOM 905 C LYS B 75 20.729 -4.911 -15.052 1.00 25.12 C ATOM 906 O LYS B 75 20.682 -5.385 -16.187 1.00 26.30 O ATOM 907 CB LYS B 75 19.724 -6.137 -13.114 1.00 22.95 C ATOM 908 CG LYS B 75 18.790 -7.025 -13.921 1.00 23.96 C ATOM 909 CD LYS B 75 17.965 -7.929 -13.020 1.00 23.28 C ATOM 910 CE LYS B 75 16.948 -8.729 -13.817 1.00 24.54 C ATOM 911 NZ LYS B 75 16.751 -10.095 -13.257 1.00 23.72 N ATOM 0 H LYS B 75 21.653 -5.102 -11.968 1.00 21.62 H new ATOM 0 HA LYS B 75 21.487 -6.718 -14.194 1.00 23.25 H new ATOM 0 HB2 LYS B 75 19.965 -6.635 -12.175 1.00 22.95 H new ATOM 0 HB3 LYS B 75 19.205 -5.213 -12.860 1.00 22.95 H new ATOM 0 HG2 LYS B 75 18.126 -6.405 -14.522 1.00 23.96 H new ATOM 0 HG3 LYS B 75 19.372 -7.633 -14.614 1.00 23.96 H new ATOM 0 HD2 LYS B 75 18.625 -8.610 -12.483 1.00 23.28 H new ATOM 0 HD3 LYS B 75 17.450 -7.327 -12.271 1.00 23.28 H new ATOM 0 HE2 LYS B 75 15.995 -8.199 -13.825 1.00 24.54 H new ATOM 0 HE3 LYS B 75 17.278 -8.806 -14.853 1.00 24.54 H new ATOM 0 HZ1 LYS B 75 16.050 -10.607 -13.830 1.00 23.72 H new ATOM 0 HZ2 LYS B 75 17.654 -10.610 -13.273 1.00 23.72 H new ATOM 0 HZ3 LYS B 75 16.411 -10.023 -12.277 1.00 23.72 H new ATOM 925 N ASP B 76 20.539 -3.622 -14.797 1.00 25.49 N ATOM 926 CA ASP B 76 20.258 -2.666 -15.857 1.00 27.32 C ATOM 927 C ASP B 76 21.537 -2.300 -16.600 1.00 28.01 C ATOM 928 O ASP B 76 21.513 -2.000 -17.793 1.00 29.74 O ATOM 929 CB ASP B 76 19.609 -1.406 -15.279 1.00 27.24 C ATOM 930 CG ASP B 76 18.376 -1.719 -14.455 1.00 28.09 C ATOM 931 OD1 ASP B 76 18.351 -2.785 -13.803 1.00 28.91 O ATOM 932 OD2 ASP B 76 17.433 -0.900 -14.462 1.00 28.06 O ATOM 0 H ASP B 76 20.575 -3.216 -13.862 1.00 25.49 H new ATOM 0 HA ASP B 76 19.566 -3.128 -16.561 1.00 27.32 H new ATOM 0 HB2 ASP B 76 20.334 -0.879 -14.658 1.00 27.24 H new ATOM 0 HB3 ASP B 76 19.338 -0.734 -16.093 1.00 27.24 H new ATOM 937 N LEU B 77 22.656 -2.336 -15.883 1.00 26.69 N ATOM 938 CA LEU B 77 23.950 -2.016 -16.468 1.00 27.26 C ATOM 939 C LEU B 77 24.311 -3.028 -17.550 1.00 28.61 C ATOM 940 O LEU B 77 24.734 -2.659 -18.645 1.00 30.20 O ATOM 941 CB LEU B 77 25.028 -2.007 -15.384 1.00 25.43 C ATOM 942 CG LEU B 77 25.046 -0.762 -14.497 1.00 23.97 C ATOM 943 CD1 LEU B 77 25.958 -0.977 -13.300 1.00 21.22 C ATOM 944 CD2 LEU B 77 25.490 0.455 -15.295 1.00 24.92 C ATOM 0 H LEU B 77 22.691 -2.584 -14.894 1.00 26.69 H new ATOM 0 HA LEU B 77 23.890 -1.026 -16.921 1.00 27.26 H new ATOM 0 HB2 LEU B 77 24.891 -2.883 -14.750 1.00 25.43 H new ATOM 0 HB3 LEU B 77 26.003 -2.108 -15.862 1.00 25.43 H new ATOM 0 HG LEU B 77 24.035 -0.583 -14.132 1.00 23.97 H new ATOM 0 HD11 LEU B 77 25.960 -0.082 -12.678 1.00 21.22 H new ATOM 0 HD12 LEU B 77 25.598 -1.824 -12.716 1.00 21.22 H new ATOM 0 HD13 LEU B 77 26.971 -1.180 -13.646 1.00 21.22 H new ATOM 0 HD21 LEU B 77 25.497 1.332 -14.648 1.00 24.92 H new ATOM 0 HD22 LEU B 77 26.493 0.286 -15.688 1.00 24.92 H new ATOM 0 HD23 LEU B 77 24.799 0.620 -16.122 1.00 24.92 H new ATOM 956 N TYR B 78 24.134 -4.306 -17.234 1.00 28.13 N ATOM 957 CA TYR B 78 24.434 -5.377 -18.176 1.00 29.51 C ATOM 958 C TYR B 78 23.308 -5.529 -19.192 1.00 31.54 C ATOM 959 O TYR B 78 23.552 -5.763 -20.376 1.00 31.55 O ATOM 960 CB TYR B 78 24.650 -6.696 -17.432 1.00 30.48 C ATOM 961 CG TYR B 78 26.100 -6.977 -17.105 1.00 29.57 C ATOM 962 CD1 TYR B 78 27.018 -7.300 -18.118 1.00 29.36 C ATOM 963 CD2 TYR B 78 26.563 -6.924 -15.778 1.00 29.02 C ATOM 964 CE1 TYR B 78 28.358 -7.561 -17.819 1.00 28.70 C ATOM 965 CE2 TYR B 78 27.901 -7.182 -15.472 1.00 28.41 C ATOM 966 CZ TYR B 78 28.794 -7.501 -16.495 1.00 28.29 C ATOM 967 OH TYR B 78 30.113 -7.757 -16.197 1.00 27.88 O ATOM 0 H TYR B 78 23.784 -4.626 -16.331 1.00 28.13 H new ATOM 0 HA TYR B 78 25.350 -5.118 -18.707 1.00 29.51 H new ATOM 0 HB2 TYR B 78 24.074 -6.680 -16.507 1.00 30.48 H new ATOM 0 HB3 TYR B 78 24.258 -7.513 -18.037 1.00 30.48 H new ATOM 0 HD1 TYR B 78 26.683 -7.347 -19.144 1.00 29.36 H new ATOM 0 HD2 TYR B 78 25.873 -6.680 -14.984 1.00 29.02 H new ATOM 0 HE1 TYR B 78 29.052 -7.808 -18.609 1.00 28.70 H new ATOM 0 HE2 TYR B 78 28.243 -7.135 -14.449 1.00 28.41 H new ATOM 0 HH TYR B 78 30.252 -7.673 -15.231 1.00 27.88 H new ATOM 977 N LYS B 79 22.072 -5.395 -18.720 1.00 33.31 N ATOM 978 CA LYS B 79 20.905 -5.515 -19.583 1.00 35.46 C ATOM 979 C LYS B 79 20.925 -4.446 -20.670 1.00 35.95 C ATOM 980 O LYS B 79 20.400 -4.648 -21.765 1.00 36.10 O ATOM 981 CB LYS B 79 19.621 -5.400 -18.761 1.00 35.43 C ATOM 982 CG LYS B 79 18.354 -5.544 -19.587 1.00 37.64 C ATOM 983 CD LYS B 79 17.221 -6.146 -18.773 1.00 39.06 C ATOM 984 CE LYS B 79 17.346 -7.658 -18.677 1.00 38.27 C ATOM 985 NZ LYS B 79 16.551 -8.351 -19.729 1.00 40.25 N ATOM 0 H LYS B 79 21.854 -5.203 -17.742 1.00 33.31 H new ATOM 0 HA LYS B 79 20.934 -6.495 -20.059 1.00 35.46 H new ATOM 0 HB2 LYS B 79 19.627 -6.165 -17.984 1.00 35.43 H new ATOM 0 HB3 LYS B 79 19.608 -4.434 -18.257 1.00 35.43 H new ATOM 0 HG2 LYS B 79 18.052 -4.567 -19.965 1.00 37.64 H new ATOM 0 HG3 LYS B 79 18.554 -6.173 -20.454 1.00 37.64 H new ATOM 0 HD2 LYS B 79 17.222 -5.715 -17.772 1.00 39.06 H new ATOM 0 HD3 LYS B 79 16.266 -5.887 -19.230 1.00 39.06 H new ATOM 0 HE2 LYS B 79 18.394 -7.942 -18.769 1.00 38.27 H new ATOM 0 HE3 LYS B 79 17.012 -7.988 -17.693 1.00 38.27 H new ATOM 0 HZ1 LYS B 79 16.664 -9.380 -19.628 1.00 40.25 H new ATOM 0 HZ2 LYS B 79 15.547 -8.101 -19.626 1.00 40.25 H new ATOM 0 HZ3 LYS B 79 16.887 -8.057 -20.668 1.00 40.25 H new ATOM 1103 N ALA C 55 26.937 13.029 18.813 1.00 35.14 N ATOM 1104 CA ALA C 55 26.495 11.751 18.276 1.00 33.97 C ATOM 1105 C ALA C 55 25.722 11.945 16.977 1.00 31.39 C ATOM 1106 O ALA C 55 25.822 11.136 16.055 1.00 30.27 O ATOM 1107 CB ALA C 55 25.643 11.013 19.297 1.00 34.65 C ATOM 0 HA ALA C 55 27.378 11.150 18.059 1.00 33.97 H new ATOM 0 HB1 ALA C 55 25.320 10.059 18.880 1.00 34.65 H new ATOM 0 HB2 ALA C 55 26.228 10.835 20.199 1.00 34.65 H new ATOM 0 HB3 ALA C 55 24.769 11.615 19.545 1.00 34.65 H new ATOM 1113 N GLU C 56 24.953 13.029 16.909 1.00 30.47 N ATOM 1114 CA GLU C 56 24.168 13.334 15.719 1.00 28.05 C ATOM 1115 C GLU C 56 25.079 13.749 14.571 1.00 27.59 C ATOM 1116 O GLU C 56 25.043 13.160 13.490 1.00 27.38 O ATOM 1117 CB GLU C 56 23.159 14.445 16.014 1.00 27.40 C ATOM 1118 CG GLU C 56 22.036 14.533 14.993 1.00 26.22 C ATOM 1119 CD GLU C 56 21.491 15.940 14.846 1.00 25.18 C ATOM 1120 OE1 GLU C 56 22.290 16.861 14.572 1.00 26.16 O ATOM 1121 OE2 GLU C 56 20.265 16.121 15.004 1.00 23.55 O ATOM 0 H GLU C 56 24.858 13.709 17.663 1.00 30.47 H new ATOM 0 HA GLU C 56 23.625 12.435 15.428 1.00 28.05 H new ATOM 0 HB2 GLU C 56 22.729 14.281 17.002 1.00 27.40 H new ATOM 0 HB3 GLU C 56 23.683 15.400 16.049 1.00 27.40 H new ATOM 0 HG2 GLU C 56 22.401 14.186 14.026 1.00 26.22 H new ATOM 0 HG3 GLU C 56 21.228 13.863 15.288 1.00 26.22 H new ATOM 1128 N ARG C 57 25.899 14.762 14.820 1.00 27.64 N ATOM 1129 CA ARG C 57 26.831 15.255 13.813 1.00 27.53 C ATOM 1130 C ARG C 57 27.806 14.157 13.411 1.00 26.02 C ATOM 1131 O ARG C 57 28.102 13.973 12.230 1.00 25.43 O ATOM 1132 CB ARG C 57 27.599 16.467 14.345 1.00 29.31 C ATOM 1133 CG ARG C 57 27.303 17.755 13.594 1.00 30.31 C ATOM 1134 CD ARG C 57 28.397 18.079 12.590 1.00 31.41 C ATOM 1135 NE ARG C 57 29.601 18.590 13.238 1.00 34.07 N ATOM 1136 CZ ARG C 57 30.596 19.181 12.585 1.00 35.15 C ATOM 1137 NH1 ARG C 57 30.530 19.334 11.270 1.00 33.81 N ATOM 1138 NH2 ARG C 57 31.658 19.622 13.246 1.00 37.60 N ATOM 0 H ARG C 57 25.938 15.258 15.710 1.00 27.64 H new ATOM 0 HA ARG C 57 26.261 15.558 12.935 1.00 27.53 H new ATOM 0 HB2 ARG C 57 27.356 16.607 15.398 1.00 29.31 H new ATOM 0 HB3 ARG C 57 28.668 16.262 14.289 1.00 29.31 H new ATOM 0 HG2 ARG C 57 26.348 17.664 13.076 1.00 30.31 H new ATOM 0 HG3 ARG C 57 27.204 18.577 14.304 1.00 30.31 H new ATOM 0 HD2 ARG C 57 28.644 17.182 12.021 1.00 31.41 H new ATOM 0 HD3 ARG C 57 28.028 18.817 11.877 1.00 31.41 H new ATOM 0 HE ARG C 57 29.683 18.488 14.250 1.00 34.07 H new ATOM 0 HH11 ARG C 57 29.715 18.998 10.758 1.00 33.81 H new ATOM 0 HH12 ARG C 57 31.295 19.788 10.770 1.00 33.81 H new ATOM 0 HH21 ARG C 57 31.712 19.508 14.258 1.00 37.60 H new ATOM 0 HH22 ARG C 57 32.420 20.075 12.742 1.00 37.60 H new ATOM 1152 N LEU C 58 28.295 13.427 14.407 1.00 25.63 N ATOM 1153 CA LEU C 58 29.233 12.339 14.168 1.00 24.34 C ATOM 1154 C LEU C 58 28.630 11.305 13.221 1.00 22.49 C ATOM 1155 O LEU C 58 29.254 10.913 12.236 1.00 22.87 O ATOM 1156 CB LEU C 58 29.621 11.673 15.489 1.00 24.05 C ATOM 1157 CG LEU C 58 30.696 12.409 16.290 1.00 26.05 C ATOM 1158 CD1 LEU C 58 31.107 11.594 17.506 1.00 26.05 C ATOM 1159 CD2 LEU C 58 31.901 12.706 15.413 1.00 26.51 C ATOM 0 H LEU C 58 28.056 13.570 15.388 1.00 25.63 H new ATOM 0 HA LEU C 58 30.127 12.755 13.704 1.00 24.34 H new ATOM 0 HB2 LEU C 58 28.728 11.579 16.107 1.00 24.05 H new ATOM 0 HB3 LEU C 58 29.972 10.662 15.280 1.00 24.05 H new ATOM 0 HG LEU C 58 30.281 13.355 16.637 1.00 26.05 H new ATOM 0 HD11 LEU C 58 31.873 12.133 18.064 1.00 26.05 H new ATOM 0 HD12 LEU C 58 30.239 11.431 18.145 1.00 26.05 H new ATOM 0 HD13 LEU C 58 31.504 10.632 17.182 1.00 26.05 H new ATOM 0 HD21 LEU C 58 32.657 13.230 15.998 1.00 26.51 H new ATOM 0 HD22 LEU C 58 32.317 11.771 15.037 1.00 26.51 H new ATOM 0 HD23 LEU C 58 31.595 13.330 14.573 1.00 26.51 H new ATOM 1171 N ALA C 59 27.410 10.870 13.527 1.00 20.55 N ATOM 1172 CA ALA C 59 26.723 9.884 12.702 1.00 18.79 C ATOM 1173 C ALA C 59 26.746 10.293 11.234 1.00 19.27 C ATOM 1174 O ALA C 59 26.859 9.450 10.345 1.00 19.83 O ATOM 1175 CB ALA C 59 25.290 9.699 13.179 1.00 17.58 C ATOM 0 H ALA C 59 26.879 11.185 14.339 1.00 20.55 H new ATOM 0 HA ALA C 59 27.249 8.934 12.799 1.00 18.79 H new ATOM 0 HB1 ALA C 59 24.791 8.960 12.553 1.00 17.58 H new ATOM 0 HB2 ALA C 59 25.292 9.356 14.214 1.00 17.58 H new ATOM 0 HB3 ALA C 59 24.759 10.649 13.113 1.00 17.58 H new ATOM 1181 N ASP C 60 26.644 11.595 10.987 1.00 19.13 N ATOM 1182 CA ASP C 60 26.660 12.115 9.626 1.00 19.53 C ATOM 1183 C ASP C 60 28.056 11.997 9.026 1.00 20.18 C ATOM 1184 O ASP C 60 28.211 11.801 7.821 1.00 20.12 O ATOM 1185 CB ASP C 60 26.203 13.575 9.606 1.00 19.37 C ATOM 1186 CG ASP C 60 25.397 13.913 8.370 1.00 18.23 C ATOM 1187 OD1 ASP C 60 25.975 13.905 7.263 1.00 17.25 O ATOM 1188 OD2 ASP C 60 24.185 14.186 8.507 1.00 18.51 O ATOM 0 H ASP C 60 26.550 12.308 11.711 1.00 19.13 H new ATOM 0 HA ASP C 60 25.970 11.523 9.025 1.00 19.53 H new ATOM 0 HB2 ASP C 60 25.603 13.777 10.493 1.00 19.37 H new ATOM 0 HB3 ASP C 60 27.076 14.226 9.656 1.00 19.37 H new ATOM 1193 N GLU C 61 29.070 12.114 9.878 1.00 20.83 N ATOM 1194 CA GLU C 61 30.456 12.016 9.436 1.00 21.49 C ATOM 1195 C GLU C 61 30.805 10.575 9.082 1.00 21.55 C ATOM 1196 O GLU C 61 31.461 10.312 8.075 1.00 22.24 O ATOM 1197 CB GLU C 61 31.401 12.532 10.522 1.00 21.57 C ATOM 1198 CG GLU C 61 32.292 13.674 10.061 1.00 21.40 C ATOM 1199 CD GLU C 61 33.042 14.327 11.206 1.00 21.50 C ATOM 1200 OE1 GLU C 61 34.160 13.866 11.522 1.00 22.29 O ATOM 1201 OE2 GLU C 61 32.512 15.297 11.785 1.00 20.91 O ATOM 0 H GLU C 61 28.957 12.277 10.879 1.00 20.83 H new ATOM 0 HA GLU C 61 30.574 12.633 8.545 1.00 21.49 H new ATOM 0 HB2 GLU C 61 30.812 12.864 11.377 1.00 21.57 H new ATOM 0 HB3 GLU C 61 32.028 11.710 10.867 1.00 21.57 H new ATOM 0 HG2 GLU C 61 33.008 13.299 9.330 1.00 21.40 H new ATOM 0 HG3 GLU C 61 31.683 14.424 9.556 1.00 21.40 H new ATOM 1208 N GLN C 62 30.356 9.646 9.918 1.00 20.83 N ATOM 1209 CA GLN C 62 30.614 8.229 9.695 1.00 20.81 C ATOM 1210 C GLN C 62 29.969 7.767 8.394 1.00 18.96 C ATOM 1211 O GLN C 62 30.611 7.127 7.563 1.00 19.67 O ATOM 1212 CB GLN C 62 30.083 7.399 10.865 1.00 20.53 C ATOM 1213 CG GLN C 62 30.523 7.914 12.224 1.00 23.23 C ATOM 1214 CD GLN C 62 32.030 7.926 12.383 1.00 24.14 C ATOM 1215 OE1 GLN C 62 32.757 7.373 11.558 1.00 24.33 O ATOM 1216 NE2 GLN C 62 32.508 8.559 13.448 1.00 24.77 N ATOM 0 H GLN C 62 29.812 9.849 10.756 1.00 20.83 H new ATOM 0 HA GLN C 62 31.692 8.085 9.622 1.00 20.81 H new ATOM 0 HB2 GLN C 62 28.994 7.386 10.826 1.00 20.53 H new ATOM 0 HB3 GLN C 62 30.418 6.368 10.750 1.00 20.53 H new ATOM 0 HG2 GLN C 62 30.138 8.924 12.368 1.00 23.23 H new ATOM 0 HG3 GLN C 62 30.084 7.292 13.004 1.00 23.23 H new ATOM 0 HE21 GLN C 62 31.869 9.004 14.107 1.00 24.77 H new ATOM 0 HE22 GLN C 62 33.515 8.600 13.607 1.00 24.77 H new ATOM 1225 N SER C 63 28.694 8.102 8.222 1.00 16.79 N ATOM 1226 CA SER C 63 27.963 7.727 7.018 1.00 15.12 C ATOM 1227 C SER C 63 28.645 8.297 5.781 1.00 15.10 C ATOM 1228 O SER C 63 28.663 7.669 4.722 1.00 13.39 O ATOM 1229 CB SER C 63 26.519 8.225 7.095 1.00 15.52 C ATOM 1230 OG SER C 63 25.963 7.981 8.375 1.00 16.27 O ATOM 0 H SER C 63 28.147 8.632 8.901 1.00 16.79 H new ATOM 0 HA SER C 63 27.957 6.639 6.945 1.00 15.12 H new ATOM 0 HB2 SER C 63 26.487 9.293 6.879 1.00 15.52 H new ATOM 0 HB3 SER C 63 25.918 7.728 6.333 1.00 15.52 H new ATOM 0 HG SER C 63 26.044 8.787 8.926 1.00 16.27 H new ATOM 1236 N GLU C 64 29.212 9.492 5.924 1.00 17.28 N ATOM 1237 CA GLU C 64 29.903 10.146 4.820 1.00 17.90 C ATOM 1238 C GLU C 64 31.059 9.285 4.326 1.00 16.85 C ATOM 1239 O GLU C 64 31.211 9.061 3.125 1.00 16.83 O ATOM 1240 CB GLU C 64 30.421 11.518 5.256 1.00 20.69 C ATOM 1241 CG GLU C 64 29.925 12.660 4.383 1.00 21.90 C ATOM 1242 CD GLU C 64 30.951 13.097 3.357 1.00 23.99 C ATOM 1243 OE1 GLU C 64 31.024 12.465 2.283 1.00 24.46 O ATOM 1244 OE2 GLU C 64 31.684 14.072 3.628 1.00 25.31 O ATOM 0 H GLU C 64 29.206 10.026 6.793 1.00 17.28 H new ATOM 0 HA GLU C 64 29.194 10.279 4.003 1.00 17.90 H new ATOM 0 HB2 GLU C 64 30.118 11.701 6.287 1.00 20.69 H new ATOM 0 HB3 GLU C 64 31.511 11.507 5.242 1.00 20.69 H new ATOM 0 HG2 GLU C 64 29.013 12.352 3.871 1.00 21.90 H new ATOM 0 HG3 GLU C 64 29.664 13.509 5.015 1.00 21.90 H new ATOM 1251 N LEU C 65 31.868 8.800 5.261 1.00 16.03 N ATOM 1252 CA LEU C 65 33.006 7.955 4.920 1.00 15.07 C ATOM 1253 C LEU C 65 32.542 6.726 4.148 1.00 14.01 C ATOM 1254 O LEU C 65 33.188 6.299 3.191 1.00 14.26 O ATOM 1255 CB LEU C 65 33.753 7.529 6.186 1.00 15.23 C ATOM 1256 CG LEU C 65 34.256 8.681 7.059 1.00 15.68 C ATOM 1257 CD1 LEU C 65 34.074 8.351 8.533 1.00 14.26 C ATOM 1258 CD2 LEU C 65 35.716 8.979 6.755 1.00 17.61 C ATOM 0 H LEU C 65 31.757 8.977 6.259 1.00 16.03 H new ATOM 0 HA LEU C 65 33.685 8.529 4.290 1.00 15.07 H new ATOM 0 HB2 LEU C 65 33.094 6.901 6.785 1.00 15.23 H new ATOM 0 HB3 LEU C 65 34.605 6.913 5.897 1.00 15.23 H new ATOM 0 HG LEU C 65 33.668 9.570 6.831 1.00 15.68 H new ATOM 0 HD11 LEU C 65 34.437 9.181 9.139 1.00 14.26 H new ATOM 0 HD12 LEU C 65 33.017 8.185 8.741 1.00 14.26 H new ATOM 0 HD13 LEU C 65 34.638 7.450 8.776 1.00 14.26 H new ATOM 0 HD21 LEU C 65 36.058 9.801 7.384 1.00 17.61 H new ATOM 0 HD22 LEU C 65 36.318 8.093 6.956 1.00 17.61 H new ATOM 0 HD23 LEU C 65 35.820 9.258 5.706 1.00 17.61 H new ATOM 1270 N VAL C 66 31.412 6.165 4.569 1.00 13.14 N ATOM 1271 CA VAL C 66 30.854 4.991 3.917 1.00 12.23 C ATOM 1272 C VAL C 66 30.290 5.348 2.546 1.00 10.46 C ATOM 1273 O VAL C 66 30.621 4.716 1.543 1.00 10.19 O ATOM 1274 CB VAL C 66 29.740 4.349 4.766 1.00 12.93 C ATOM 1275 CG1 VAL C 66 29.207 3.097 4.088 1.00 12.12 C ATOM 1276 CG2 VAL C 66 30.251 4.031 6.163 1.00 14.90 C ATOM 0 H VAL C 66 30.866 6.507 5.360 1.00 13.14 H new ATOM 0 HA VAL C 66 31.667 4.274 3.802 1.00 12.23 H new ATOM 0 HB VAL C 66 28.920 5.062 4.857 1.00 12.93 H new ATOM 0 HG11 VAL C 66 28.421 2.657 4.702 1.00 12.12 H new ATOM 0 HG12 VAL C 66 28.801 3.357 3.111 1.00 12.12 H new ATOM 0 HG13 VAL C 66 30.016 2.377 3.965 1.00 12.12 H new ATOM 0 HG21 VAL C 66 29.451 3.578 6.749 1.00 14.90 H new ATOM 0 HG22 VAL C 66 31.088 3.337 6.095 1.00 14.90 H new ATOM 0 HG23 VAL C 66 30.580 4.950 6.648 1.00 14.90 H new ATOM 1286 N LYS C 67 29.440 6.371 2.511 1.00 9.72 N ATOM 1287 CA LYS C 67 28.838 6.817 1.260 1.00 8.10 C ATOM 1288 C LYS C 67 29.917 7.186 0.251 1.00 7.65 C ATOM 1289 O LYS C 67 29.856 6.789 -0.913 1.00 7.23 O ATOM 1290 CB LYS C 67 27.920 8.016 1.507 1.00 9.21 C ATOM 1291 CG LYS C 67 27.290 8.569 0.239 1.00 10.04 C ATOM 1292 CD LYS C 67 27.097 10.074 0.323 1.00 11.13 C ATOM 1293 CE LYS C 67 26.756 10.667 -1.035 1.00 11.26 C ATOM 1294 NZ LYS C 67 27.581 11.868 -1.340 1.00 11.32 N ATOM 0 H LYS C 67 29.154 6.904 3.332 1.00 9.72 H new ATOM 0 HA LYS C 67 28.245 5.998 0.854 1.00 8.10 H new ATOM 0 HB2 LYS C 67 27.130 7.722 2.198 1.00 9.21 H new ATOM 0 HB3 LYS C 67 28.491 8.806 1.994 1.00 9.21 H new ATOM 0 HG2 LYS C 67 27.921 8.329 -0.617 1.00 10.04 H new ATOM 0 HG3 LYS C 67 26.327 8.087 0.070 1.00 10.04 H new ATOM 0 HD2 LYS C 67 26.300 10.301 1.031 1.00 11.13 H new ATOM 0 HD3 LYS C 67 28.006 10.538 0.706 1.00 11.13 H new ATOM 0 HE2 LYS C 67 26.910 9.915 -1.809 1.00 11.26 H new ATOM 0 HE3 LYS C 67 25.700 10.937 -1.059 1.00 11.26 H new ATOM 0 HZ1 LYS C 67 27.318 12.242 -2.274 1.00 11.32 H new ATOM 0 HZ2 LYS C 67 27.415 12.596 -0.616 1.00 11.32 H new ATOM 0 HZ3 LYS C 67 28.587 11.606 -1.343 1.00 11.32 H new ATOM 1308 N LYS C 68 30.913 7.939 0.707 1.00 8.37 N ATOM 1309 CA LYS C 68 32.013 8.351 -0.154 1.00 8.84 C ATOM 1310 C LYS C 68 32.821 7.135 -0.590 1.00 9.02 C ATOM 1311 O LYS C 68 33.248 7.037 -1.741 1.00 10.79 O ATOM 1312 CB LYS C 68 32.918 9.348 0.573 1.00 10.96 C ATOM 1313 CG LYS C 68 33.641 10.304 -0.360 1.00 12.01 C ATOM 1314 CD LYS C 68 35.002 10.696 0.191 1.00 11.80 C ATOM 1315 CE LYS C 68 34.875 11.413 1.525 1.00 11.62 C ATOM 1316 NZ LYS C 68 36.193 11.892 2.025 1.00 12.28 N ATOM 0 H LYS C 68 30.980 8.276 1.668 1.00 8.37 H new ATOM 0 HA LYS C 68 31.598 8.837 -1.037 1.00 8.84 H new ATOM 0 HB2 LYS C 68 32.318 9.925 1.277 1.00 10.96 H new ATOM 0 HB3 LYS C 68 33.655 8.798 1.158 1.00 10.96 H new ATOM 0 HG2 LYS C 68 33.763 9.837 -1.337 1.00 12.01 H new ATOM 0 HG3 LYS C 68 33.035 11.198 -0.507 1.00 12.01 H new ATOM 0 HD2 LYS C 68 35.617 9.805 0.313 1.00 11.80 H new ATOM 0 HD3 LYS C 68 35.513 11.341 -0.523 1.00 11.80 H new ATOM 0 HE2 LYS C 68 34.197 12.260 1.419 1.00 11.62 H new ATOM 0 HE3 LYS C 68 34.431 10.740 2.258 1.00 11.62 H new ATOM 0 HZ1 LYS C 68 36.064 12.375 2.937 1.00 12.28 H new ATOM 0 HZ2 LYS C 68 36.832 11.081 2.151 1.00 12.28 H new ATOM 0 HZ3 LYS C 68 36.605 12.554 1.337 1.00 12.28 H new ATOM 1330 N MET C 69 33.016 6.205 0.339 1.00 7.53 N ATOM 1331 CA MET C 69 33.760 4.985 0.060 1.00 7.76 C ATOM 1332 C MET C 69 33.033 4.149 -0.991 1.00 6.33 C ATOM 1333 O MET C 69 33.659 3.532 -1.851 1.00 6.09 O ATOM 1334 CB MET C 69 33.951 4.180 1.352 1.00 8.23 C ATOM 1335 CG MET C 69 34.403 2.744 1.130 1.00 7.54 C ATOM 1336 SD MET C 69 33.027 1.580 1.129 1.00 7.13 S ATOM 1337 CE MET C 69 32.998 1.086 2.850 1.00 7.64 C ATOM 0 H MET C 69 32.667 6.275 1.295 1.00 7.53 H new ATOM 0 HA MET C 69 34.741 5.251 -0.333 1.00 7.76 H new ATOM 0 HB2 MET C 69 34.685 4.688 1.978 1.00 8.23 H new ATOM 0 HB3 MET C 69 33.011 4.172 1.904 1.00 8.23 H new ATOM 0 HG2 MET C 69 34.933 2.676 0.180 1.00 7.54 H new ATOM 0 HG3 MET C 69 35.111 2.464 1.910 1.00 7.54 H new ATOM 0 HE1 MET C 69 33.397 0.076 2.945 1.00 7.64 H new ATOM 0 HE2 MET C 69 33.607 1.774 3.436 1.00 7.64 H new ATOM 0 HE3 MET C 69 31.972 1.106 3.217 1.00 7.64 H new ATOM 1347 N VAL C 70 31.706 4.140 -0.913 1.00 6.15 N ATOM 1348 CA VAL C 70 30.889 3.390 -1.854 1.00 6.66 C ATOM 1349 C VAL C 70 30.881 4.066 -3.221 1.00 6.93 C ATOM 1350 O VAL C 70 30.907 3.396 -4.253 1.00 6.71 O ATOM 1351 CB VAL C 70 29.440 3.236 -1.339 1.00 7.32 C ATOM 1352 CG1 VAL C 70 28.533 2.621 -2.398 1.00 9.03 C ATOM 1353 CG2 VAL C 70 29.421 2.397 -0.074 1.00 5.48 C ATOM 0 H VAL C 70 31.174 4.646 -0.205 1.00 6.15 H new ATOM 0 HA VAL C 70 31.329 2.398 -1.951 1.00 6.66 H new ATOM 0 HB VAL C 70 29.057 4.231 -1.113 1.00 7.32 H new ATOM 0 HG11 VAL C 70 27.522 2.528 -2.001 1.00 9.03 H new ATOM 0 HG12 VAL C 70 28.519 3.260 -3.281 1.00 9.03 H new ATOM 0 HG13 VAL C 70 28.909 1.635 -2.670 1.00 9.03 H new ATOM 0 HG21 VAL C 70 28.395 2.295 0.280 1.00 5.48 H new ATOM 0 HG22 VAL C 70 29.831 1.410 -0.286 1.00 5.48 H new ATOM 0 HG23 VAL C 70 30.023 2.883 0.694 1.00 5.48 H new ATOM 1363 N PHE C 71 30.849 5.394 -3.225 1.00 7.80 N ATOM 1364 CA PHE C 71 30.841 6.144 -4.473 1.00 8.35 C ATOM 1365 C PHE C 71 32.022 5.736 -5.347 1.00 8.97 C ATOM 1366 O PHE C 71 31.843 5.312 -6.488 1.00 9.08 O ATOM 1367 CB PHE C 71 30.888 7.650 -4.205 1.00 8.81 C ATOM 1368 CG PHE C 71 31.037 8.467 -5.457 1.00 9.52 C ATOM 1369 CD1 PHE C 71 30.336 8.116 -6.619 1.00 9.53 C ATOM 1370 CD2 PHE C 71 31.884 9.583 -5.489 1.00 10.66 C ATOM 1371 CE1 PHE C 71 30.478 8.863 -7.792 1.00 10.46 C ATOM 1372 CE2 PHE C 71 32.028 10.336 -6.659 1.00 11.77 C ATOM 1373 CZ PHE C 71 31.324 9.974 -7.811 1.00 11.60 C ATOM 0 H PHE C 71 30.828 5.969 -2.383 1.00 7.80 H new ATOM 0 HA PHE C 71 29.914 5.914 -4.998 1.00 8.35 H new ATOM 0 HB2 PHE C 71 29.976 7.950 -3.689 1.00 8.81 H new ATOM 0 HB3 PHE C 71 31.720 7.868 -3.535 1.00 8.81 H new ATOM 0 HD1 PHE C 71 29.679 7.259 -6.608 1.00 9.53 H new ATOM 0 HD2 PHE C 71 32.431 9.865 -4.601 1.00 10.66 H new ATOM 0 HE1 PHE C 71 29.935 8.582 -8.682 1.00 10.46 H new ATOM 0 HE2 PHE C 71 32.682 11.195 -6.672 1.00 11.77 H new ATOM 0 HZ PHE C 71 31.434 10.553 -8.716 1.00 11.60 H new ATOM 1383 N ASP C 72 33.229 5.867 -4.804 1.00 9.42 N ATOM 1384 CA ASP C 72 34.436 5.508 -5.537 1.00 10.09 C ATOM 1385 C ASP C 72 34.342 4.080 -6.059 1.00 10.27 C ATOM 1386 O ASP C 72 34.665 3.809 -7.216 1.00 11.47 O ATOM 1387 CB ASP C 72 35.668 5.660 -4.643 1.00 10.29 C ATOM 1388 CG ASP C 72 36.119 7.102 -4.519 1.00 10.39 C ATOM 1389 OD1 ASP C 72 35.604 7.810 -3.628 1.00 8.97 O ATOM 1390 OD2 ASP C 72 36.986 7.524 -5.313 1.00 11.94 O ATOM 0 H ASP C 72 33.396 6.218 -3.861 1.00 9.42 H new ATOM 0 HA ASP C 72 34.533 6.183 -6.387 1.00 10.09 H new ATOM 0 HB2 ASP C 72 35.445 5.266 -3.652 1.00 10.29 H new ATOM 0 HB3 ASP C 72 36.483 5.061 -5.048 1.00 10.29 H new ATOM 1395 N THR C 73 33.892 3.170 -5.201 1.00 9.42 N ATOM 1396 CA THR C 73 33.747 1.772 -5.580 1.00 9.46 C ATOM 1397 C THR C 73 32.673 1.620 -6.652 1.00 10.76 C ATOM 1398 O THR C 73 32.968 1.273 -7.795 1.00 12.23 O ATOM 1399 CB THR C 73 33.402 0.919 -4.352 1.00 7.34 C ATOM 1400 OG1 THR C 73 34.517 0.819 -3.485 1.00 6.66 O ATOM 1401 CG2 THR C 73 32.958 -0.491 -4.691 1.00 5.82 C ATOM 0 H THR C 73 33.622 3.377 -4.239 1.00 9.42 H new ATOM 0 HA THR C 73 34.695 1.424 -5.989 1.00 9.46 H new ATOM 0 HB THR C 73 32.568 1.434 -3.875 1.00 7.34 H new ATOM 0 HG1 THR C 73 34.504 1.564 -2.848 1.00 6.66 H new ATOM 0 HG21 THR C 73 32.732 -1.032 -3.772 1.00 5.82 H new ATOM 0 HG22 THR C 73 32.067 -0.451 -5.317 1.00 5.82 H new ATOM 0 HG23 THR C 73 33.756 -1.005 -5.227 1.00 5.82 H new ATOM 1409 N LEU C 74 31.425 1.886 -6.277 1.00 10.56 N ATOM 1410 CA LEU C 74 30.313 1.778 -7.214 1.00 12.22 C ATOM 1411 C LEU C 74 30.607 2.551 -8.494 1.00 12.45 C ATOM 1412 O LEU C 74 30.247 2.119 -9.589 1.00 13.15 O ATOM 1413 CB LEU C 74 29.023 2.292 -6.572 1.00 12.86 C ATOM 1414 CG LEU C 74 28.454 1.407 -5.458 1.00 11.57 C ATOM 1415 CD1 LEU C 74 26.998 1.753 -5.200 1.00 13.90 C ATOM 1416 CD2 LEU C 74 28.597 -0.068 -5.811 1.00 9.94 C ATOM 0 H LEU C 74 31.160 2.176 -5.336 1.00 10.56 H new ATOM 0 HA LEU C 74 30.184 0.726 -7.469 1.00 12.22 H new ATOM 0 HB2 LEU C 74 29.209 3.286 -6.166 1.00 12.86 H new ATOM 0 HB3 LEU C 74 28.267 2.402 -7.350 1.00 12.86 H new ATOM 0 HG LEU C 74 29.023 1.595 -4.548 1.00 11.57 H new ATOM 0 HD11 LEU C 74 26.608 1.116 -4.406 1.00 13.90 H new ATOM 0 HD12 LEU C 74 26.920 2.798 -4.898 1.00 13.90 H new ATOM 0 HD13 LEU C 74 26.419 1.594 -6.110 1.00 13.90 H new ATOM 0 HD21 LEU C 74 28.186 -0.676 -5.005 1.00 9.94 H new ATOM 0 HD22 LEU C 74 28.056 -0.275 -6.734 1.00 9.94 H new ATOM 0 HD23 LEU C 74 29.651 -0.309 -5.946 1.00 9.94 H new ATOM 1428 N LYS C 75 31.276 3.689 -8.351 1.00 11.88 N ATOM 1429 CA LYS C 75 31.633 4.512 -9.498 1.00 12.03 C ATOM 1430 C LYS C 75 32.400 3.685 -10.520 1.00 12.58 C ATOM 1431 O LYS C 75 31.899 3.390 -11.605 1.00 13.53 O ATOM 1432 CB LYS C 75 32.484 5.706 -9.055 1.00 10.17 C ATOM 1433 CG LYS C 75 33.054 6.513 -10.211 1.00 10.54 C ATOM 1434 CD LYS C 75 32.936 8.008 -9.960 1.00 10.02 C ATOM 1435 CE LYS C 75 34.298 8.682 -9.942 1.00 9.01 C ATOM 1436 NZ LYS C 75 35.018 8.514 -11.234 1.00 9.24 N ATOM 0 H LYS C 75 31.582 4.062 -7.452 1.00 11.88 H new ATOM 0 HA LYS C 75 30.715 4.883 -9.955 1.00 12.03 H new ATOM 0 HB2 LYS C 75 31.877 6.361 -8.430 1.00 10.17 H new ATOM 0 HB3 LYS C 75 33.305 5.346 -8.435 1.00 10.17 H new ATOM 0 HG2 LYS C 75 34.101 6.249 -10.358 1.00 10.54 H new ATOM 0 HG3 LYS C 75 32.528 6.255 -11.130 1.00 10.54 H new ATOM 0 HD2 LYS C 75 32.316 8.460 -10.735 1.00 10.02 H new ATOM 0 HD3 LYS C 75 32.432 8.179 -9.009 1.00 10.02 H new ATOM 0 HE2 LYS C 75 34.175 9.744 -9.731 1.00 9.01 H new ATOM 0 HE3 LYS C 75 34.899 8.264 -9.134 1.00 9.01 H new ATOM 0 HZ1 LYS C 75 35.676 9.308 -11.371 1.00 9.24 H new ATOM 0 HZ2 LYS C 75 35.551 7.621 -11.221 1.00 9.24 H new ATOM 0 HZ3 LYS C 75 34.331 8.495 -12.014 1.00 9.24 H new ATOM 1450 N ASP C 76 33.619 3.309 -10.156 1.00 12.38 N ATOM 1451 CA ASP C 76 34.467 2.508 -11.028 1.00 13.48 C ATOM 1452 C ASP C 76 33.830 1.150 -11.311 1.00 15.31 C ATOM 1453 O ASP C 76 34.006 0.585 -12.390 1.00 16.94 O ATOM 1454 CB ASP C 76 35.848 2.315 -10.396 1.00 12.78 C ATOM 1455 CG ASP C 76 36.796 3.451 -10.723 1.00 13.84 C ATOM 1456 OD1 ASP C 76 36.311 4.570 -10.995 1.00 14.24 O ATOM 1457 OD2 ASP C 76 38.024 3.223 -10.705 1.00 14.68 O ATOM 0 H ASP C 76 34.043 3.547 -9.260 1.00 12.38 H new ATOM 0 HA ASP C 76 34.578 3.040 -11.973 1.00 13.48 H new ATOM 0 HB2 ASP C 76 35.742 2.234 -9.314 1.00 12.78 H new ATOM 0 HB3 ASP C 76 36.277 1.376 -10.745 1.00 12.78 H new ATOM 1462 N LEU C 77 33.087 0.629 -10.337 1.00 15.19 N ATOM 1463 CA LEU C 77 32.426 -0.661 -10.490 1.00 16.95 C ATOM 1464 C LEU C 77 31.418 -0.609 -11.634 1.00 19.20 C ATOM 1465 O LEU C 77 31.452 -1.439 -12.542 1.00 21.06 O ATOM 1466 CB LEU C 77 31.742 -1.060 -9.175 1.00 16.33 C ATOM 1467 CG LEU C 77 30.618 -2.098 -9.287 1.00 16.38 C ATOM 1468 CD1 LEU C 77 30.968 -3.172 -10.306 1.00 15.50 C ATOM 1469 CD2 LEU C 77 30.337 -2.724 -7.929 1.00 16.92 C ATOM 0 H LEU C 77 32.929 1.081 -9.436 1.00 15.19 H new ATOM 0 HA LEU C 77 33.174 -1.416 -10.733 1.00 16.95 H new ATOM 0 HB2 LEU C 77 32.502 -1.449 -8.497 1.00 16.33 H new ATOM 0 HB3 LEU C 77 31.334 -0.161 -8.714 1.00 16.33 H new ATOM 0 HG LEU C 77 29.718 -1.588 -9.629 1.00 16.38 H new ATOM 0 HD11 LEU C 77 30.155 -3.895 -10.366 1.00 15.50 H new ATOM 0 HD12 LEU C 77 31.117 -2.712 -11.283 1.00 15.50 H new ATOM 0 HD13 LEU C 77 31.883 -3.679 -10.000 1.00 15.50 H new ATOM 0 HD21 LEU C 77 29.537 -3.458 -8.025 1.00 16.92 H new ATOM 0 HD22 LEU C 77 31.238 -3.215 -7.561 1.00 16.92 H new ATOM 0 HD23 LEU C 77 30.034 -1.948 -7.226 1.00 16.92 H new ATOM 1481 N TYR C 78 30.529 0.376 -11.591 1.00 19.14 N ATOM 1482 CA TYR C 78 29.523 0.536 -12.632 1.00 21.29 C ATOM 1483 C TYR C 78 30.178 0.885 -13.966 1.00 22.30 C ATOM 1484 O TYR C 78 29.582 0.704 -15.027 1.00 22.94 O ATOM 1485 CB TYR C 78 28.517 1.618 -12.238 1.00 22.83 C ATOM 1486 CG TYR C 78 27.687 1.254 -11.026 1.00 22.85 C ATOM 1487 CD1 TYR C 78 27.291 -0.076 -10.799 1.00 23.22 C ATOM 1488 CD2 TYR C 78 27.295 2.234 -10.098 1.00 22.75 C ATOM 1489 CE1 TYR C 78 26.526 -0.418 -9.681 1.00 23.75 C ATOM 1490 CE2 TYR C 78 26.531 1.899 -8.977 1.00 23.06 C ATOM 1491 CZ TYR C 78 26.149 0.571 -8.774 1.00 23.68 C ATOM 1492 OH TYR C 78 25.397 0.235 -7.672 1.00 24.45 O ATOM 0 H TYR C 78 30.485 1.074 -10.848 1.00 19.14 H new ATOM 0 HA TYR C 78 28.994 -0.410 -12.745 1.00 21.29 H new ATOM 0 HB2 TYR C 78 29.053 2.546 -12.037 1.00 22.83 H new ATOM 0 HB3 TYR C 78 27.852 1.810 -13.080 1.00 22.83 H new ATOM 0 HD1 TYR C 78 27.583 -0.845 -11.499 1.00 23.22 H new ATOM 0 HD2 TYR C 78 27.589 3.262 -10.254 1.00 22.75 H new ATOM 0 HE1 TYR C 78 26.228 -1.444 -9.520 1.00 23.75 H new ATOM 0 HE2 TYR C 78 26.238 2.662 -8.272 1.00 23.06 H new ATOM 0 HH TYR C 78 24.534 -0.128 -7.963 1.00 24.45 H new ATOM 1502 N LYS C 79 31.413 1.378 -13.906 1.00 22.52 N ATOM 1503 CA LYS C 79 32.149 1.741 -15.109 1.00 23.60 C ATOM 1504 C LYS C 79 32.639 0.493 -15.836 1.00 23.42 C ATOM 1505 O LYS C 79 32.820 0.502 -17.054 1.00 23.15 O ATOM 1506 CB LYS C 79 33.337 2.639 -14.754 1.00 22.44 C ATOM 1507 CG LYS C 79 33.911 3.391 -15.944 1.00 24.18 C ATOM 1508 CD LYS C 79 35.061 4.293 -15.529 1.00 24.45 C ATOM 1509 CE LYS C 79 34.598 5.726 -15.318 1.00 25.09 C ATOM 1510 NZ LYS C 79 34.933 6.594 -16.479 1.00 26.93 N ATOM 0 H LYS C 79 31.923 1.534 -13.036 1.00 22.52 H new ATOM 0 HA LYS C 79 31.476 2.288 -15.770 1.00 23.60 H new ATOM 0 HB2 LYS C 79 33.024 3.358 -13.997 1.00 22.44 H new ATOM 0 HB3 LYS C 79 34.122 2.029 -14.308 1.00 22.44 H new ATOM 0 HG2 LYS C 79 34.257 2.679 -16.693 1.00 24.18 H new ATOM 0 HG3 LYS C 79 33.128 3.989 -16.410 1.00 24.18 H new ATOM 0 HD2 LYS C 79 35.508 3.915 -14.609 1.00 24.45 H new ATOM 0 HD3 LYS C 79 35.837 4.269 -16.294 1.00 24.45 H new ATOM 0 HE2 LYS C 79 33.520 5.739 -15.154 1.00 25.09 H new ATOM 0 HE3 LYS C 79 35.062 6.129 -14.418 1.00 25.09 H new ATOM 0 HZ1 LYS C 79 34.601 7.562 -16.296 1.00 26.93 H new ATOM 0 HZ2 LYS C 79 35.963 6.602 -16.620 1.00 26.93 H new ATOM 0 HZ3 LYS C 79 34.469 6.225 -17.334 1.00 26.93 H new ATOM 1524 N LYS C 80 32.852 -0.582 -15.080 1.00 23.74 N ATOM 1525 CA LYS C 80 33.319 -1.837 -15.651 1.00 23.87 C ATOM 1526 C LYS C 80 32.217 -2.509 -16.465 1.00 26.72 C ATOM 1527 O LYS C 80 32.492 -3.244 -17.413 1.00 27.36 O ATOM 1528 CB LYS C 80 33.798 -2.779 -14.545 1.00 22.72 C ATOM 1529 CG LYS C 80 34.838 -3.786 -15.011 1.00 22.24 C ATOM 1530 CD LYS C 80 34.711 -5.104 -14.265 1.00 23.61 C ATOM 1531 CE LYS C 80 33.516 -5.907 -14.752 1.00 25.71 C ATOM 1532 NZ LYS C 80 32.341 -5.757 -13.849 1.00 27.11 N ATOM 0 H LYS C 80 32.708 -0.606 -14.071 1.00 23.74 H new ATOM 0 HA LYS C 80 34.153 -1.615 -16.316 1.00 23.87 H new ATOM 0 HB2 LYS C 80 34.217 -2.187 -13.731 1.00 22.72 H new ATOM 0 HB3 LYS C 80 32.940 -3.316 -14.140 1.00 22.72 H new ATOM 0 HG2 LYS C 80 34.724 -3.960 -16.081 1.00 22.24 H new ATOM 0 HG3 LYS C 80 35.836 -3.376 -14.860 1.00 22.24 H new ATOM 0 HD2 LYS C 80 35.622 -5.688 -14.398 1.00 23.61 H new ATOM 0 HD3 LYS C 80 34.610 -4.911 -13.197 1.00 23.61 H new ATOM 0 HE2 LYS C 80 33.246 -5.582 -15.757 1.00 25.71 H new ATOM 0 HE3 LYS C 80 33.790 -6.960 -14.820 1.00 25.71 H new ATOM 0 HZ1 LYS C 80 31.945 -6.695 -13.635 1.00 27.11 H new ATOM 0 HZ2 LYS C 80 32.639 -5.297 -12.965 1.00 27.11 H new ATOM 0 HZ3 LYS C 80 31.617 -5.174 -14.315 1.00 27.11 H new ATOM 1546 N THR C 81 30.970 -2.250 -16.086 1.00 28.45 N ATOM 1547 CA THR C 81 29.826 -2.830 -16.780 1.00 31.23 C ATOM 1548 C THR C 81 29.719 -2.288 -18.200 1.00 32.17 C ATOM 1549 O THR C 81 30.124 -2.943 -19.159 1.00 31.64 O ATOM 1550 CB THR C 81 28.535 -2.535 -16.013 1.00 32.58 C ATOM 1551 OG1 THR C 81 28.766 -1.582 -14.991 1.00 30.89 O ATOM 1552 CG2 THR C 81 27.929 -3.762 -15.367 1.00 33.63 C ATOM 0 H THR C 81 30.726 -1.643 -15.303 1.00 28.45 H new ATOM 0 HA THR C 81 29.973 -3.909 -16.831 1.00 31.23 H new ATOM 0 HB THR C 81 27.837 -2.154 -16.758 1.00 32.58 H new ATOM 0 HG1 THR C 81 29.089 -0.747 -15.389 1.00 30.89 H new ATOM 0 HG21 THR C 81 27.017 -3.483 -14.840 1.00 33.63 H new ATOM 0 HG22 THR C 81 27.693 -4.499 -16.135 1.00 33.63 H new ATOM 0 HG23 THR C 81 28.640 -4.190 -14.660 1.00 33.63 H new ATOM 1616 N ASP D 54 26.296 7.022 -17.004 1.00 33.91 N ATOM 1617 CA ASP D 54 25.279 6.377 -16.183 1.00 32.14 C ATOM 1618 C ASP D 54 25.897 5.764 -14.931 1.00 31.08 C ATOM 1619 O ASP D 54 25.316 5.822 -13.847 1.00 30.69 O ATOM 1620 CB ASP D 54 24.554 5.297 -16.988 1.00 33.08 C ATOM 1621 CG ASP D 54 25.503 4.249 -17.534 1.00 33.88 C ATOM 1622 OD1 ASP D 54 25.790 3.273 -16.809 1.00 32.89 O ATOM 1623 OD2 ASP D 54 25.958 4.403 -18.687 1.00 35.65 O ATOM 0 HA ASP D 54 24.560 7.137 -15.876 1.00 32.14 H new ATOM 0 HB2 ASP D 54 23.809 4.814 -16.355 1.00 33.08 H new ATOM 0 HB3 ASP D 54 24.017 5.763 -17.814 1.00 33.08 H new ATOM 1628 N ALA D 55 27.078 5.179 -15.090 1.00 30.70 N ATOM 1629 CA ALA D 55 27.778 4.555 -13.973 1.00 29.77 C ATOM 1630 C ALA D 55 27.960 5.539 -12.824 1.00 28.56 C ATOM 1631 O ALA D 55 28.012 5.146 -11.659 1.00 27.64 O ATOM 1632 CB ALA D 55 29.127 4.018 -14.430 1.00 30.46 C ATOM 0 H ALA D 55 27.571 5.123 -15.981 1.00 30.70 H new ATOM 0 HA ALA D 55 27.172 3.724 -13.613 1.00 29.77 H new ATOM 0 HB1 ALA D 55 29.639 3.555 -13.586 1.00 30.46 H new ATOM 0 HB2 ALA D 55 28.977 3.277 -15.215 1.00 30.46 H new ATOM 0 HB3 ALA D 55 29.733 4.838 -14.817 1.00 30.46 H new ATOM 1638 N GLU D 56 28.051 6.822 -13.160 1.00 28.60 N ATOM 1639 CA GLU D 56 28.224 7.865 -12.156 1.00 27.54 C ATOM 1640 C GLU D 56 26.927 8.102 -11.390 1.00 26.79 C ATOM 1641 O GLU D 56 26.900 8.041 -10.161 1.00 27.38 O ATOM 1642 CB GLU D 56 28.684 9.165 -12.817 1.00 27.99 C ATOM 1643 CG GLU D 56 29.209 10.195 -11.829 1.00 29.33 C ATOM 1644 CD GLU D 56 28.742 11.601 -12.150 1.00 29.53 C ATOM 1645 OE1 GLU D 56 28.222 11.815 -13.266 1.00 30.84 O ATOM 1646 OE2 GLU D 56 28.899 12.490 -11.288 1.00 28.49 O ATOM 0 H GLU D 56 28.008 7.164 -14.120 1.00 28.60 H new ATOM 0 HA GLU D 56 28.986 7.534 -11.451 1.00 27.54 H new ATOM 0 HB2 GLU D 56 29.465 8.938 -13.542 1.00 27.99 H new ATOM 0 HB3 GLU D 56 27.850 9.596 -13.371 1.00 27.99 H new ATOM 0 HG2 GLU D 56 28.883 9.928 -10.824 1.00 29.33 H new ATOM 0 HG3 GLU D 56 30.299 10.169 -11.828 1.00 29.33 H new ATOM 1653 N ARG D 57 25.853 8.373 -12.125 1.00 25.65 N ATOM 1654 CA ARG D 57 24.552 8.618 -11.515 1.00 25.11 C ATOM 1655 C ARG D 57 24.169 7.481 -10.576 1.00 23.26 C ATOM 1656 O ARG D 57 23.673 7.712 -9.474 1.00 23.01 O ATOM 1657 CB ARG D 57 23.482 8.788 -12.594 1.00 25.28 C ATOM 1658 CG ARG D 57 23.420 10.192 -13.173 1.00 25.46 C ATOM 1659 CD ARG D 57 21.986 10.687 -13.285 1.00 25.52 C ATOM 1660 NE ARG D 57 21.407 10.396 -14.594 1.00 26.10 N ATOM 1661 CZ ARG D 57 21.848 10.928 -15.729 1.00 26.64 C ATOM 1662 NH1 ARG D 57 22.865 11.779 -15.714 1.00 26.68 N ATOM 1663 NH2 ARG D 57 21.272 10.610 -16.880 1.00 27.19 N ATOM 0 H ARG D 57 25.859 8.428 -13.143 1.00 25.65 H new ATOM 0 HA ARG D 57 24.619 9.538 -10.934 1.00 25.11 H new ATOM 0 HB2 ARG D 57 23.675 8.080 -13.400 1.00 25.28 H new ATOM 0 HB3 ARG D 57 22.509 8.534 -12.173 1.00 25.28 H new ATOM 0 HG2 ARG D 57 23.992 10.872 -12.542 1.00 25.46 H new ATOM 0 HG3 ARG D 57 23.887 10.201 -14.158 1.00 25.46 H new ATOM 0 HD2 ARG D 57 21.380 10.220 -12.509 1.00 25.52 H new ATOM 0 HD3 ARG D 57 21.959 11.762 -13.107 1.00 25.52 H new ATOM 0 HE ARG D 57 20.620 9.748 -14.639 1.00 26.10 H new ATOM 0 HH11 ARG D 57 23.310 12.026 -14.830 1.00 26.68 H new ATOM 0 HH12 ARG D 57 23.202 12.186 -16.586 1.00 26.68 H new ATOM 0 HH21 ARG D 57 20.489 9.956 -16.895 1.00 27.19 H new ATOM 0 HH22 ARG D 57 21.612 11.019 -17.750 1.00 27.19 H new ATOM 1677 N LEU D 58 24.406 6.252 -11.020 1.00 22.07 N ATOM 1678 CA LEU D 58 24.088 5.077 -10.218 1.00 20.54 C ATOM 1679 C LEU D 58 24.843 5.106 -8.895 1.00 18.69 C ATOM 1680 O LEU D 58 24.239 5.101 -7.822 1.00 16.90 O ATOM 1681 CB LEU D 58 24.431 3.799 -10.986 1.00 21.59 C ATOM 1682 CG LEU D 58 23.529 3.500 -12.185 1.00 21.88 C ATOM 1683 CD1 LEU D 58 24.122 2.388 -13.034 1.00 21.39 C ATOM 1684 CD2 LEU D 58 22.129 3.128 -11.719 1.00 21.86 C ATOM 0 H LEU D 58 24.817 6.044 -11.930 1.00 22.07 H new ATOM 0 HA LEU D 58 23.018 5.089 -10.008 1.00 20.54 H new ATOM 0 HB2 LEU D 58 25.461 3.869 -11.335 1.00 21.59 H new ATOM 0 HB3 LEU D 58 24.384 2.956 -10.297 1.00 21.59 H new ATOM 0 HG LEU D 58 23.460 4.399 -12.797 1.00 21.88 H new ATOM 0 HD11 LEU D 58 23.467 2.189 -13.882 1.00 21.39 H new ATOM 0 HD12 LEU D 58 25.104 2.692 -13.397 1.00 21.39 H new ATOM 0 HD13 LEU D 58 24.221 1.484 -12.432 1.00 21.39 H new ATOM 0 HD21 LEU D 58 21.501 2.919 -12.585 1.00 21.86 H new ATOM 0 HD22 LEU D 58 22.180 2.243 -11.085 1.00 21.86 H new ATOM 0 HD23 LEU D 58 21.702 3.956 -11.153 1.00 21.86 H new ATOM 1696 N ALA D 59 26.166 5.141 -8.982 1.00 19.30 N ATOM 1697 CA ALA D 59 27.012 5.175 -7.794 1.00 17.88 C ATOM 1698 C ALA D 59 26.543 6.251 -6.820 1.00 16.91 C ATOM 1699 O ALA D 59 26.693 6.113 -5.607 1.00 17.45 O ATOM 1700 CB ALA D 59 28.462 5.411 -8.186 1.00 18.36 C ATOM 0 H ALA D 59 26.678 5.147 -9.864 1.00 19.30 H new ATOM 0 HA ALA D 59 26.936 4.209 -7.294 1.00 17.88 H new ATOM 0 HB1 ALA D 59 29.082 5.434 -7.290 1.00 18.36 H new ATOM 0 HB2 ALA D 59 28.798 4.606 -8.839 1.00 18.36 H new ATOM 0 HB3 ALA D 59 28.547 6.363 -8.710 1.00 18.36 H new ATOM 1706 N ASP D 60 25.973 7.323 -7.363 1.00 15.72 N ATOM 1707 CA ASP D 60 25.478 8.421 -6.542 1.00 14.93 C ATOM 1708 C ASP D 60 24.215 8.009 -5.794 1.00 12.26 C ATOM 1709 O ASP D 60 24.192 7.980 -4.562 1.00 11.73 O ATOM 1710 CB ASP D 60 25.194 9.649 -7.408 1.00 15.14 C ATOM 1711 CG ASP D 60 24.634 10.806 -6.603 1.00 15.74 C ATOM 1712 OD1 ASP D 60 24.799 10.803 -5.365 1.00 15.17 O ATOM 1713 OD2 ASP D 60 24.030 11.715 -7.210 1.00 16.85 O ATOM 0 H ASP D 60 25.843 7.454 -8.366 1.00 15.72 H new ATOM 0 HA ASP D 60 26.248 8.673 -5.813 1.00 14.93 H new ATOM 0 HB2 ASP D 60 26.114 9.964 -7.900 1.00 15.14 H new ATOM 0 HB3 ASP D 60 24.488 9.381 -8.194 1.00 15.14 H new ATOM 1718 N GLU D 61 23.168 7.686 -6.544 1.00 11.04 N ATOM 1719 CA GLU D 61 21.904 7.270 -5.950 1.00 8.54 C ATOM 1720 C GLU D 61 22.110 6.059 -5.046 1.00 8.51 C ATOM 1721 O GLU D 61 21.490 5.945 -3.990 1.00 7.98 O ATOM 1722 CB GLU D 61 20.883 6.943 -7.042 1.00 7.16 C ATOM 1723 CG GLU D 61 20.616 8.101 -7.989 1.00 9.08 C ATOM 1724 CD GLU D 61 19.313 8.814 -7.686 1.00 8.09 C ATOM 1725 OE1 GLU D 61 19.325 9.748 -6.857 1.00 6.59 O ATOM 1726 OE2 GLU D 61 18.280 8.438 -8.278 1.00 9.32 O ATOM 0 H GLU D 61 23.170 7.704 -7.564 1.00 11.04 H new ATOM 0 HA GLU D 61 21.522 8.094 -5.347 1.00 8.54 H new ATOM 0 HB2 GLU D 61 21.239 6.088 -7.617 1.00 7.16 H new ATOM 0 HB3 GLU D 61 19.945 6.643 -6.574 1.00 7.16 H new ATOM 0 HG2 GLU D 61 21.439 8.813 -7.927 1.00 9.08 H new ATOM 0 HG3 GLU D 61 20.593 7.730 -9.014 1.00 9.08 H new ATOM 1733 N GLN D 62 22.992 5.158 -5.470 1.00 9.58 N ATOM 1734 CA GLN D 62 23.290 3.958 -4.701 1.00 9.64 C ATOM 1735 C GLN D 62 24.082 4.304 -3.444 1.00 10.73 C ATOM 1736 O GLN D 62 23.820 3.770 -2.366 1.00 11.06 O ATOM 1737 CB GLN D 62 24.078 2.966 -5.558 1.00 9.13 C ATOM 1738 CG GLN D 62 23.204 2.085 -6.438 1.00 8.37 C ATOM 1739 CD GLN D 62 22.061 2.840 -7.090 1.00 6.85 C ATOM 1740 OE1 GLN D 62 21.292 3.529 -6.420 1.00 7.11 O ATOM 1741 NE2 GLN D 62 21.943 2.708 -8.407 1.00 6.20 N ATOM 0 H GLN D 62 23.512 5.238 -6.344 1.00 9.58 H new ATOM 0 HA GLN D 62 22.347 3.501 -4.401 1.00 9.64 H new ATOM 0 HB2 GLN D 62 24.773 3.518 -6.190 1.00 9.13 H new ATOM 0 HB3 GLN D 62 24.676 2.331 -4.905 1.00 9.13 H new ATOM 0 HG2 GLN D 62 23.821 1.631 -7.214 1.00 8.37 H new ATOM 0 HG3 GLN D 62 22.798 1.271 -5.837 1.00 8.37 H new ATOM 0 HE21 GLN D 62 22.604 2.126 -8.922 1.00 6.20 H new ATOM 0 HE22 GLN D 62 21.192 3.188 -8.902 1.00 6.20 H new ATOM 1750 N SER D 63 25.050 5.205 -3.589 1.00 11.36 N ATOM 1751 CA SER D 63 25.876 5.625 -2.463 1.00 12.41 C ATOM 1752 C SER D 63 25.056 6.430 -1.464 1.00 11.56 C ATOM 1753 O SER D 63 24.982 6.084 -0.284 1.00 10.06 O ATOM 1754 CB SER D 63 27.065 6.455 -2.953 1.00 15.46 C ATOM 1755 OG SER D 63 26.629 7.620 -3.631 1.00 16.62 O ATOM 0 H SER D 63 25.281 5.657 -4.474 1.00 11.36 H new ATOM 0 HA SER D 63 26.251 4.731 -1.965 1.00 12.41 H new ATOM 0 HB2 SER D 63 27.690 6.736 -2.105 1.00 15.46 H new ATOM 0 HB3 SER D 63 27.683 5.853 -3.619 1.00 15.46 H new ATOM 0 HG SER D 63 25.990 7.371 -4.331 1.00 16.62 H new ATOM 1761 N GLU D 64 24.433 7.505 -1.941 1.00 12.94 N ATOM 1762 CA GLU D 64 23.613 8.353 -1.089 1.00 13.27 C ATOM 1763 C GLU D 64 22.620 7.513 -0.293 1.00 10.92 C ATOM 1764 O GLU D 64 22.245 7.866 0.825 1.00 11.27 O ATOM 1765 CB GLU D 64 22.869 9.386 -1.935 1.00 15.38 C ATOM 1766 CG GLU D 64 21.813 8.782 -2.847 1.00 14.73 C ATOM 1767 CD GLU D 64 20.533 8.436 -2.111 1.00 14.83 C ATOM 1768 OE1 GLU D 64 20.316 8.982 -1.008 1.00 14.67 O ATOM 1769 OE2 GLU D 64 19.748 7.620 -2.637 1.00 15.18 O ATOM 0 H GLU D 64 24.482 7.807 -2.914 1.00 12.94 H new ATOM 0 HA GLU D 64 24.266 8.873 -0.388 1.00 13.27 H new ATOM 0 HB2 GLU D 64 22.394 10.110 -1.273 1.00 15.38 H new ATOM 0 HB3 GLU D 64 23.590 9.934 -2.542 1.00 15.38 H new ATOM 0 HG2 GLU D 64 21.587 9.484 -3.650 1.00 14.73 H new ATOM 0 HG3 GLU D 64 22.214 7.882 -3.314 1.00 14.73 H new ATOM 1776 N LEU D 65 22.200 6.396 -0.881 1.00 9.13 N ATOM 1777 CA LEU D 65 21.256 5.498 -0.231 1.00 7.13 C ATOM 1778 C LEU D 65 21.883 4.867 1.006 1.00 5.90 C ATOM 1779 O LEU D 65 21.253 4.785 2.062 1.00 5.21 O ATOM 1780 CB LEU D 65 20.806 4.406 -1.204 1.00 7.78 C ATOM 1781 CG LEU D 65 19.293 4.206 -1.297 1.00 8.92 C ATOM 1782 CD1 LEU D 65 18.851 4.152 -2.750 1.00 9.73 C ATOM 1783 CD2 LEU D 65 18.881 2.939 -0.563 1.00 7.93 C ATOM 0 H LEU D 65 22.500 6.093 -1.807 1.00 9.13 H new ATOM 0 HA LEU D 65 20.386 6.078 0.076 1.00 7.13 H new ATOM 0 HB2 LEU D 65 21.187 4.645 -2.197 1.00 7.78 H new ATOM 0 HB3 LEU D 65 21.264 3.463 -0.905 1.00 7.78 H new ATOM 0 HG LEU D 65 18.801 5.055 -0.822 1.00 8.92 H new ATOM 0 HD11 LEU D 65 17.771 4.009 -2.797 1.00 9.73 H new ATOM 0 HD12 LEU D 65 19.115 5.086 -3.246 1.00 9.73 H new ATOM 0 HD13 LEU D 65 19.349 3.322 -3.251 1.00 9.73 H new ATOM 0 HD21 LEU D 65 17.801 2.810 -0.638 1.00 7.93 H new ATOM 0 HD22 LEU D 65 19.381 2.080 -1.011 1.00 7.93 H new ATOM 0 HD23 LEU D 65 19.165 3.018 0.486 1.00 7.93 H new ATOM 1795 N VAL D 66 23.130 4.426 0.870 1.00 6.47 N ATOM 1796 CA VAL D 66 23.845 3.808 1.978 1.00 6.76 C ATOM 1797 C VAL D 66 23.993 4.782 3.141 1.00 7.31 C ATOM 1798 O VAL D 66 23.976 4.381 4.305 1.00 7.64 O ATOM 1799 CB VAL D 66 25.244 3.326 1.547 1.00 7.84 C ATOM 1800 CG1 VAL D 66 25.864 2.452 2.625 1.00 8.75 C ATOM 1801 CG2 VAL D 66 25.169 2.581 0.223 1.00 8.05 C ATOM 0 H VAL D 66 23.665 4.486 0.003 1.00 6.47 H new ATOM 0 HA VAL D 66 23.256 2.948 2.296 1.00 6.76 H new ATOM 0 HB VAL D 66 25.882 4.199 1.409 1.00 7.84 H new ATOM 0 HG11 VAL D 66 26.851 2.121 2.302 1.00 8.75 H new ATOM 0 HG12 VAL D 66 25.957 3.024 3.548 1.00 8.75 H new ATOM 0 HG13 VAL D 66 25.229 1.583 2.799 1.00 8.75 H new ATOM 0 HG21 VAL D 66 26.166 2.249 -0.065 1.00 8.05 H new ATOM 0 HG22 VAL D 66 24.515 1.716 0.329 1.00 8.05 H new ATOM 0 HG23 VAL D 66 24.772 3.244 -0.546 1.00 8.05 H new ATOM 1811 N LYS D 67 24.132 6.063 2.818 1.00 8.04 N ATOM 1812 CA LYS D 67 24.277 7.097 3.835 1.00 8.82 C ATOM 1813 C LYS D 67 23.046 7.146 4.731 1.00 8.12 C ATOM 1814 O LYS D 67 23.131 6.896 5.933 1.00 8.40 O ATOM 1815 CB LYS D 67 24.500 8.461 3.178 1.00 9.87 C ATOM 1816 CG LYS D 67 24.901 9.551 4.158 1.00 12.83 C ATOM 1817 CD LYS D 67 24.150 10.845 3.889 1.00 13.90 C ATOM 1818 CE LYS D 67 25.034 11.868 3.191 1.00 14.63 C ATOM 1819 NZ LYS D 67 24.489 13.249 3.313 1.00 14.61 N ATOM 0 H LYS D 67 24.147 6.410 1.859 1.00 8.04 H new ATOM 0 HA LYS D 67 25.144 6.853 4.449 1.00 8.82 H new ATOM 0 HB2 LYS D 67 25.274 8.366 2.417 1.00 9.87 H new ATOM 0 HB3 LYS D 67 23.586 8.762 2.667 1.00 9.87 H new ATOM 0 HG2 LYS D 67 24.701 9.218 5.176 1.00 12.83 H new ATOM 0 HG3 LYS D 67 25.974 9.730 4.086 1.00 12.83 H new ATOM 0 HD2 LYS D 67 23.275 10.638 3.273 1.00 13.90 H new ATOM 0 HD3 LYS D 67 23.787 11.258 4.830 1.00 13.90 H new ATOM 0 HE2 LYS D 67 26.036 11.834 3.619 1.00 14.63 H new ATOM 0 HE3 LYS D 67 25.129 11.607 2.137 1.00 14.63 H new ATOM 0 HZ1 LYS D 67 25.120 13.916 2.824 1.00 14.61 H new ATOM 0 HZ2 LYS D 67 23.543 13.288 2.882 1.00 14.61 H new ATOM 0 HZ3 LYS D 67 24.423 13.508 4.318 1.00 14.61 H new ATOM 1833 N LYS D 68 21.901 7.465 4.138 1.00 8.00 N ATOM 1834 CA LYS D 68 20.652 7.540 4.884 1.00 7.86 C ATOM 1835 C LYS D 68 20.388 6.231 5.618 1.00 7.80 C ATOM 1836 O LYS D 68 19.723 6.209 6.653 1.00 7.92 O ATOM 1837 CB LYS D 68 19.489 7.858 3.943 1.00 7.06 C ATOM 1838 CG LYS D 68 19.734 9.070 3.060 1.00 6.55 C ATOM 1839 CD LYS D 68 18.438 9.600 2.468 1.00 7.81 C ATOM 1840 CE LYS D 68 18.620 10.994 1.889 1.00 7.73 C ATOM 1841 NZ LYS D 68 17.979 11.128 0.552 1.00 7.75 N ATOM 0 H LYS D 68 21.813 7.675 3.144 1.00 8.00 H new ATOM 0 HA LYS D 68 20.739 8.340 5.619 1.00 7.86 H new ATOM 0 HB2 LYS D 68 19.297 6.991 3.311 1.00 7.06 H new ATOM 0 HB3 LYS D 68 18.589 8.026 4.535 1.00 7.06 H new ATOM 0 HG2 LYS D 68 20.216 9.855 3.643 1.00 6.55 H new ATOM 0 HG3 LYS D 68 20.420 8.803 2.256 1.00 6.55 H new ATOM 0 HD2 LYS D 68 18.089 8.923 1.688 1.00 7.81 H new ATOM 0 HD3 LYS D 68 17.667 9.622 3.238 1.00 7.81 H new ATOM 0 HE2 LYS D 68 18.193 11.729 2.571 1.00 7.73 H new ATOM 0 HE3 LYS D 68 19.684 11.216 1.805 1.00 7.73 H new ATOM 0 HZ1 LYS D 68 18.126 12.093 0.192 1.00 7.75 H new ATOM 0 HZ2 LYS D 68 18.403 10.444 -0.107 1.00 7.75 H new ATOM 0 HZ3 LYS D 68 16.959 10.941 0.636 1.00 7.75 H new ATOM 1855 N MET D 69 20.920 5.140 5.075 1.00 7.79 N ATOM 1856 CA MET D 69 20.749 3.824 5.679 1.00 8.04 C ATOM 1857 C MET D 69 21.632 3.683 6.914 1.00 9.00 C ATOM 1858 O MET D 69 21.156 3.329 7.993 1.00 10.89 O ATOM 1859 CB MET D 69 21.086 2.728 4.666 1.00 7.18 C ATOM 1860 CG MET D 69 20.751 1.327 5.150 1.00 8.41 C ATOM 1861 SD MET D 69 21.478 0.043 4.114 1.00 7.42 S ATOM 1862 CE MET D 69 23.201 0.532 4.126 1.00 4.86 C ATOM 0 H MET D 69 21.473 5.142 4.218 1.00 7.79 H new ATOM 0 HA MET D 69 19.707 3.717 5.982 1.00 8.04 H new ATOM 0 HB2 MET D 69 20.545 2.922 3.740 1.00 7.18 H new ATOM 0 HB3 MET D 69 22.149 2.777 4.430 1.00 7.18 H new ATOM 0 HG2 MET D 69 21.105 1.206 6.174 1.00 8.41 H new ATOM 0 HG3 MET D 69 19.668 1.203 5.170 1.00 8.41 H new ATOM 0 HE1 MET D 69 23.790 -0.197 3.570 1.00 4.86 H new ATOM 0 HE2 MET D 69 23.304 1.512 3.661 1.00 4.86 H new ATOM 0 HE3 MET D 69 23.559 0.579 5.155 1.00 4.86 H new ATOM 1872 N VAL D 70 22.920 3.968 6.748 1.00 7.92 N ATOM 1873 CA VAL D 70 23.868 3.877 7.851 1.00 8.66 C ATOM 1874 C VAL D 70 23.676 5.030 8.830 1.00 10.52 C ATOM 1875 O VAL D 70 24.045 4.930 10.001 1.00 10.93 O ATOM 1876 CB VAL D 70 25.321 3.878 7.342 1.00 8.18 C ATOM 1877 CG1 VAL D 70 26.294 3.772 8.506 1.00 7.24 C ATOM 1878 CG2 VAL D 70 25.537 2.744 6.352 1.00 8.20 C ATOM 0 H VAL D 70 23.330 4.263 5.862 1.00 7.92 H new ATOM 0 HA VAL D 70 23.676 2.934 8.363 1.00 8.66 H new ATOM 0 HB VAL D 70 25.508 4.821 6.828 1.00 8.18 H new ATOM 0 HG11 VAL D 70 27.316 3.774 8.127 1.00 7.24 H new ATOM 0 HG12 VAL D 70 26.154 4.620 9.176 1.00 7.24 H new ATOM 0 HG13 VAL D 70 26.111 2.846 9.050 1.00 7.24 H new ATOM 0 HG21 VAL D 70 26.569 2.759 6.002 1.00 8.20 H new ATOM 0 HG22 VAL D 70 25.333 1.791 6.840 1.00 8.20 H new ATOM 0 HG23 VAL D 70 24.864 2.869 5.504 1.00 8.20 H new ATOM 1888 N PHE D 71 23.091 6.123 8.347 1.00 12.17 N ATOM 1889 CA PHE D 71 22.842 7.290 9.184 1.00 14.09 C ATOM 1890 C PHE D 71 21.822 6.961 10.267 1.00 16.77 C ATOM 1891 O PHE D 71 22.008 7.299 11.436 1.00 18.23 O ATOM 1892 CB PHE D 71 22.345 8.458 8.331 1.00 14.38 C ATOM 1893 CG PHE D 71 21.995 9.681 9.131 1.00 14.08 C ATOM 1894 CD1 PHE D 71 22.809 10.093 10.196 1.00 12.86 C ATOM 1895 CD2 PHE D 71 20.852 10.431 8.824 1.00 15.10 C ATOM 1896 CE1 PHE D 71 22.488 11.231 10.941 1.00 12.70 C ATOM 1897 CE2 PHE D 71 20.525 11.570 9.566 1.00 14.88 C ATOM 1898 CZ PHE D 71 21.344 11.970 10.625 1.00 13.68 C ATOM 0 H PHE D 71 22.781 6.224 7.380 1.00 12.17 H new ATOM 0 HA PHE D 71 23.778 7.577 9.663 1.00 14.09 H new ATOM 0 HB2 PHE D 71 23.113 8.718 7.603 1.00 14.38 H new ATOM 0 HB3 PHE D 71 21.468 8.139 7.768 1.00 14.38 H new ATOM 0 HD1 PHE D 71 23.694 9.525 10.443 1.00 12.86 H new ATOM 0 HD2 PHE D 71 20.217 10.126 8.006 1.00 15.10 H new ATOM 0 HE1 PHE D 71 23.122 11.539 11.759 1.00 12.70 H new ATOM 0 HE2 PHE D 71 19.641 12.140 9.321 1.00 14.88 H new ATOM 0 HZ PHE D 71 21.093 12.850 11.199 1.00 13.68 H new ATOM 1908 N ASP D 72 20.743 6.293 9.868 1.00 17.65 N ATOM 1909 CA ASP D 72 19.693 5.909 10.804 1.00 20.17 C ATOM 1910 C ASP D 72 20.235 4.933 11.843 1.00 20.01 C ATOM 1911 O ASP D 72 19.922 5.036 13.029 1.00 19.90 O ATOM 1912 CB ASP D 72 18.518 5.278 10.055 1.00 21.24 C ATOM 1913 CG ASP D 72 17.193 5.513 10.754 1.00 22.86 C ATOM 1914 OD1 ASP D 72 16.754 6.680 10.818 1.00 23.11 O ATOM 1915 OD2 ASP D 72 16.593 4.529 11.237 1.00 23.99 O ATOM 0 H ASP D 72 20.574 6.007 8.904 1.00 17.65 H new ATOM 0 HA ASP D 72 19.344 6.806 11.316 1.00 20.17 H new ATOM 0 HB2 ASP D 72 18.471 5.688 9.046 1.00 21.24 H new ATOM 0 HB3 ASP D 72 18.688 4.206 9.955 1.00 21.24 H new ATOM 1920 N THR D 73 21.053 3.989 11.388 1.00 20.10 N ATOM 1921 CA THR D 73 21.644 2.996 12.276 1.00 20.07 C ATOM 1922 C THR D 73 22.506 3.666 13.341 1.00 21.71 C ATOM 1923 O THR D 73 22.276 3.497 14.538 1.00 23.14 O ATOM 1924 CB THR D 73 22.485 2.000 11.477 1.00 17.92 C ATOM 1925 OG1 THR D 73 21.674 1.268 10.574 1.00 18.45 O ATOM 1926 CG2 THR D 73 23.218 1.001 12.347 1.00 17.77 C ATOM 0 H THR D 73 21.321 3.891 10.409 1.00 20.10 H new ATOM 0 HA THR D 73 20.834 2.460 12.771 1.00 20.07 H new ATOM 0 HB THR D 73 23.220 2.605 10.947 1.00 17.92 H new ATOM 0 HG1 THR D 73 21.468 1.825 9.794 1.00 18.45 H new ATOM 0 HG21 THR D 73 23.795 0.324 11.717 1.00 17.77 H new ATOM 0 HG22 THR D 73 23.890 1.531 13.022 1.00 17.77 H new ATOM 0 HG23 THR D 73 22.497 0.428 12.930 1.00 17.77 H new ATOM 1934 N LEU D 74 23.500 4.431 12.897 1.00 21.60 N ATOM 1935 CA LEU D 74 24.394 5.129 13.813 1.00 23.27 C ATOM 1936 C LEU D 74 23.599 5.918 14.848 1.00 25.36 C ATOM 1937 O LEU D 74 23.927 5.911 16.034 1.00 27.17 O ATOM 1938 CB LEU D 74 25.325 6.068 13.041 1.00 23.11 C ATOM 1939 CG LEU D 74 26.272 5.379 12.056 1.00 21.98 C ATOM 1940 CD1 LEU D 74 26.800 6.376 11.037 1.00 22.88 C ATOM 1941 CD2 LEU D 74 27.420 4.714 12.799 1.00 21.47 C ATOM 0 H LEU D 74 23.705 4.582 11.909 1.00 21.60 H new ATOM 0 HA LEU D 74 24.996 4.383 14.332 1.00 23.27 H new ATOM 0 HB2 LEU D 74 24.717 6.788 12.493 1.00 23.11 H new ATOM 0 HB3 LEU D 74 25.920 6.634 13.758 1.00 23.11 H new ATOM 0 HG LEU D 74 25.715 4.608 11.523 1.00 21.98 H new ATOM 0 HD11 LEU D 74 27.472 5.868 10.345 1.00 22.88 H new ATOM 0 HD12 LEU D 74 25.966 6.806 10.483 1.00 22.88 H new ATOM 0 HD13 LEU D 74 27.342 7.170 11.551 1.00 22.88 H new ATOM 0 HD21 LEU D 74 28.084 4.229 12.084 1.00 21.47 H new ATOM 0 HD22 LEU D 74 27.976 5.467 13.358 1.00 21.47 H new ATOM 0 HD23 LEU D 74 27.024 3.969 13.489 1.00 21.47 H new ATOM 1953 N LYS D 75 22.548 6.593 14.392 1.00 25.21 N ATOM 1954 CA LYS D 75 21.703 7.382 15.282 1.00 27.17 C ATOM 1955 C LYS D 75 21.264 6.550 16.480 1.00 27.74 C ATOM 1956 O LYS D 75 21.265 7.026 17.616 1.00 29.17 O ATOM 1957 CB LYS D 75 20.479 7.908 14.530 1.00 27.23 C ATOM 1958 CG LYS D 75 19.669 8.921 15.323 1.00 27.09 C ATOM 1959 CD LYS D 75 18.994 9.933 14.412 1.00 26.85 C ATOM 1960 CE LYS D 75 18.088 10.869 15.196 1.00 29.38 C ATOM 1961 NZ LYS D 75 18.098 12.249 14.639 1.00 29.69 N ATOM 0 H LYS D 75 22.262 6.609 13.413 1.00 25.21 H new ATOM 0 HA LYS D 75 22.284 8.231 15.642 1.00 27.17 H new ATOM 0 HB2 LYS D 75 20.805 8.366 13.596 1.00 27.23 H new ATOM 0 HB3 LYS D 75 19.837 7.068 14.265 1.00 27.23 H new ATOM 0 HG2 LYS D 75 18.914 8.402 15.914 1.00 27.09 H new ATOM 0 HG3 LYS D 75 20.322 9.440 16.025 1.00 27.09 H new ATOM 0 HD2 LYS D 75 19.752 10.514 13.886 1.00 26.85 H new ATOM 0 HD3 LYS D 75 18.411 9.410 13.654 1.00 26.85 H new ATOM 0 HE2 LYS D 75 17.069 10.481 15.186 1.00 29.38 H new ATOM 0 HE3 LYS D 75 18.408 10.896 16.238 1.00 29.38 H new ATOM 0 HZ1 LYS D 75 17.468 12.855 15.202 1.00 29.69 H new ATOM 0 HZ2 LYS D 75 19.065 12.630 14.672 1.00 29.69 H new ATOM 0 HZ3 LYS D 75 17.768 12.228 13.653 1.00 29.69 H new ATOM 1975 N ASP D 76 20.895 5.301 16.218 1.00 26.75 N ATOM 1976 CA ASP D 76 20.462 4.396 17.271 1.00 27.40 C ATOM 1977 C ASP D 76 21.663 3.852 18.036 1.00 27.57 C ATOM 1978 O ASP D 76 21.576 3.563 19.228 1.00 28.84 O ATOM 1979 CB ASP D 76 19.651 3.241 16.679 1.00 26.14 C ATOM 1980 CG ASP D 76 18.486 3.726 15.840 1.00 26.07 C ATOM 1981 OD1 ASP D 76 18.622 4.783 15.189 1.00 25.55 O ATOM 1982 OD2 ASP D 76 17.436 3.049 15.833 1.00 26.73 O ATOM 0 H ASP D 76 20.888 4.894 15.283 1.00 26.75 H new ATOM 0 HA ASP D 76 19.830 4.952 17.963 1.00 27.40 H new ATOM 0 HB2 ASP D 76 20.303 2.619 16.066 1.00 26.14 H new ATOM 0 HB3 ASP D 76 19.277 2.611 17.486 1.00 26.14 H new ATOM 1987 N LEU D 77 22.788 3.725 17.338 1.00 26.34 N ATOM 1988 CA LEU D 77 24.013 3.226 17.945 1.00 26.35 C ATOM 1989 C LEU D 77 24.495 4.174 19.037 1.00 27.91 C ATOM 1990 O LEU D 77 24.837 3.747 20.139 1.00 28.56 O ATOM 1991 CB LEU D 77 25.097 3.060 16.879 1.00 25.41 C ATOM 1992 CG LEU D 77 24.949 1.827 15.987 1.00 25.74 C ATOM 1993 CD1 LEU D 77 25.898 1.907 14.803 1.00 23.83 C ATOM 1994 CD2 LEU D 77 25.201 0.558 16.789 1.00 27.29 C ATOM 0 H LEU D 77 22.874 3.962 16.350 1.00 26.34 H new ATOM 0 HA LEU D 77 23.805 2.256 18.396 1.00 26.35 H new ATOM 0 HB2 LEU D 77 25.101 3.948 16.247 1.00 25.41 H new ATOM 0 HB3 LEU D 77 26.067 3.016 17.374 1.00 25.41 H new ATOM 0 HG LEU D 77 23.928 1.798 15.606 1.00 25.74 H new ATOM 0 HD11 LEU D 77 25.778 1.021 14.180 1.00 23.83 H new ATOM 0 HD12 LEU D 77 25.672 2.797 14.215 1.00 23.83 H new ATOM 0 HD13 LEU D 77 26.925 1.961 15.163 1.00 23.83 H new ATOM 0 HD21 LEU D 77 25.092 -0.311 16.140 1.00 27.29 H new ATOM 0 HD22 LEU D 77 26.211 0.581 17.198 1.00 27.29 H new ATOM 0 HD23 LEU D 77 24.481 0.494 17.605 1.00 27.29 H new ATOM 2006 N TYR D 78 24.513 5.465 18.720 1.00 28.53 N ATOM 2007 CA TYR D 78 24.946 6.481 19.671 1.00 30.04 C ATOM 2008 C TYR D 78 23.836 6.795 20.668 1.00 32.76 C ATOM 2009 O TYR D 78 24.091 6.993 21.856 1.00 34.43 O ATOM 2010 CB TYR D 78 25.359 7.756 18.934 1.00 28.90 C ATOM 2011 CG TYR D 78 26.840 7.828 18.630 1.00 27.83 C ATOM 2012 CD1 TYR D 78 27.778 8.017 19.660 1.00 29.12 C ATOM 2013 CD2 TYR D 78 27.312 7.709 17.312 1.00 25.68 C ATOM 2014 CE1 TYR D 78 29.146 8.084 19.383 1.00 28.30 C ATOM 2015 CE2 TYR D 78 28.679 7.775 17.028 1.00 24.79 C ATOM 2016 CZ TYR D 78 29.591 7.962 18.066 1.00 26.11 C ATOM 2017 OH TYR D 78 30.937 8.028 17.790 1.00 25.42 O ATOM 0 H TYR D 78 24.232 5.832 17.811 1.00 28.53 H new ATOM 0 HA TYR D 78 25.805 6.091 20.218 1.00 30.04 H new ATOM 0 HB2 TYR D 78 24.801 7.822 18.000 1.00 28.90 H new ATOM 0 HB3 TYR D 78 25.078 8.620 19.535 1.00 28.90 H new ATOM 0 HD1 TYR D 78 27.436 8.112 20.680 1.00 29.12 H new ATOM 0 HD2 TYR D 78 26.608 7.564 16.506 1.00 25.68 H new ATOM 0 HE1 TYR D 78 29.855 8.229 20.184 1.00 28.30 H new ATOM 0 HE2 TYR D 78 29.027 7.682 16.010 1.00 24.79 H new ATOM 0 HH TYR D 78 31.079 7.924 16.826 1.00 25.42 H new ATOM 2027 N LYS D 79 22.602 6.835 20.176 1.00 33.37 N ATOM 2028 CA LYS D 79 21.451 7.122 21.022 1.00 35.99 C ATOM 2029 C LYS D 79 21.298 6.061 22.107 1.00 37.86 C ATOM 2030 O LYS D 79 20.789 6.336 23.192 1.00 39.51 O ATOM 2031 CB LYS D 79 20.176 7.191 20.178 1.00 36.55 C ATOM 2032 CG LYS D 79 18.928 7.514 20.984 1.00 37.59 C ATOM 2033 CD LYS D 79 17.909 8.273 20.150 1.00 39.43 C ATOM 2034 CE LYS D 79 18.251 9.751 20.061 1.00 39.86 C ATOM 2035 NZ LYS D 79 17.544 10.549 21.100 1.00 42.61 N ATOM 0 H LYS D 79 22.374 6.672 19.195 1.00 33.37 H new ATOM 0 HA LYS D 79 21.614 8.087 21.501 1.00 35.99 H new ATOM 0 HB2 LYS D 79 20.304 7.947 19.403 1.00 36.55 H new ATOM 0 HB3 LYS D 79 20.034 6.237 19.671 1.00 36.55 H new ATOM 0 HG2 LYS D 79 18.482 6.590 21.353 1.00 37.59 H new ATOM 0 HG3 LYS D 79 19.200 8.107 21.857 1.00 37.59 H new ATOM 0 HD2 LYS D 79 17.868 7.847 19.148 1.00 39.43 H new ATOM 0 HD3 LYS D 79 16.918 8.154 20.588 1.00 39.43 H new ATOM 0 HE2 LYS D 79 19.327 9.882 20.173 1.00 39.86 H new ATOM 0 HE3 LYS D 79 17.986 10.126 19.073 1.00 39.86 H new ATOM 0 HZ1 LYS D 79 17.804 11.551 21.005 1.00 42.61 H new ATOM 0 HZ2 LYS D 79 16.516 10.445 20.978 1.00 42.61 H new ATOM 0 HZ3 LYS D 79 17.816 10.209 22.044 1.00 42.61 H new