USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 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: C 75 LYS NZ :NH3+ 160:sc= -0.0066 (180deg=-0.129) USER MOD Set 1.2: C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 THR OG1 : rot 88:sc= 0.283 USER MOD Set 2.2: C 69 MET CE :methyl 146:sc= -3.39 (180deg=-7.68!) USER MOD Set 3.1: B 69 MET CE :methyl 144:sc= -2.02 (180deg=-2.37) USER MOD Set 3.2: B 73 THR OG1 : rot 85:sc= 0.403 USER MOD Set 3.3: C 78 TYR OH : rot -71:sc= -4.32! USER MOD Set 3.4: D 62 GLN : amide:sc= -2.61 K(o=-8.5,f=-15!) USER MOD Set 4.1: A 78 TYR OH : rot -54:sc= -4.14! USER MOD Set 4.2: B 62 GLN : amide:sc= -4.16! C(o=-9.6!,f=-16!) USER MOD Set 4.3: D 69 MET CE :methyl 145:sc= -1.85 (180deg=-2.3) USER MOD Set 4.4: D 73 THR OG1 : rot 84:sc= 0.599 USER MOD Set 5.1: A 75 LYS NZ :NH3+ 159:sc= -0.0201 (180deg=-0.166) USER MOD Set 5.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 69 MET CE :methyl 144:sc= -3.49! (180deg=-7.54!) USER MOD Set 6.2: C 73 THR OG1 : rot 88:sc= 0.299 USER MOD Single : A 62 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.8!) USER MOD Single : A 63 SER OG : rot -80:sc= 0.484 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 27:sc= 0.553 USER MOD Single : B 63 SER OG : rot -89:sc= 0.667 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 149:sc= -0.248 (180deg=-1.33!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 180:sc= -0.387 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.8!) USER MOD Single : C 63 SER OG : rot -78:sc= 0.484 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 81 THR OG1 : rot 30:sc= 0.437 USER MOD Single : D 63 SER OG : rot -92:sc= 0.725 USER MOD Single : D 67 LYS NZ :NH3+ -165:sc=0.000383 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 148:sc= -0.265 (180deg=-1.4!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 180:sc= -0.0764 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 26.146 -12.468 -17.355 1.00 35.57 N ATOM 54 CA ALA A 55 25.698 -11.157 -16.906 1.00 34.22 C ATOM 55 C ALA A 55 24.897 -11.272 -15.613 1.00 31.76 C ATOM 56 O ALA A 55 25.055 -10.462 -14.700 1.00 31.01 O ATOM 57 CB ALA A 55 24.869 -10.482 -17.987 1.00 33.95 C ATOM 0 HA ALA A 55 26.577 -10.544 -16.708 1.00 34.22 H new ATOM 0 HB1 ALA A 55 24.542 -9.503 -17.636 1.00 33.95 H new ATOM 0 HB2 ALA A 55 25.473 -10.362 -18.887 1.00 33.95 H new ATOM 0 HB3 ALA A 55 23.998 -11.096 -18.214 1.00 33.95 H new ATOM 63 N GLU A 56 24.042 -12.288 -15.542 1.00 30.59 N ATOM 64 CA GLU A 56 23.221 -12.511 -14.358 1.00 28.38 C ATOM 65 C GLU A 56 24.087 -12.928 -13.177 1.00 29.11 C ATOM 66 O GLU A 56 24.042 -12.314 -12.111 1.00 29.37 O ATOM 67 CB GLU A 56 22.163 -13.581 -14.635 1.00 27.36 C ATOM 68 CG GLU A 56 21.029 -13.591 -13.624 1.00 26.72 C ATOM 69 CD GLU A 56 20.220 -14.872 -13.668 1.00 27.02 C ATOM 70 OE1 GLU A 56 20.809 -15.935 -13.957 1.00 29.33 O ATOM 71 OE2 GLU A 56 18.999 -14.814 -13.412 1.00 25.11 O ATOM 0 H GLU A 56 23.900 -12.968 -16.289 1.00 30.59 H new ATOM 0 HA GLU A 56 22.719 -11.576 -14.110 1.00 28.38 H new ATOM 0 HB2 GLU A 56 21.749 -13.422 -15.631 1.00 27.36 H new ATOM 0 HB3 GLU A 56 22.642 -14.560 -14.641 1.00 27.36 H new ATOM 0 HG2 GLU A 56 21.439 -13.459 -12.623 1.00 26.72 H new ATOM 0 HG3 GLU A 56 20.371 -12.743 -13.814 1.00 26.72 H new ATOM 78 N ARG A 57 24.881 -13.972 -13.378 1.00 29.56 N ATOM 79 CA ARG A 57 25.768 -14.470 -12.334 1.00 30.51 C ATOM 80 C ARG A 57 26.766 -13.393 -11.926 1.00 29.46 C ATOM 81 O ARG A 57 27.055 -13.213 -10.744 1.00 29.59 O ATOM 82 CB ARG A 57 26.511 -15.718 -12.815 1.00 32.29 C ATOM 83 CG ARG A 57 27.263 -16.442 -11.711 1.00 31.95 C ATOM 84 CD ARG A 57 28.197 -17.500 -12.276 1.00 33.93 C ATOM 85 NE ARG A 57 29.450 -16.923 -12.754 1.00 34.98 N ATOM 86 CZ ARG A 57 30.310 -17.573 -13.531 1.00 35.66 C ATOM 87 NH1 ARG A 57 30.055 -18.816 -13.911 1.00 35.31 N ATOM 88 NH2 ARG A 57 31.427 -16.978 -13.929 1.00 36.85 N ATOM 0 H ARG A 57 24.929 -14.491 -14.255 1.00 29.56 H new ATOM 0 HA ARG A 57 25.163 -14.735 -11.467 1.00 30.51 H new ATOM 0 HB2 ARG A 57 25.795 -16.405 -13.267 1.00 32.29 H new ATOM 0 HB3 ARG A 57 27.216 -15.433 -13.596 1.00 32.29 H new ATOM 0 HG2 ARG A 57 27.837 -15.722 -11.128 1.00 31.95 H new ATOM 0 HG3 ARG A 57 26.551 -16.909 -11.030 1.00 31.95 H new ATOM 0 HD2 ARG A 57 28.410 -18.244 -11.508 1.00 33.93 H new ATOM 0 HD3 ARG A 57 27.702 -18.021 -13.095 1.00 33.93 H new ATOM 0 HE ARG A 57 29.678 -15.968 -12.476 1.00 34.98 H new ATOM 0 HH11 ARG A 57 29.197 -19.276 -13.607 1.00 35.31 H new ATOM 0 HH12 ARG A 57 30.717 -19.313 -14.507 1.00 35.31 H new ATOM 0 HH21 ARG A 57 31.626 -16.021 -13.639 1.00 36.85 H new ATOM 0 HH22 ARG A 57 32.086 -17.478 -14.525 1.00 36.85 H new ATOM 102 N LEU A 58 27.285 -12.679 -12.918 1.00 28.58 N ATOM 103 CA LEU A 58 28.246 -11.612 -12.674 1.00 27.57 C ATOM 104 C LEU A 58 27.646 -10.548 -11.763 1.00 24.66 C ATOM 105 O LEU A 58 28.246 -10.162 -10.760 1.00 24.09 O ATOM 106 CB LEU A 58 28.686 -10.979 -13.996 1.00 28.49 C ATOM 107 CG LEU A 58 29.801 -11.720 -14.733 1.00 30.54 C ATOM 108 CD1 LEU A 58 30.201 -10.965 -15.990 1.00 30.01 C ATOM 109 CD2 LEU A 58 31.003 -11.914 -13.821 1.00 31.86 C ATOM 0 H LEU A 58 27.055 -12.821 -13.902 1.00 28.58 H new ATOM 0 HA LEU A 58 29.117 -12.043 -12.181 1.00 27.57 H new ATOM 0 HB2 LEU A 58 27.820 -10.912 -14.654 1.00 28.49 H new ATOM 0 HB3 LEU A 58 29.017 -9.959 -13.800 1.00 28.49 H new ATOM 0 HG LEU A 58 29.429 -12.702 -15.026 1.00 30.54 H new ATOM 0 HD11 LEU A 58 30.996 -11.507 -16.502 1.00 30.01 H new ATOM 0 HD12 LEU A 58 29.339 -10.876 -16.651 1.00 30.01 H new ATOM 0 HD13 LEU A 58 30.556 -9.970 -15.720 1.00 30.01 H new ATOM 0 HD21 LEU A 58 31.788 -12.443 -14.361 1.00 31.86 H new ATOM 0 HD22 LEU A 58 31.376 -10.942 -13.499 1.00 31.86 H new ATOM 0 HD23 LEU A 58 30.707 -12.496 -12.948 1.00 31.86 H new ATOM 121 N ALA A 59 26.454 -10.077 -12.119 1.00 22.88 N ATOM 122 CA ALA A 59 25.770 -9.059 -11.333 1.00 20.03 C ATOM 123 C ALA A 59 25.695 -9.465 -9.866 1.00 19.26 C ATOM 124 O ALA A 59 25.738 -8.620 -8.973 1.00 19.44 O ATOM 125 CB ALA A 59 24.375 -8.811 -11.889 1.00 18.93 C ATOM 0 H ALA A 59 25.943 -10.385 -12.947 1.00 22.88 H new ATOM 0 HA ALA A 59 26.342 -8.134 -11.400 1.00 20.03 H new ATOM 0 HB1 ALA A 59 23.876 -8.048 -11.292 1.00 18.93 H new ATOM 0 HB2 ALA A 59 24.450 -8.472 -12.922 1.00 18.93 H new ATOM 0 HB3 ALA A 59 23.799 -9.736 -11.852 1.00 18.93 H new ATOM 131 N ASP A 60 25.585 -10.769 -9.626 1.00 18.57 N ATOM 132 CA ASP A 60 25.509 -11.291 -8.267 1.00 17.94 C ATOM 133 C ASP A 60 26.884 -11.280 -7.611 1.00 17.61 C ATOM 134 O ASP A 60 27.003 -11.141 -6.394 1.00 16.83 O ATOM 135 CB ASP A 60 24.943 -12.712 -8.273 1.00 18.12 C ATOM 136 CG ASP A 60 24.809 -13.287 -6.877 1.00 19.48 C ATOM 137 OD1 ASP A 60 24.609 -12.500 -5.928 1.00 18.89 O ATOM 138 OD2 ASP A 60 24.905 -14.524 -6.734 1.00 21.34 O ATOM 0 H ASP A 60 25.547 -11.482 -10.355 1.00 18.57 H new ATOM 0 HA ASP A 60 24.843 -10.649 -7.691 1.00 17.94 H new ATOM 0 HB2 ASP A 60 23.966 -12.709 -8.757 1.00 18.12 H new ATOM 0 HB3 ASP A 60 25.591 -13.356 -8.867 1.00 18.12 H new ATOM 143 N GLU A 61 27.923 -11.423 -8.429 1.00 18.42 N ATOM 144 CA GLU A 61 29.293 -11.425 -7.931 1.00 18.25 C ATOM 145 C GLU A 61 29.720 -10.020 -7.532 1.00 18.35 C ATOM 146 O GLU A 61 30.201 -9.795 -6.421 1.00 18.18 O ATOM 147 CB GLU A 61 30.245 -11.978 -8.993 1.00 18.49 C ATOM 148 CG GLU A 61 31.617 -12.341 -8.448 1.00 20.05 C ATOM 149 CD GLU A 61 32.629 -12.605 -9.545 1.00 20.37 C ATOM 150 OE1 GLU A 61 32.243 -13.185 -10.582 1.00 19.67 O ATOM 151 OE2 GLU A 61 33.807 -12.231 -9.368 1.00 21.35 O ATOM 0 H GLU A 61 27.841 -11.539 -9.439 1.00 18.42 H new ATOM 0 HA GLU A 61 29.335 -12.066 -7.050 1.00 18.25 H new ATOM 0 HB2 GLU A 61 29.797 -12.863 -9.446 1.00 18.49 H new ATOM 0 HB3 GLU A 61 30.362 -11.239 -9.785 1.00 18.49 H new ATOM 0 HG2 GLU A 61 31.978 -11.531 -7.813 1.00 20.05 H new ATOM 0 HG3 GLU A 61 31.531 -13.226 -7.818 1.00 20.05 H new ATOM 158 N GLN A 62 29.536 -9.076 -8.446 1.00 18.80 N ATOM 159 CA GLN A 62 29.897 -7.686 -8.192 1.00 19.14 C ATOM 160 C GLN A 62 29.220 -7.180 -6.925 1.00 18.42 C ATOM 161 O GLN A 62 29.871 -6.616 -6.044 1.00 19.38 O ATOM 162 CB GLN A 62 29.505 -6.806 -9.382 1.00 18.47 C ATOM 163 CG GLN A 62 29.949 -7.362 -10.726 1.00 20.27 C ATOM 164 CD GLN A 62 31.433 -7.671 -10.768 1.00 20.45 C ATOM 165 OE1 GLN A 62 32.177 -7.327 -9.850 1.00 20.71 O ATOM 166 NE2 GLN A 62 31.871 -8.324 -11.839 1.00 20.36 N ATOM 0 H GLN A 62 29.139 -9.247 -9.370 1.00 18.80 H new ATOM 0 HA GLN A 62 30.977 -7.633 -8.056 1.00 19.14 H new ATOM 0 HB2 GLN A 62 28.422 -6.682 -9.390 1.00 18.47 H new ATOM 0 HB3 GLN A 62 29.938 -5.815 -9.248 1.00 18.47 H new ATOM 0 HG2 GLN A 62 29.386 -8.270 -10.943 1.00 20.27 H new ATOM 0 HG3 GLN A 62 29.709 -6.643 -11.510 1.00 20.27 H new ATOM 0 HE21 GLN A 62 31.218 -8.590 -12.576 1.00 20.36 H new ATOM 0 HE22 GLN A 62 32.860 -8.560 -11.924 1.00 20.36 H new ATOM 175 N SER A 63 27.911 -7.390 -6.835 1.00 16.89 N ATOM 176 CA SER A 63 27.148 -6.960 -5.669 1.00 16.33 C ATOM 177 C SER A 63 27.729 -7.566 -4.397 1.00 16.24 C ATOM 178 O SER A 63 27.844 -6.894 -3.372 1.00 14.90 O ATOM 179 CB SER A 63 25.680 -7.360 -5.818 1.00 17.16 C ATOM 180 OG SER A 63 25.552 -8.748 -6.072 1.00 18.65 O ATOM 0 H SER A 63 27.357 -7.855 -7.554 1.00 16.89 H new ATOM 0 HA SER A 63 27.212 -5.874 -5.598 1.00 16.33 H new ATOM 0 HB2 SER A 63 25.136 -7.102 -4.910 1.00 17.16 H new ATOM 0 HB3 SER A 63 25.227 -6.795 -6.633 1.00 17.16 H new ATOM 0 HG SER A 63 25.734 -8.926 -7.018 1.00 18.65 H new ATOM 186 N GLU A 64 28.101 -8.841 -4.474 1.00 17.84 N ATOM 187 CA GLU A 64 28.678 -9.536 -3.330 1.00 18.07 C ATOM 188 C GLU A 64 29.958 -8.847 -2.876 1.00 16.73 C ATOM 189 O GLU A 64 30.269 -8.808 -1.686 1.00 15.72 O ATOM 190 CB GLU A 64 28.964 -10.997 -3.685 1.00 20.02 C ATOM 191 CG GLU A 64 29.378 -11.843 -2.492 1.00 20.11 C ATOM 192 CD GLU A 64 30.467 -12.842 -2.835 1.00 22.94 C ATOM 193 OE1 GLU A 64 31.422 -12.459 -3.543 1.00 23.92 O ATOM 194 OE2 GLU A 64 30.364 -14.006 -2.394 1.00 24.29 O ATOM 0 H GLU A 64 28.013 -9.412 -5.315 1.00 17.84 H new ATOM 0 HA GLU A 64 27.959 -9.507 -2.511 1.00 18.07 H new ATOM 0 HB2 GLU A 64 28.074 -11.433 -4.138 1.00 20.02 H new ATOM 0 HB3 GLU A 64 29.753 -11.032 -4.436 1.00 20.02 H new ATOM 0 HG2 GLU A 64 29.728 -11.190 -1.692 1.00 20.11 H new ATOM 0 HG3 GLU A 64 28.508 -12.377 -2.110 1.00 20.11 H new ATOM 201 N LEU A 65 30.696 -8.296 -3.833 1.00 16.77 N ATOM 202 CA LEU A 65 31.936 -7.597 -3.527 1.00 15.62 C ATOM 203 C LEU A 65 31.635 -6.302 -2.782 1.00 13.47 C ATOM 204 O LEU A 65 32.439 -5.829 -1.978 1.00 13.58 O ATOM 205 CB LEU A 65 32.714 -7.300 -4.811 1.00 16.39 C ATOM 206 CG LEU A 65 33.187 -8.535 -5.581 1.00 18.21 C ATOM 207 CD1 LEU A 65 33.241 -8.245 -7.072 1.00 17.62 C ATOM 208 CD2 LEU A 65 34.547 -8.989 -5.074 1.00 20.40 C ATOM 0 H LEU A 65 30.457 -8.320 -4.824 1.00 16.77 H new ATOM 0 HA LEU A 65 32.549 -8.236 -2.892 1.00 15.62 H new ATOM 0 HB2 LEU A 65 32.085 -6.699 -5.468 1.00 16.39 H new ATOM 0 HB3 LEU A 65 33.583 -6.693 -4.559 1.00 16.39 H new ATOM 0 HG LEU A 65 32.472 -9.341 -5.415 1.00 18.21 H new ATOM 0 HD11 LEU A 65 33.579 -9.134 -7.604 1.00 17.62 H new ATOM 0 HD12 LEU A 65 32.248 -7.967 -7.425 1.00 17.62 H new ATOM 0 HD13 LEU A 65 33.935 -7.425 -7.258 1.00 17.62 H new ATOM 0 HD21 LEU A 65 34.868 -9.868 -5.632 1.00 20.40 H new ATOM 0 HD22 LEU A 65 35.273 -8.187 -5.211 1.00 20.40 H new ATOM 0 HD23 LEU A 65 34.476 -9.238 -4.015 1.00 20.40 H new ATOM 220 N VAL A 66 30.462 -5.737 -3.055 1.00 12.04 N ATOM 221 CA VAL A 66 30.035 -4.504 -2.415 1.00 10.26 C ATOM 222 C VAL A 66 29.475 -4.780 -1.024 1.00 7.99 C ATOM 223 O VAL A 66 29.818 -4.097 -0.060 1.00 8.20 O ATOM 224 CB VAL A 66 28.967 -3.776 -3.251 1.00 10.90 C ATOM 225 CG1 VAL A 66 28.548 -2.480 -2.574 1.00 9.76 C ATOM 226 CG2 VAL A 66 29.481 -3.512 -4.658 1.00 13.39 C ATOM 0 H VAL A 66 29.789 -6.119 -3.720 1.00 12.04 H new ATOM 0 HA VAL A 66 30.915 -3.866 -2.333 1.00 10.26 H new ATOM 0 HB VAL A 66 28.089 -4.418 -3.324 1.00 10.90 H new ATOM 0 HG11 VAL A 66 27.793 -1.980 -3.181 1.00 9.76 H new ATOM 0 HG12 VAL A 66 28.135 -2.701 -1.590 1.00 9.76 H new ATOM 0 HG13 VAL A 66 29.415 -1.829 -2.466 1.00 9.76 H new ATOM 0 HG21 VAL A 66 28.713 -2.997 -5.235 1.00 13.39 H new ATOM 0 HG22 VAL A 66 30.375 -2.891 -4.608 1.00 13.39 H new ATOM 0 HG23 VAL A 66 29.723 -4.459 -5.140 1.00 13.39 H new ATOM 236 N LYS A 67 28.612 -5.788 -0.926 1.00 6.60 N ATOM 237 CA LYS A 67 28.009 -6.152 0.350 1.00 4.93 C ATOM 238 C LYS A 67 29.089 -6.536 1.358 1.00 6.96 C ATOM 239 O LYS A 67 29.070 -6.091 2.506 1.00 7.85 O ATOM 240 CB LYS A 67 27.003 -7.298 0.165 1.00 4.54 C ATOM 241 CG LYS A 67 27.628 -8.686 0.129 1.00 5.22 C ATOM 242 CD LYS A 67 26.582 -9.762 -0.111 1.00 4.09 C ATOM 243 CE LYS A 67 25.970 -10.247 1.194 1.00 3.52 C ATOM 244 NZ LYS A 67 25.558 -11.675 1.115 1.00 5.32 N ATOM 0 H LYS A 67 28.316 -6.365 -1.713 1.00 6.60 H new ATOM 0 HA LYS A 67 27.470 -5.288 0.738 1.00 4.93 H new ATOM 0 HB2 LYS A 67 26.276 -7.261 0.977 1.00 4.54 H new ATOM 0 HB3 LYS A 67 26.454 -7.136 -0.762 1.00 4.54 H new ATOM 0 HG2 LYS A 67 28.381 -8.727 -0.658 1.00 5.22 H new ATOM 0 HG3 LYS A 67 28.141 -8.880 1.071 1.00 5.22 H new ATOM 0 HD2 LYS A 67 25.797 -9.370 -0.758 1.00 4.09 H new ATOM 0 HD3 LYS A 67 27.037 -10.603 -0.635 1.00 4.09 H new ATOM 0 HE2 LYS A 67 26.690 -10.121 2.002 1.00 3.52 H new ATOM 0 HE3 LYS A 67 25.104 -9.632 1.440 1.00 3.52 H new ATOM 0 HZ1 LYS A 67 25.146 -11.968 2.024 1.00 5.32 H new ATOM 0 HZ2 LYS A 67 24.852 -11.791 0.361 1.00 5.32 H new ATOM 0 HZ3 LYS A 67 26.389 -12.265 0.905 1.00 5.32 H new ATOM 258 N LYS A 68 30.036 -7.359 0.915 1.00 8.38 N ATOM 259 CA LYS A 68 31.129 -7.793 1.774 1.00 10.61 C ATOM 260 C LYS A 68 31.950 -6.594 2.232 1.00 10.73 C ATOM 261 O LYS A 68 32.393 -6.530 3.379 1.00 12.39 O ATOM 262 CB LYS A 68 32.023 -8.792 1.033 1.00 12.91 C ATOM 263 CG LYS A 68 33.262 -9.198 1.815 1.00 15.36 C ATOM 264 CD LYS A 68 34.267 -9.921 0.931 1.00 15.86 C ATOM 265 CE LYS A 68 35.188 -8.944 0.220 1.00 15.27 C ATOM 266 NZ LYS A 68 36.322 -8.518 1.086 1.00 16.80 N ATOM 0 H LYS A 68 30.067 -7.737 -0.032 1.00 8.38 H new ATOM 0 HA LYS A 68 30.707 -8.284 2.651 1.00 10.61 H new ATOM 0 HB2 LYS A 68 31.442 -9.684 0.801 1.00 12.91 H new ATOM 0 HB3 LYS A 68 32.330 -8.356 0.082 1.00 12.91 H new ATOM 0 HG2 LYS A 68 33.727 -8.312 2.247 1.00 15.36 H new ATOM 0 HG3 LYS A 68 32.975 -9.844 2.645 1.00 15.36 H new ATOM 0 HD2 LYS A 68 34.860 -10.606 1.537 1.00 15.86 H new ATOM 0 HD3 LYS A 68 33.737 -10.525 0.194 1.00 15.86 H new ATOM 0 HE2 LYS A 68 35.578 -9.407 -0.687 1.00 15.27 H new ATOM 0 HE3 LYS A 68 34.618 -8.068 -0.089 1.00 15.27 H new ATOM 0 HZ1 LYS A 68 36.926 -7.852 0.564 1.00 16.80 H new ATOM 0 HZ2 LYS A 68 35.952 -8.053 1.939 1.00 16.80 H new ATOM 0 HZ3 LYS A 68 36.881 -9.351 1.360 1.00 16.80 H new ATOM 280 N MET A 69 32.139 -5.638 1.327 1.00 9.02 N ATOM 281 CA MET A 69 32.895 -4.432 1.634 1.00 8.97 C ATOM 282 C MET A 69 32.177 -3.612 2.700 1.00 7.50 C ATOM 283 O MET A 69 32.802 -3.095 3.627 1.00 6.56 O ATOM 284 CB MET A 69 33.092 -3.593 0.369 1.00 8.73 C ATOM 285 CG MET A 69 33.713 -2.230 0.631 1.00 7.23 C ATOM 286 SD MET A 69 33.754 -1.190 -0.842 1.00 8.42 S ATOM 287 CE MET A 69 32.073 -1.369 -1.431 1.00 9.21 C ATOM 0 H MET A 69 31.778 -5.677 0.374 1.00 9.02 H new ATOM 0 HA MET A 69 33.872 -4.724 2.018 1.00 8.97 H new ATOM 0 HB2 MET A 69 33.725 -4.144 -0.327 1.00 8.73 H new ATOM 0 HB3 MET A 69 32.127 -3.455 -0.119 1.00 8.73 H new ATOM 0 HG2 MET A 69 33.149 -1.723 1.414 1.00 7.23 H new ATOM 0 HG3 MET A 69 34.728 -2.363 1.005 1.00 7.23 H new ATOM 0 HE1 MET A 69 31.734 -0.425 -1.858 1.00 9.21 H new ATOM 0 HE2 MET A 69 32.036 -2.146 -2.194 1.00 9.21 H new ATOM 0 HE3 MET A 69 31.424 -1.645 -0.600 1.00 9.21 H new ATOM 297 N VAL A 70 30.858 -3.505 2.566 1.00 8.07 N ATOM 298 CA VAL A 70 30.050 -2.757 3.518 1.00 8.17 C ATOM 299 C VAL A 70 29.987 -3.483 4.859 1.00 9.14 C ATOM 300 O VAL A 70 30.093 -2.862 5.917 1.00 9.15 O ATOM 301 CB VAL A 70 28.619 -2.530 2.977 1.00 8.12 C ATOM 302 CG1 VAL A 70 27.709 -1.929 4.041 1.00 8.51 C ATOM 303 CG2 VAL A 70 28.661 -1.636 1.749 1.00 6.08 C ATOM 0 H VAL A 70 30.327 -3.929 1.805 1.00 8.07 H new ATOM 0 HA VAL A 70 30.524 -1.786 3.662 1.00 8.17 H new ATOM 0 HB VAL A 70 28.206 -3.500 2.699 1.00 8.12 H new ATOM 0 HG11 VAL A 70 26.712 -1.783 3.626 1.00 8.51 H new ATOM 0 HG12 VAL A 70 27.652 -2.604 4.895 1.00 8.51 H new ATOM 0 HG13 VAL A 70 28.112 -0.969 4.364 1.00 8.51 H new ATOM 0 HG21 VAL A 70 27.648 -1.482 1.376 1.00 6.08 H new ATOM 0 HG22 VAL A 70 29.100 -0.674 2.014 1.00 6.08 H new ATOM 0 HG23 VAL A 70 29.265 -2.109 0.975 1.00 6.08 H new ATOM 313 N PHE A 71 29.821 -4.800 4.806 1.00 10.55 N ATOM 314 CA PHE A 71 29.751 -5.604 6.020 1.00 11.80 C ATOM 315 C PHE A 71 30.949 -5.316 6.919 1.00 11.46 C ATOM 316 O PHE A 71 30.793 -4.864 8.053 1.00 11.31 O ATOM 317 CB PHE A 71 29.701 -7.094 5.672 1.00 13.85 C ATOM 318 CG PHE A 71 29.836 -7.994 6.866 1.00 15.72 C ATOM 319 CD1 PHE A 71 28.853 -8.007 7.865 1.00 16.76 C ATOM 320 CD2 PHE A 71 30.952 -8.830 7.004 1.00 16.89 C ATOM 321 CE1 PHE A 71 28.980 -8.839 8.981 1.00 18.71 C ATOM 322 CE2 PHE A 71 31.085 -9.666 8.117 1.00 18.96 C ATOM 323 CZ PHE A 71 30.097 -9.669 9.107 1.00 19.77 C ATOM 0 H PHE A 71 29.733 -5.331 3.940 1.00 10.55 H new ATOM 0 HA PHE A 71 28.840 -5.339 6.556 1.00 11.80 H new ATOM 0 HB2 PHE A 71 28.758 -7.310 5.169 1.00 13.85 H new ATOM 0 HB3 PHE A 71 30.499 -7.320 4.965 1.00 13.85 H new ATOM 0 HD1 PHE A 71 27.988 -7.367 7.771 1.00 16.76 H new ATOM 0 HD2 PHE A 71 31.718 -8.829 6.242 1.00 16.89 H new ATOM 0 HE1 PHE A 71 28.216 -8.840 9.745 1.00 18.71 H new ATOM 0 HE2 PHE A 71 31.948 -10.308 8.212 1.00 18.96 H new ATOM 0 HZ PHE A 71 30.197 -10.313 9.968 1.00 19.77 H new ATOM 333 N ASP A 72 32.147 -5.576 6.403 1.00 11.60 N ATOM 334 CA ASP A 72 33.368 -5.338 7.159 1.00 11.31 C ATOM 335 C ASP A 72 33.405 -3.906 7.682 1.00 9.60 C ATOM 336 O ASP A 72 33.718 -3.669 8.847 1.00 9.87 O ATOM 337 CB ASP A 72 34.597 -5.611 6.288 1.00 11.84 C ATOM 338 CG ASP A 72 35.551 -6.602 6.927 1.00 13.76 C ATOM 339 OD1 ASP A 72 35.783 -6.498 8.150 1.00 14.45 O ATOM 340 OD2 ASP A 72 36.065 -7.481 6.205 1.00 14.88 O ATOM 0 H ASP A 72 32.296 -5.951 5.466 1.00 11.60 H new ATOM 0 HA ASP A 72 33.381 -6.020 8.010 1.00 11.31 H new ATOM 0 HB2 ASP A 72 34.275 -5.994 5.320 1.00 11.84 H new ATOM 0 HB3 ASP A 72 35.122 -4.674 6.102 1.00 11.84 H new ATOM 345 N THR A 73 33.074 -2.955 6.813 1.00 8.24 N ATOM 346 CA THR A 73 33.061 -1.549 7.193 1.00 6.79 C ATOM 347 C THR A 73 32.043 -1.311 8.303 1.00 8.27 C ATOM 348 O THR A 73 32.406 -1.068 9.453 1.00 8.60 O ATOM 349 CB THR A 73 32.737 -0.669 5.978 1.00 4.65 C ATOM 350 OG1 THR A 73 33.825 -0.646 5.073 1.00 2.71 O ATOM 351 CG2 THR A 73 32.407 0.769 6.334 1.00 5.25 C ATOM 0 H THR A 73 32.812 -3.133 5.844 1.00 8.24 H new ATOM 0 HA THR A 73 34.051 -1.281 7.562 1.00 6.79 H new ATOM 0 HB THR A 73 31.853 -1.122 5.529 1.00 4.65 H new ATOM 0 HG1 THR A 73 33.741 -1.391 4.442 1.00 2.71 H new ATOM 0 HG21 THR A 73 32.189 1.328 5.424 1.00 5.25 H new ATOM 0 HG22 THR A 73 31.537 0.791 6.990 1.00 5.25 H new ATOM 0 HG23 THR A 73 33.257 1.222 6.844 1.00 5.25 H new ATOM 359 N LEU A 74 30.765 -1.383 7.946 1.00 9.44 N ATOM 360 CA LEU A 74 29.692 -1.173 8.910 1.00 11.40 C ATOM 361 C LEU A 74 29.907 -2.014 10.162 1.00 12.74 C ATOM 362 O LEU A 74 29.624 -1.570 11.275 1.00 14.02 O ATOM 363 CB LEU A 74 28.341 -1.497 8.274 1.00 11.42 C ATOM 364 CG LEU A 74 27.906 -0.528 7.174 1.00 11.49 C ATOM 365 CD1 LEU A 74 26.445 -0.743 6.819 1.00 13.93 C ATOM 366 CD2 LEU A 74 28.153 0.912 7.606 1.00 10.64 C ATOM 0 H LEU A 74 30.448 -1.585 6.998 1.00 9.44 H new ATOM 0 HA LEU A 74 29.700 -0.124 9.205 1.00 11.40 H new ATOM 0 HB2 LEU A 74 28.382 -2.504 7.858 1.00 11.42 H new ATOM 0 HB3 LEU A 74 27.580 -1.506 9.054 1.00 11.42 H new ATOM 0 HG LEU A 74 28.503 -0.725 6.283 1.00 11.49 H new ATOM 0 HD11 LEU A 74 26.155 -0.044 6.035 1.00 13.93 H new ATOM 0 HD12 LEU A 74 26.303 -1.764 6.466 1.00 13.93 H new ATOM 0 HD13 LEU A 74 25.828 -0.575 7.701 1.00 13.93 H new ATOM 0 HD21 LEU A 74 27.838 1.589 6.812 1.00 10.64 H new ATOM 0 HD22 LEU A 74 27.583 1.123 8.511 1.00 10.64 H new ATOM 0 HD23 LEU A 74 29.215 1.055 7.805 1.00 10.64 H new ATOM 378 N LYS A 75 30.424 -3.224 9.978 1.00 12.77 N ATOM 379 CA LYS A 75 30.691 -4.112 11.101 1.00 14.35 C ATOM 380 C LYS A 75 31.608 -3.425 12.102 1.00 15.85 C ATOM 381 O LYS A 75 31.202 -3.095 13.217 1.00 18.03 O ATOM 382 CB LYS A 75 31.339 -5.410 10.614 1.00 13.13 C ATOM 383 CG LYS A 75 31.822 -6.312 11.740 1.00 13.89 C ATOM 384 CD LYS A 75 31.799 -7.775 11.333 1.00 13.22 C ATOM 385 CE LYS A 75 33.200 -8.368 11.308 1.00 12.71 C ATOM 386 NZ LYS A 75 33.811 -8.408 12.664 1.00 12.72 N ATOM 0 H LYS A 75 30.665 -3.610 9.065 1.00 12.77 H new ATOM 0 HA LYS A 75 29.744 -4.351 11.586 1.00 14.35 H new ATOM 0 HB2 LYS A 75 30.621 -5.958 10.004 1.00 13.13 H new ATOM 0 HB3 LYS A 75 32.183 -5.165 9.969 1.00 13.13 H new ATOM 0 HG2 LYS A 75 32.835 -6.029 12.025 1.00 13.89 H new ATOM 0 HG3 LYS A 75 31.192 -6.168 12.618 1.00 13.89 H new ATOM 0 HD2 LYS A 75 31.177 -8.338 12.029 1.00 13.22 H new ATOM 0 HD3 LYS A 75 31.344 -7.873 10.348 1.00 13.22 H new ATOM 0 HE2 LYS A 75 33.160 -9.377 10.898 1.00 12.71 H new ATOM 0 HE3 LYS A 75 33.831 -7.779 10.643 1.00 12.71 H new ATOM 0 HZ1 LYS A 75 34.576 -9.112 12.679 1.00 12.72 H new ATOM 0 HZ2 LYS A 75 34.198 -7.471 12.898 1.00 12.72 H new ATOM 0 HZ3 LYS A 75 33.087 -8.668 13.364 1.00 12.72 H new ATOM 400 N ASP A 76 32.848 -3.210 11.685 1.00 14.85 N ATOM 401 CA ASP A 76 33.840 -2.557 12.529 1.00 16.29 C ATOM 402 C ASP A 76 33.411 -1.135 12.877 1.00 17.11 C ATOM 403 O ASP A 76 33.765 -0.613 13.934 1.00 18.98 O ATOM 404 CB ASP A 76 35.198 -2.534 11.826 1.00 15.19 C ATOM 405 CG ASP A 76 36.355 -2.645 12.799 1.00 15.02 C ATOM 406 OD1 ASP A 76 36.405 -3.642 13.550 1.00 16.76 O ATOM 407 OD2 ASP A 76 37.211 -1.736 12.811 1.00 13.36 O ATOM 0 H ASP A 76 33.192 -3.479 10.763 1.00 14.85 H new ATOM 0 HA ASP A 76 33.925 -3.127 13.454 1.00 16.29 H new ATOM 0 HB2 ASP A 76 35.248 -3.355 11.111 1.00 15.19 H new ATOM 0 HB3 ASP A 76 35.293 -1.610 11.256 1.00 15.19 H new ATOM 412 N LEU A 77 32.647 -0.511 11.983 1.00 15.93 N ATOM 413 CA LEU A 77 32.175 0.850 12.203 1.00 16.88 C ATOM 414 C LEU A 77 31.201 0.897 13.379 1.00 19.83 C ATOM 415 O LEU A 77 31.401 1.652 14.330 1.00 21.11 O ATOM 416 CB LEU A 77 31.517 1.392 10.926 1.00 15.79 C ATOM 417 CG LEU A 77 30.552 2.570 11.113 1.00 16.84 C ATOM 418 CD1 LEU A 77 31.080 3.546 12.154 1.00 17.01 C ATOM 419 CD2 LEU A 77 30.320 3.279 9.788 1.00 18.04 C ATOM 0 H LEU A 77 32.343 -0.927 11.102 1.00 15.93 H new ATOM 0 HA LEU A 77 33.028 1.483 12.448 1.00 16.88 H new ATOM 0 HB2 LEU A 77 32.305 1.699 10.238 1.00 15.79 H new ATOM 0 HB3 LEU A 77 30.975 0.577 10.447 1.00 15.79 H new ATOM 0 HG LEU A 77 29.600 2.177 11.470 1.00 16.84 H new ATOM 0 HD11 LEU A 77 30.378 4.372 12.268 1.00 17.01 H new ATOM 0 HD12 LEU A 77 31.195 3.033 13.109 1.00 17.01 H new ATOM 0 HD13 LEU A 77 32.047 3.934 11.832 1.00 17.01 H new ATOM 0 HD21 LEU A 77 29.633 4.112 9.937 1.00 18.04 H new ATOM 0 HD22 LEU A 77 31.269 3.655 9.405 1.00 18.04 H new ATOM 0 HD23 LEU A 77 29.891 2.579 9.071 1.00 18.04 H new ATOM 431 N TYR A 78 30.155 0.083 13.311 1.00 20.92 N ATOM 432 CA TYR A 78 29.164 0.034 14.379 1.00 23.73 C ATOM 433 C TYR A 78 29.797 -0.435 15.684 1.00 24.41 C ATOM 434 O TYR A 78 29.274 -0.178 16.767 1.00 25.51 O ATOM 435 CB TYR A 78 28.009 -0.891 13.992 1.00 25.32 C ATOM 436 CG TYR A 78 27.204 -0.394 12.813 1.00 26.07 C ATOM 437 CD1 TYR A 78 26.992 0.981 12.612 1.00 26.55 C ATOM 438 CD2 TYR A 78 26.649 -1.295 11.888 1.00 26.39 C ATOM 439 CE1 TYR A 78 26.249 1.444 11.522 1.00 27.30 C ATOM 440 CE2 TYR A 78 25.905 -0.840 10.796 1.00 27.15 C ATOM 441 CZ TYR A 78 25.709 0.530 10.618 1.00 27.60 C ATOM 442 OH TYR A 78 24.978 0.982 9.544 1.00 28.42 O ATOM 0 H TYR A 78 29.971 -0.549 12.532 1.00 20.92 H new ATOM 0 HA TYR A 78 28.774 1.041 14.527 1.00 23.73 H new ATOM 0 HB2 TYR A 78 28.408 -1.878 13.759 1.00 25.32 H new ATOM 0 HB3 TYR A 78 27.347 -1.009 14.849 1.00 25.32 H new ATOM 0 HD1 TYR A 78 27.410 1.691 13.311 1.00 26.55 H new ATOM 0 HD2 TYR A 78 26.800 -2.356 12.023 1.00 26.39 H new ATOM 0 HE1 TYR A 78 26.094 2.504 11.381 1.00 27.30 H new ATOM 0 HE2 TYR A 78 25.484 -1.545 10.094 1.00 27.15 H new ATOM 0 HH TYR A 78 24.257 1.565 9.861 1.00 28.42 H new ATOM 452 N LYS A 79 30.932 -1.122 15.575 1.00 23.84 N ATOM 453 CA LYS A 79 31.638 -1.620 16.748 1.00 24.41 C ATOM 454 C LYS A 79 32.265 -0.467 17.524 1.00 25.27 C ATOM 455 O LYS A 79 32.394 -0.525 18.747 1.00 25.49 O ATOM 456 CB LYS A 79 32.720 -2.618 16.331 1.00 22.11 C ATOM 457 CG LYS A 79 32.763 -3.868 17.195 1.00 22.70 C ATOM 458 CD LYS A 79 33.509 -4.998 16.504 1.00 22.26 C ATOM 459 CE LYS A 79 32.910 -6.351 16.842 1.00 22.08 C ATOM 460 NZ LYS A 79 32.953 -7.284 15.682 1.00 22.17 N ATOM 0 H LYS A 79 31.380 -1.345 14.686 1.00 23.84 H new ATOM 0 HA LYS A 79 30.919 -2.125 17.393 1.00 24.41 H new ATOM 0 HB2 LYS A 79 32.553 -2.909 15.294 1.00 22.11 H new ATOM 0 HB3 LYS A 79 33.691 -2.125 16.371 1.00 22.11 H new ATOM 0 HG2 LYS A 79 33.247 -3.639 18.145 1.00 22.70 H new ATOM 0 HG3 LYS A 79 31.747 -4.188 17.424 1.00 22.70 H new ATOM 0 HD2 LYS A 79 33.482 -4.847 15.425 1.00 22.26 H new ATOM 0 HD3 LYS A 79 34.557 -4.979 16.802 1.00 22.26 H new ATOM 0 HE2 LYS A 79 33.452 -6.789 17.680 1.00 22.08 H new ATOM 0 HE3 LYS A 79 31.877 -6.220 17.164 1.00 22.08 H new ATOM 0 HZ1 LYS A 79 32.535 -8.196 15.955 1.00 22.17 H new ATOM 0 HZ2 LYS A 79 32.414 -6.879 14.890 1.00 22.17 H new ATOM 0 HZ3 LYS A 79 33.940 -7.430 15.390 1.00 22.17 H new ATOM 474 N LYS A 80 32.654 0.581 16.803 1.00 25.91 N ATOM 475 CA LYS A 80 33.268 1.749 17.420 1.00 27.05 C ATOM 476 C LYS A 80 32.269 2.487 18.306 1.00 29.55 C ATOM 477 O LYS A 80 32.653 3.162 19.262 1.00 30.85 O ATOM 478 CB LYS A 80 33.809 2.694 16.347 1.00 26.87 C ATOM 479 CG LYS A 80 35.188 3.246 16.665 1.00 25.93 C ATOM 480 CD LYS A 80 36.002 3.473 15.400 1.00 24.88 C ATOM 481 CE LYS A 80 36.676 2.194 14.935 1.00 24.87 C ATOM 482 NZ LYS A 80 37.749 2.462 13.938 1.00 24.89 N ATOM 0 H LYS A 80 32.554 0.644 15.790 1.00 25.91 H new ATOM 0 HA LYS A 80 34.094 1.406 18.043 1.00 27.05 H new ATOM 0 HB2 LYS A 80 33.849 2.165 15.395 1.00 26.87 H new ATOM 0 HB3 LYS A 80 33.114 3.524 16.221 1.00 26.87 H new ATOM 0 HG2 LYS A 80 35.089 4.185 17.209 1.00 25.93 H new ATOM 0 HG3 LYS A 80 35.716 2.553 17.320 1.00 25.93 H new ATOM 0 HD2 LYS A 80 35.352 3.851 14.611 1.00 24.88 H new ATOM 0 HD3 LYS A 80 36.757 4.237 15.584 1.00 24.88 H new ATOM 0 HE2 LYS A 80 37.100 1.674 15.794 1.00 24.87 H new ATOM 0 HE3 LYS A 80 35.931 1.530 14.497 1.00 24.87 H new ATOM 0 HZ1 LYS A 80 38.184 1.564 13.646 1.00 24.89 H new ATOM 0 HZ2 LYS A 80 37.340 2.935 13.107 1.00 24.89 H new ATOM 0 HZ3 LYS A 80 38.473 3.075 14.364 1.00 24.89 H new ATOM 496 N THR A 81 30.986 2.358 17.982 1.00 30.35 N ATOM 497 CA THR A 81 29.934 3.016 18.748 1.00 32.79 C ATOM 498 C THR A 81 29.577 2.211 19.992 1.00 34.07 C ATOM 499 O THR A 81 29.784 2.662 21.118 1.00 33.79 O ATOM 500 CB THR A 81 28.687 3.217 17.882 1.00 32.94 C ATOM 501 OG1 THR A 81 28.469 2.094 17.047 1.00 31.19 O ATOM 502 CG2 THR A 81 28.767 4.441 16.995 1.00 33.01 C ATOM 0 H THR A 81 30.650 1.804 17.194 1.00 30.35 H new ATOM 0 HA THR A 81 30.309 3.990 19.063 1.00 32.79 H new ATOM 0 HB THR A 81 27.865 3.350 18.585 1.00 32.94 H new ATOM 0 HG1 THR A 81 28.852 1.295 17.466 1.00 31.19 H new ATOM 0 HG21 THR A 81 27.852 4.525 16.408 1.00 33.01 H new ATOM 0 HG22 THR A 81 28.885 5.331 17.613 1.00 33.01 H new ATOM 0 HG23 THR A 81 29.621 4.349 16.324 1.00 33.01 H new ATOM 566 N ASP B 54 25.087 -6.127 18.855 1.00 31.78 N ATOM 567 CA ASP B 54 24.049 -5.570 17.995 1.00 29.61 C ATOM 568 C ASP B 54 24.663 -4.927 16.755 1.00 27.94 C ATOM 569 O ASP B 54 24.012 -4.815 15.716 1.00 26.64 O ATOM 570 CB ASP B 54 23.221 -4.538 18.762 1.00 29.67 C ATOM 571 CG ASP B 54 22.449 -5.153 19.912 1.00 29.85 C ATOM 572 OD1 ASP B 54 22.863 -6.226 20.398 1.00 30.73 O ATOM 573 OD2 ASP B 54 21.431 -4.560 20.329 1.00 29.38 O ATOM 0 HA ASP B 54 23.397 -6.384 17.678 1.00 29.61 H new ATOM 0 HB2 ASP B 54 23.881 -3.760 19.146 1.00 29.67 H new ATOM 0 HB3 ASP B 54 22.524 -4.055 18.078 1.00 29.67 H new ATOM 578 N ALA B 55 25.918 -4.506 16.874 1.00 28.16 N ATOM 579 CA ALA B 55 26.622 -3.874 15.765 1.00 26.83 C ATOM 580 C ALA B 55 26.647 -4.781 14.540 1.00 25.54 C ATOM 581 O ALA B 55 26.474 -4.322 13.411 1.00 23.85 O ATOM 582 CB ALA B 55 28.038 -3.510 16.183 1.00 28.10 C ATOM 0 H ALA B 55 26.469 -4.591 17.728 1.00 28.16 H new ATOM 0 HA ALA B 55 26.086 -2.964 15.497 1.00 26.83 H new ATOM 0 HB1 ALA B 55 28.554 -3.039 15.347 1.00 28.10 H new ATOM 0 HB2 ALA B 55 28.002 -2.818 17.024 1.00 28.10 H new ATOM 0 HB3 ALA B 55 28.574 -4.412 16.478 1.00 28.10 H new ATOM 588 N GLU B 56 26.864 -6.072 14.769 1.00 26.49 N ATOM 589 CA GLU B 56 26.914 -7.045 13.685 1.00 25.60 C ATOM 590 C GLU B 56 25.554 -7.174 13.007 1.00 24.41 C ATOM 591 O GLU B 56 25.452 -7.115 11.782 1.00 24.72 O ATOM 592 CB GLU B 56 27.365 -8.407 14.214 1.00 27.22 C ATOM 593 CG GLU B 56 28.842 -8.688 13.990 1.00 29.94 C ATOM 594 CD GLU B 56 29.204 -10.139 14.237 1.00 31.44 C ATOM 595 OE1 GLU B 56 28.951 -10.974 13.343 1.00 30.86 O ATOM 596 OE2 GLU B 56 29.739 -10.440 15.325 1.00 33.28 O ATOM 0 H GLU B 56 27.008 -6.469 15.698 1.00 26.49 H new ATOM 0 HA GLU B 56 27.635 -6.693 12.948 1.00 25.60 H new ATOM 0 HB2 GLU B 56 27.151 -8.462 15.281 1.00 27.22 H new ATOM 0 HB3 GLU B 56 26.778 -9.188 13.731 1.00 27.22 H new ATOM 0 HG2 GLU B 56 29.108 -8.420 12.967 1.00 29.94 H new ATOM 0 HG3 GLU B 56 29.433 -8.053 14.650 1.00 29.94 H new ATOM 603 N ARG B 57 24.512 -7.351 13.813 1.00 23.34 N ATOM 604 CA ARG B 57 23.157 -7.489 13.292 1.00 22.47 C ATOM 605 C ARG B 57 22.826 -6.353 12.329 1.00 21.41 C ATOM 606 O ARG B 57 22.038 -6.526 11.397 1.00 21.60 O ATOM 607 CB ARG B 57 22.148 -7.505 14.442 1.00 21.28 C ATOM 608 CG ARG B 57 21.883 -8.892 15.002 1.00 20.85 C ATOM 609 CD ARG B 57 22.919 -9.282 16.044 1.00 21.34 C ATOM 610 NE ARG B 57 22.334 -10.061 17.131 1.00 21.26 N ATOM 611 CZ ARG B 57 23.044 -10.823 17.956 1.00 21.27 C ATOM 612 NH1 ARG B 57 24.360 -10.905 17.817 1.00 21.33 N ATOM 613 NH2 ARG B 57 22.439 -11.502 18.921 1.00 21.21 N ATOM 0 H ARG B 57 24.580 -7.402 14.829 1.00 23.34 H new ATOM 0 HA ARG B 57 23.097 -8.432 12.749 1.00 22.47 H new ATOM 0 HB2 ARG B 57 22.514 -6.863 15.243 1.00 21.28 H new ATOM 0 HB3 ARG B 57 21.208 -7.077 14.095 1.00 21.28 H new ATOM 0 HG2 ARG B 57 20.889 -8.921 15.448 1.00 20.85 H new ATOM 0 HG3 ARG B 57 21.890 -9.620 14.191 1.00 20.85 H new ATOM 0 HD2 ARG B 57 23.711 -9.860 15.569 1.00 21.34 H new ATOM 0 HD3 ARG B 57 23.381 -8.382 16.450 1.00 21.34 H new ATOM 0 HE ARG B 57 21.324 -10.018 17.265 1.00 21.26 H new ATOM 0 HH11 ARG B 57 24.828 -10.383 17.076 1.00 21.33 H new ATOM 0 HH12 ARG B 57 24.904 -11.490 18.451 1.00 21.33 H new ATOM 0 HH21 ARG B 57 21.427 -11.440 19.031 1.00 21.21 H new ATOM 0 HH22 ARG B 57 22.986 -12.086 19.553 1.00 21.21 H new ATOM 627 N LEU B 58 23.429 -5.192 12.561 1.00 20.42 N ATOM 628 CA LEU B 58 23.197 -4.027 11.716 1.00 19.45 C ATOM 629 C LEU B 58 23.965 -4.136 10.406 1.00 18.37 C ATOM 630 O LEU B 58 23.374 -4.232 9.330 1.00 16.36 O ATOM 631 CB LEU B 58 23.604 -2.750 12.452 1.00 19.33 C ATOM 632 CG LEU B 58 22.781 -2.433 13.700 1.00 18.27 C ATOM 633 CD1 LEU B 58 23.602 -1.616 14.685 1.00 17.84 C ATOM 634 CD2 LEU B 58 21.506 -1.694 13.324 1.00 17.17 C ATOM 0 H LEU B 58 24.082 -5.033 13.328 1.00 20.42 H new ATOM 0 HA LEU B 58 22.132 -3.986 11.486 1.00 19.45 H new ATOM 0 HB2 LEU B 58 24.653 -2.832 12.738 1.00 19.33 H new ATOM 0 HB3 LEU B 58 23.527 -1.910 11.761 1.00 19.33 H new ATOM 0 HG LEU B 58 22.504 -3.372 14.179 1.00 18.27 H new ATOM 0 HD11 LEU B 58 23.001 -1.399 15.568 1.00 17.84 H new ATOM 0 HD12 LEU B 58 24.487 -2.181 14.978 1.00 17.84 H new ATOM 0 HD13 LEU B 58 23.908 -0.681 14.216 1.00 17.84 H new ATOM 0 HD21 LEU B 58 20.932 -1.476 14.225 1.00 17.17 H new ATOM 0 HD22 LEU B 58 21.761 -0.761 12.822 1.00 17.17 H new ATOM 0 HD23 LEU B 58 20.910 -2.315 12.655 1.00 17.17 H new ATOM 646 N ALA B 59 25.291 -4.124 10.505 1.00 19.79 N ATOM 647 CA ALA B 59 26.155 -4.219 9.332 1.00 19.03 C ATOM 648 C ALA B 59 25.683 -5.315 8.382 1.00 18.66 C ATOM 649 O ALA B 59 25.911 -5.246 7.174 1.00 18.69 O ATOM 650 CB ALA B 59 27.594 -4.471 9.756 1.00 18.96 C ATOM 0 H ALA B 59 25.793 -4.049 11.390 1.00 19.79 H new ATOM 0 HA ALA B 59 26.103 -3.269 8.799 1.00 19.03 H new ATOM 0 HB1 ALA B 59 28.227 -4.540 8.871 1.00 18.96 H new ATOM 0 HB2 ALA B 59 27.937 -3.650 10.385 1.00 18.96 H new ATOM 0 HB3 ALA B 59 27.650 -5.405 10.316 1.00 18.96 H new ATOM 656 N ASP B 60 25.022 -6.326 8.936 1.00 18.54 N ATOM 657 CA ASP B 60 24.514 -7.435 8.138 1.00 18.13 C ATOM 658 C ASP B 60 23.321 -6.994 7.295 1.00 15.28 C ATOM 659 O ASP B 60 23.339 -7.109 6.070 1.00 14.54 O ATOM 660 CB ASP B 60 24.111 -8.599 9.045 1.00 19.97 C ATOM 661 CG ASP B 60 24.082 -9.924 8.309 1.00 21.38 C ATOM 662 OD1 ASP B 60 24.079 -9.911 7.060 1.00 21.28 O ATOM 663 OD2 ASP B 60 24.059 -10.976 8.981 1.00 22.71 O ATOM 0 H ASP B 60 24.826 -6.400 9.934 1.00 18.54 H new ATOM 0 HA ASP B 60 25.308 -7.764 7.468 1.00 18.13 H new ATOM 0 HB2 ASP B 60 24.810 -8.665 9.879 1.00 19.97 H new ATOM 0 HB3 ASP B 60 23.127 -8.401 9.470 1.00 19.97 H new ATOM 668 N GLU B 61 22.286 -6.487 7.958 1.00 13.84 N ATOM 669 CA GLU B 61 21.088 -6.026 7.266 1.00 11.20 C ATOM 670 C GLU B 61 21.410 -4.849 6.352 1.00 9.29 C ATOM 671 O GLU B 61 20.714 -4.609 5.364 1.00 7.49 O ATOM 672 CB GLU B 61 20.012 -5.624 8.277 1.00 11.46 C ATOM 673 CG GLU B 61 19.524 -6.778 9.138 1.00 13.31 C ATOM 674 CD GLU B 61 18.161 -7.287 8.713 1.00 13.97 C ATOM 675 OE1 GLU B 61 17.169 -6.547 8.888 1.00 14.61 O ATOM 676 OE2 GLU B 61 18.085 -8.425 8.205 1.00 14.05 O ATOM 0 H GLU B 61 22.253 -6.385 8.972 1.00 13.84 H new ATOM 0 HA GLU B 61 20.712 -6.846 6.655 1.00 11.20 H new ATOM 0 HB2 GLU B 61 20.408 -4.841 8.924 1.00 11.46 H new ATOM 0 HB3 GLU B 61 19.164 -5.197 7.742 1.00 11.46 H new ATOM 0 HG2 GLU B 61 20.245 -7.594 9.087 1.00 13.31 H new ATOM 0 HG3 GLU B 61 19.479 -6.456 10.179 1.00 13.31 H new ATOM 683 N GLN B 62 22.468 -4.119 6.687 1.00 9.97 N ATOM 684 CA GLN B 62 22.886 -2.967 5.897 1.00 8.81 C ATOM 685 C GLN B 62 23.571 -3.410 4.610 1.00 9.43 C ATOM 686 O GLN B 62 23.378 -2.807 3.554 1.00 9.46 O ATOM 687 CB GLN B 62 23.827 -2.079 6.711 1.00 8.48 C ATOM 688 CG GLN B 62 23.360 -1.848 8.139 1.00 8.75 C ATOM 689 CD GLN B 62 22.993 -0.403 8.410 1.00 8.33 C ATOM 690 OE1 GLN B 62 23.225 0.476 7.581 1.00 7.94 O ATOM 691 NE2 GLN B 62 22.415 -0.152 9.579 1.00 9.50 N ATOM 0 H GLN B 62 23.053 -4.305 7.502 1.00 9.97 H new ATOM 0 HA GLN B 62 21.996 -2.395 5.634 1.00 8.81 H new ATOM 0 HB2 GLN B 62 24.817 -2.534 6.730 1.00 8.48 H new ATOM 0 HB3 GLN B 62 23.929 -1.116 6.210 1.00 8.48 H new ATOM 0 HG2 GLN B 62 22.496 -2.482 8.341 1.00 8.75 H new ATOM 0 HG3 GLN B 62 24.147 -2.154 8.828 1.00 8.75 H new ATOM 0 HE21 GLN B 62 22.242 -0.913 10.236 1.00 9.50 H new ATOM 0 HE22 GLN B 62 22.144 0.801 9.820 1.00 9.50 H new ATOM 700 N SER B 63 24.373 -4.466 4.702 1.00 10.60 N ATOM 701 CA SER B 63 25.083 -4.986 3.539 1.00 11.89 C ATOM 702 C SER B 63 24.110 -5.618 2.551 1.00 10.88 C ATOM 703 O SER B 63 24.090 -5.267 1.372 1.00 10.36 O ATOM 704 CB SER B 63 26.131 -6.014 3.967 1.00 14.62 C ATOM 705 OG SER B 63 25.649 -6.823 5.025 1.00 14.60 O ATOM 0 H SER B 63 24.547 -4.977 5.567 1.00 10.60 H new ATOM 0 HA SER B 63 25.585 -4.152 3.049 1.00 11.89 H new ATOM 0 HB2 SER B 63 26.397 -6.642 3.117 1.00 14.62 H new ATOM 0 HB3 SER B 63 27.040 -5.502 4.282 1.00 14.62 H new ATOM 0 HG SER B 63 25.865 -6.402 5.883 1.00 14.60 H new ATOM 711 N GLU B 64 23.299 -6.548 3.043 1.00 11.09 N ATOM 712 CA GLU B 64 22.318 -7.225 2.208 1.00 11.27 C ATOM 713 C GLU B 64 21.458 -6.214 1.462 1.00 9.16 C ATOM 714 O GLU B 64 21.069 -6.440 0.316 1.00 9.00 O ATOM 715 CB GLU B 64 21.437 -8.128 3.069 1.00 11.76 C ATOM 716 CG GLU B 64 20.834 -7.420 4.272 1.00 9.90 C ATOM 717 CD GLU B 64 19.351 -7.148 4.105 1.00 10.16 C ATOM 718 OE1 GLU B 64 18.933 -6.812 2.977 1.00 10.07 O ATOM 719 OE2 GLU B 64 18.610 -7.272 5.102 1.00 10.54 O ATOM 0 H GLU B 64 23.303 -6.849 4.017 1.00 11.09 H new ATOM 0 HA GLU B 64 22.847 -7.834 1.475 1.00 11.27 H new ATOM 0 HB2 GLU B 64 20.632 -8.531 2.454 1.00 11.76 H new ATOM 0 HB3 GLU B 64 22.028 -8.976 3.415 1.00 11.76 H new ATOM 0 HG2 GLU B 64 20.990 -8.028 5.163 1.00 9.90 H new ATOM 0 HG3 GLU B 64 21.357 -6.477 4.434 1.00 9.90 H new ATOM 726 N LEU B 65 21.166 -5.096 2.119 1.00 8.13 N ATOM 727 CA LEU B 65 20.354 -4.046 1.520 1.00 6.61 C ATOM 728 C LEU B 65 21.057 -3.442 0.310 1.00 4.83 C ATOM 729 O LEU B 65 20.436 -3.199 -0.725 1.00 4.20 O ATOM 730 CB LEU B 65 20.054 -2.954 2.549 1.00 6.48 C ATOM 731 CG LEU B 65 18.607 -2.458 2.562 1.00 8.19 C ATOM 732 CD1 LEU B 65 18.216 -1.986 3.954 1.00 8.77 C ATOM 733 CD2 LEU B 65 18.420 -1.342 1.546 1.00 7.70 C ATOM 0 H LEU B 65 21.481 -4.895 3.068 1.00 8.13 H new ATOM 0 HA LEU B 65 19.415 -4.490 1.189 1.00 6.61 H new ATOM 0 HB2 LEU B 65 20.301 -3.332 3.541 1.00 6.48 H new ATOM 0 HB3 LEU B 65 20.711 -2.106 2.358 1.00 6.48 H new ATOM 0 HG LEU B 65 17.955 -3.287 2.287 1.00 8.19 H new ATOM 0 HD11 LEU B 65 17.183 -1.637 3.943 1.00 8.77 H new ATOM 0 HD12 LEU B 65 18.312 -2.812 4.659 1.00 8.77 H new ATOM 0 HD13 LEU B 65 18.872 -1.170 4.259 1.00 8.77 H new ATOM 0 HD21 LEU B 65 17.385 -1.000 1.568 1.00 7.70 H new ATOM 0 HD22 LEU B 65 19.082 -0.512 1.792 1.00 7.70 H new ATOM 0 HD23 LEU B 65 18.659 -1.713 0.549 1.00 7.70 H new ATOM 745 N VAL B 66 22.358 -3.202 0.445 1.00 4.53 N ATOM 746 CA VAL B 66 23.146 -2.628 -0.639 1.00 4.43 C ATOM 747 C VAL B 66 23.191 -3.563 -1.839 1.00 4.38 C ATOM 748 O VAL B 66 23.069 -3.129 -2.986 1.00 4.50 O ATOM 749 CB VAL B 66 24.588 -2.324 -0.190 1.00 5.47 C ATOM 750 CG1 VAL B 66 25.378 -1.690 -1.324 1.00 6.69 C ATOM 751 CG2 VAL B 66 24.588 -1.426 1.039 1.00 5.80 C ATOM 0 H VAL B 66 22.888 -3.396 1.295 1.00 4.53 H new ATOM 0 HA VAL B 66 22.657 -1.696 -0.922 1.00 4.43 H new ATOM 0 HB VAL B 66 25.071 -3.264 0.077 1.00 5.47 H new ATOM 0 HG11 VAL B 66 26.394 -1.482 -0.988 1.00 6.69 H new ATOM 0 HG12 VAL B 66 25.409 -2.374 -2.172 1.00 6.69 H new ATOM 0 HG13 VAL B 66 24.898 -0.759 -1.626 1.00 6.69 H new ATOM 0 HG21 VAL B 66 25.615 -1.223 1.341 1.00 5.80 H new ATOM 0 HG22 VAL B 66 24.086 -0.487 0.804 1.00 5.80 H new ATOM 0 HG23 VAL B 66 24.062 -1.924 1.854 1.00 5.80 H new ATOM 761 N LYS B 67 23.365 -4.850 -1.567 1.00 4.65 N ATOM 762 CA LYS B 67 23.428 -5.856 -2.620 1.00 4.94 C ATOM 763 C LYS B 67 22.201 -5.777 -3.522 1.00 5.77 C ATOM 764 O LYS B 67 22.318 -5.556 -4.726 1.00 5.35 O ATOM 765 CB LYS B 67 23.540 -7.255 -2.007 1.00 4.21 C ATOM 766 CG LYS B 67 23.393 -8.383 -3.017 1.00 5.74 C ATOM 767 CD LYS B 67 24.241 -9.584 -2.635 1.00 5.02 C ATOM 768 CE LYS B 67 24.070 -10.725 -3.625 1.00 5.49 C ATOM 769 NZ LYS B 67 23.883 -12.033 -2.937 1.00 5.45 N ATOM 0 H LYS B 67 23.465 -5.223 -0.623 1.00 4.65 H new ATOM 0 HA LYS B 67 24.312 -5.660 -3.226 1.00 4.94 H new ATOM 0 HB2 LYS B 67 24.506 -7.348 -1.511 1.00 4.21 H new ATOM 0 HB3 LYS B 67 22.775 -7.367 -1.238 1.00 4.21 H new ATOM 0 HG2 LYS B 67 22.346 -8.681 -3.082 1.00 5.74 H new ATOM 0 HG3 LYS B 67 23.686 -8.029 -4.005 1.00 5.74 H new ATOM 0 HD2 LYS B 67 25.290 -9.291 -2.593 1.00 5.02 H new ATOM 0 HD3 LYS B 67 23.965 -9.923 -1.637 1.00 5.02 H new ATOM 0 HE2 LYS B 67 23.210 -10.525 -4.265 1.00 5.49 H new ATOM 0 HE3 LYS B 67 24.945 -10.777 -4.273 1.00 5.49 H new ATOM 0 HZ1 LYS B 67 23.770 -12.785 -3.646 1.00 5.45 H new ATOM 0 HZ2 LYS B 67 24.714 -12.236 -2.346 1.00 5.45 H new ATOM 0 HZ3 LYS B 67 23.034 -11.992 -2.338 1.00 5.45 H new ATOM 783 N LYS B 68 21.027 -5.963 -2.932 1.00 7.41 N ATOM 784 CA LYS B 68 19.779 -5.917 -3.687 1.00 8.77 C ATOM 785 C LYS B 68 19.679 -4.632 -4.504 1.00 9.69 C ATOM 786 O LYS B 68 19.104 -4.622 -5.593 1.00 10.85 O ATOM 787 CB LYS B 68 18.584 -6.029 -2.739 1.00 8.69 C ATOM 788 CG LYS B 68 18.060 -7.448 -2.588 1.00 10.96 C ATOM 789 CD LYS B 68 17.167 -7.585 -1.365 1.00 12.23 C ATOM 790 CE LYS B 68 15.845 -8.252 -1.713 1.00 12.53 C ATOM 791 NZ LYS B 68 16.033 -9.424 -2.613 1.00 13.65 N ATOM 0 H LYS B 68 20.912 -6.147 -1.935 1.00 7.41 H new ATOM 0 HA LYS B 68 19.769 -6.761 -4.376 1.00 8.77 H new ATOM 0 HB2 LYS B 68 18.872 -5.650 -1.758 1.00 8.69 H new ATOM 0 HB3 LYS B 68 17.780 -5.390 -3.104 1.00 8.69 H new ATOM 0 HG2 LYS B 68 17.501 -7.728 -3.481 1.00 10.96 H new ATOM 0 HG3 LYS B 68 18.898 -8.140 -2.507 1.00 10.96 H new ATOM 0 HD2 LYS B 68 17.681 -8.169 -0.601 1.00 12.23 H new ATOM 0 HD3 LYS B 68 16.978 -6.600 -0.939 1.00 12.23 H new ATOM 0 HE2 LYS B 68 15.349 -8.574 -0.797 1.00 12.53 H new ATOM 0 HE3 LYS B 68 15.188 -7.527 -2.194 1.00 12.53 H new ATOM 0 HZ1 LYS B 68 15.293 -10.130 -2.423 1.00 13.65 H new ATOM 0 HZ2 LYS B 68 15.970 -9.114 -3.604 1.00 13.65 H new ATOM 0 HZ3 LYS B 68 16.967 -9.847 -2.441 1.00 13.65 H new ATOM 805 N MET B 69 20.241 -3.550 -3.976 1.00 9.40 N ATOM 806 CA MET B 69 20.212 -2.265 -4.663 1.00 10.36 C ATOM 807 C MET B 69 21.158 -2.264 -5.860 1.00 11.21 C ATOM 808 O MET B 69 20.768 -1.907 -6.973 1.00 12.22 O ATOM 809 CB MET B 69 20.587 -1.138 -3.699 1.00 9.64 C ATOM 810 CG MET B 69 20.723 0.219 -4.371 1.00 10.59 C ATOM 811 SD MET B 69 21.424 1.469 -3.277 1.00 10.30 S ATOM 812 CE MET B 69 23.023 0.748 -2.921 1.00 8.57 C ATOM 0 H MET B 69 20.721 -3.538 -3.076 1.00 9.40 H new ATOM 0 HA MET B 69 19.198 -2.100 -5.026 1.00 10.36 H new ATOM 0 HB2 MET B 69 19.830 -1.073 -2.918 1.00 9.64 H new ATOM 0 HB3 MET B 69 21.529 -1.388 -3.210 1.00 9.64 H new ATOM 0 HG2 MET B 69 21.353 0.121 -5.255 1.00 10.59 H new ATOM 0 HG3 MET B 69 19.743 0.550 -4.714 1.00 10.59 H new ATOM 0 HE1 MET B 69 23.770 1.538 -2.844 1.00 8.57 H new ATOM 0 HE2 MET B 69 22.974 0.202 -1.979 1.00 8.57 H new ATOM 0 HE3 MET B 69 23.300 0.064 -3.723 1.00 8.57 H new ATOM 822 N VAL B 70 22.402 -2.664 -5.624 1.00 11.16 N ATOM 823 CA VAL B 70 23.401 -2.706 -6.684 1.00 11.92 C ATOM 824 C VAL B 70 23.188 -3.903 -7.607 1.00 12.61 C ATOM 825 O VAL B 70 23.716 -3.939 -8.719 1.00 11.71 O ATOM 826 CB VAL B 70 24.827 -2.756 -6.106 1.00 12.04 C ATOM 827 CG1 VAL B 70 25.862 -2.804 -7.222 1.00 12.79 C ATOM 828 CG2 VAL B 70 25.069 -1.561 -5.197 1.00 10.81 C ATOM 0 H VAL B 70 22.742 -2.963 -4.710 1.00 11.16 H new ATOM 0 HA VAL B 70 23.283 -1.790 -7.263 1.00 11.92 H new ATOM 0 HB VAL B 70 24.928 -3.666 -5.515 1.00 12.04 H new ATOM 0 HG11 VAL B 70 26.862 -2.839 -6.790 1.00 12.79 H new ATOM 0 HG12 VAL B 70 25.699 -3.693 -7.831 1.00 12.79 H new ATOM 0 HG13 VAL B 70 25.767 -1.915 -7.845 1.00 12.79 H new ATOM 0 HG21 VAL B 70 26.081 -1.609 -4.795 1.00 10.81 H new ATOM 0 HG22 VAL B 70 24.948 -0.640 -5.767 1.00 10.81 H new ATOM 0 HG23 VAL B 70 24.352 -1.577 -4.377 1.00 10.81 H new ATOM 838 N PHE B 71 22.410 -4.879 -7.147 1.00 14.43 N ATOM 839 CA PHE B 71 22.132 -6.067 -7.943 1.00 15.35 C ATOM 840 C PHE B 71 21.269 -5.718 -9.150 1.00 17.57 C ATOM 841 O PHE B 71 21.624 -6.020 -10.289 1.00 17.89 O ATOM 842 CB PHE B 71 21.434 -7.126 -7.090 1.00 16.38 C ATOM 843 CG PHE B 71 21.067 -8.364 -7.855 1.00 16.57 C ATOM 844 CD1 PHE B 71 19.881 -8.418 -8.600 1.00 16.67 C ATOM 845 CD2 PHE B 71 21.906 -9.487 -7.838 1.00 17.01 C ATOM 846 CE1 PHE B 71 19.538 -9.570 -9.314 1.00 16.88 C ATOM 847 CE2 PHE B 71 21.569 -10.642 -8.549 1.00 17.55 C ATOM 848 CZ PHE B 71 20.383 -10.683 -9.289 1.00 17.33 C ATOM 0 H PHE B 71 21.963 -4.869 -6.230 1.00 14.43 H new ATOM 0 HA PHE B 71 23.081 -6.468 -8.300 1.00 15.35 H new ATOM 0 HB2 PHE B 71 22.086 -7.401 -6.261 1.00 16.38 H new ATOM 0 HB3 PHE B 71 20.531 -6.695 -6.657 1.00 16.38 H new ATOM 0 HD1 PHE B 71 19.225 -7.560 -8.623 1.00 16.67 H new ATOM 0 HD2 PHE B 71 22.823 -9.459 -7.269 1.00 17.01 H new ATOM 0 HE1 PHE B 71 18.621 -9.600 -9.884 1.00 16.88 H new ATOM 0 HE2 PHE B 71 22.223 -11.501 -8.527 1.00 17.55 H new ATOM 0 HZ PHE B 71 20.120 -11.574 -9.840 1.00 17.33 H new ATOM 858 N ASP B 72 20.134 -5.076 -8.891 1.00 19.32 N ATOM 859 CA ASP B 72 19.220 -4.681 -9.957 1.00 21.71 C ATOM 860 C ASP B 72 19.894 -3.703 -10.914 1.00 21.81 C ATOM 861 O ASP B 72 19.761 -3.819 -12.132 1.00 22.27 O ATOM 862 CB ASP B 72 17.957 -4.050 -9.369 1.00 23.43 C ATOM 863 CG ASP B 72 16.888 -3.811 -10.418 1.00 24.52 C ATOM 864 OD1 ASP B 72 16.957 -2.775 -11.111 1.00 23.47 O ATOM 865 OD2 ASP B 72 15.980 -4.660 -10.543 1.00 26.55 O ATOM 0 H ASP B 72 19.826 -4.819 -7.953 1.00 19.32 H new ATOM 0 HA ASP B 72 18.943 -5.576 -10.514 1.00 21.71 H new ATOM 0 HB2 ASP B 72 17.559 -4.700 -8.590 1.00 23.43 H new ATOM 0 HB3 ASP B 72 18.214 -3.103 -8.894 1.00 23.43 H new ATOM 870 N THR B 73 20.618 -2.740 -10.353 1.00 21.70 N ATOM 871 CA THR B 73 21.314 -1.741 -11.156 1.00 22.19 C ATOM 872 C THR B 73 22.216 -2.402 -12.194 1.00 23.35 C ATOM 873 O THR B 73 22.196 -2.040 -13.369 1.00 25.34 O ATOM 874 CB THR B 73 22.139 -0.821 -10.254 1.00 19.99 C ATOM 875 OG1 THR B 73 21.293 -0.077 -9.397 1.00 20.80 O ATOM 876 CG2 THR B 73 22.996 0.163 -11.023 1.00 18.85 C ATOM 0 H THR B 73 20.738 -2.630 -9.346 1.00 21.70 H new ATOM 0 HA THR B 73 20.566 -1.149 -11.683 1.00 22.19 H new ATOM 0 HB THR B 73 22.796 -1.481 -9.688 1.00 19.99 H new ATOM 0 HG1 THR B 73 21.085 -0.608 -8.600 1.00 20.80 H new ATOM 0 HG21 THR B 73 23.554 0.784 -10.323 1.00 18.85 H new ATOM 0 HG22 THR B 73 23.693 -0.382 -11.660 1.00 18.85 H new ATOM 0 HG23 THR B 73 22.358 0.796 -11.641 1.00 18.85 H new ATOM 884 N LEU B 74 23.006 -3.375 -11.750 1.00 22.17 N ATOM 885 CA LEU B 74 23.915 -4.088 -12.642 1.00 23.17 C ATOM 886 C LEU B 74 23.145 -4.776 -13.765 1.00 24.06 C ATOM 887 O LEU B 74 23.586 -4.789 -14.914 1.00 25.16 O ATOM 888 CB LEU B 74 24.730 -5.118 -11.859 1.00 22.54 C ATOM 889 CG LEU B 74 25.761 -4.530 -10.893 1.00 20.38 C ATOM 890 CD1 LEU B 74 26.111 -5.537 -9.809 1.00 20.22 C ATOM 891 CD2 LEU B 74 27.010 -4.099 -11.647 1.00 20.18 C ATOM 0 H LEU B 74 23.035 -3.688 -10.780 1.00 22.17 H new ATOM 0 HA LEU B 74 24.595 -3.360 -13.085 1.00 23.17 H new ATOM 0 HB2 LEU B 74 24.043 -5.748 -11.294 1.00 22.54 H new ATOM 0 HB3 LEU B 74 25.247 -5.765 -12.568 1.00 22.54 H new ATOM 0 HG LEU B 74 25.326 -3.651 -10.416 1.00 20.38 H new ATOM 0 HD11 LEU B 74 26.845 -5.102 -9.131 1.00 20.22 H new ATOM 0 HD12 LEU B 74 25.212 -5.798 -9.251 1.00 20.22 H new ATOM 0 HD13 LEU B 74 26.527 -6.434 -10.267 1.00 20.22 H new ATOM 0 HD21 LEU B 74 27.733 -3.683 -10.945 1.00 20.18 H new ATOM 0 HD22 LEU B 74 27.447 -4.962 -12.150 1.00 20.18 H new ATOM 0 HD23 LEU B 74 26.746 -3.343 -12.387 1.00 20.18 H new ATOM 903 N LYS B 75 21.991 -5.343 -13.428 1.00 23.73 N ATOM 904 CA LYS B 75 21.161 -6.027 -14.413 1.00 24.59 C ATOM 905 C LYS B 75 20.931 -5.137 -15.629 1.00 25.26 C ATOM 906 O LYS B 75 21.068 -5.578 -16.770 1.00 25.64 O ATOM 907 CB LYS B 75 19.818 -6.427 -13.797 1.00 24.02 C ATOM 908 CG LYS B 75 18.955 -7.276 -14.716 1.00 24.22 C ATOM 909 CD LYS B 75 18.991 -8.743 -14.317 1.00 22.98 C ATOM 910 CE LYS B 75 18.011 -9.566 -15.137 1.00 24.20 C ATOM 911 NZ LYS B 75 18.688 -10.300 -16.240 1.00 24.20 N ATOM 0 H LYS B 75 21.610 -5.342 -12.482 1.00 23.73 H new ATOM 0 HA LYS B 75 21.684 -6.929 -14.732 1.00 24.59 H new ATOM 0 HB2 LYS B 75 20.001 -6.977 -12.874 1.00 24.02 H new ATOM 0 HB3 LYS B 75 19.269 -5.525 -13.527 1.00 24.02 H new ATOM 0 HG2 LYS B 75 17.927 -6.915 -14.687 1.00 24.22 H new ATOM 0 HG3 LYS B 75 19.302 -7.169 -15.744 1.00 24.22 H new ATOM 0 HD2 LYS B 75 19.999 -9.134 -14.453 1.00 22.98 H new ATOM 0 HD3 LYS B 75 18.752 -8.839 -13.258 1.00 22.98 H new ATOM 0 HE2 LYS B 75 17.502 -10.277 -14.487 1.00 24.20 H new ATOM 0 HE3 LYS B 75 17.246 -8.910 -15.553 1.00 24.20 H new ATOM 0 HZ1 LYS B 75 17.985 -10.849 -16.775 1.00 24.20 H new ATOM 0 HZ2 LYS B 75 19.153 -9.620 -16.875 1.00 24.20 H new ATOM 0 HZ3 LYS B 75 19.400 -10.945 -15.842 1.00 24.20 H new ATOM 925 N ASP B 76 20.591 -3.882 -15.372 1.00 25.41 N ATOM 926 CA ASP B 76 20.351 -2.920 -16.437 1.00 26.04 C ATOM 927 C ASP B 76 21.664 -2.505 -17.094 1.00 26.69 C ATOM 928 O ASP B 76 21.689 -2.095 -18.254 1.00 27.56 O ATOM 929 CB ASP B 76 19.631 -1.687 -15.886 1.00 25.30 C ATOM 930 CG ASP B 76 18.364 -2.045 -15.136 1.00 26.62 C ATOM 931 OD1 ASP B 76 18.424 -2.934 -14.261 1.00 26.69 O ATOM 932 OD2 ASP B 76 17.312 -1.436 -15.423 1.00 27.76 O ATOM 0 H ASP B 76 20.475 -3.506 -14.431 1.00 25.41 H new ATOM 0 HA ASP B 76 19.720 -3.394 -17.189 1.00 26.04 H new ATOM 0 HB2 ASP B 76 20.303 -1.144 -15.221 1.00 25.30 H new ATOM 0 HB3 ASP B 76 19.386 -1.015 -16.708 1.00 25.30 H new ATOM 937 N LEU B 77 22.755 -2.616 -16.340 1.00 26.31 N ATOM 938 CA LEU B 77 24.075 -2.254 -16.840 1.00 26.93 C ATOM 939 C LEU B 77 24.580 -3.278 -17.852 1.00 27.71 C ATOM 940 O LEU B 77 25.018 -2.922 -18.947 1.00 28.85 O ATOM 941 CB LEU B 77 25.066 -2.148 -15.678 1.00 26.46 C ATOM 942 CG LEU B 77 25.025 -0.830 -14.904 1.00 26.11 C ATOM 943 CD1 LEU B 77 25.822 -0.947 -13.613 1.00 23.37 C ATOM 944 CD2 LEU B 77 25.558 0.308 -15.761 1.00 27.19 C ATOM 0 H LEU B 77 22.749 -2.955 -15.378 1.00 26.31 H new ATOM 0 HA LEU B 77 23.993 -1.288 -17.338 1.00 26.93 H new ATOM 0 HB2 LEU B 77 24.874 -2.965 -14.983 1.00 26.46 H new ATOM 0 HB3 LEU B 77 26.074 -2.291 -16.067 1.00 26.46 H new ATOM 0 HG LEU B 77 23.988 -0.611 -14.649 1.00 26.11 H new ATOM 0 HD11 LEU B 77 25.783 -0.000 -13.074 1.00 23.37 H new ATOM 0 HD12 LEU B 77 25.396 -1.736 -12.993 1.00 23.37 H new ATOM 0 HD13 LEU B 77 26.859 -1.189 -13.846 1.00 23.37 H new ATOM 0 HD21 LEU B 77 25.521 1.238 -15.194 1.00 27.19 H new ATOM 0 HD22 LEU B 77 26.589 0.097 -16.046 1.00 27.19 H new ATOM 0 HD23 LEU B 77 24.946 0.405 -16.658 1.00 27.19 H new ATOM 956 N TYR B 78 24.524 -4.552 -17.475 1.00 27.11 N ATOM 957 CA TYR B 78 24.984 -5.630 -18.343 1.00 27.77 C ATOM 958 C TYR B 78 24.067 -5.806 -19.550 1.00 30.71 C ATOM 959 O TYR B 78 24.512 -5.724 -20.695 1.00 31.44 O ATOM 960 CB TYR B 78 25.069 -6.940 -17.559 1.00 27.30 C ATOM 961 CG TYR B 78 26.405 -7.158 -16.884 1.00 25.04 C ATOM 962 CD1 TYR B 78 27.595 -7.168 -17.632 1.00 24.52 C ATOM 963 CD2 TYR B 78 26.489 -7.355 -15.496 1.00 23.59 C ATOM 964 CE1 TYR B 78 28.833 -7.367 -17.013 1.00 22.44 C ATOM 965 CE2 TYR B 78 27.723 -7.555 -14.869 1.00 21.64 C ATOM 966 CZ TYR B 78 28.891 -7.561 -15.633 1.00 20.97 C ATOM 967 OH TYR B 78 30.107 -7.758 -15.021 1.00 19.06 O ATOM 0 H TYR B 78 24.164 -4.863 -16.573 1.00 27.11 H new ATOM 0 HA TYR B 78 25.975 -5.362 -18.708 1.00 27.77 H new ATOM 0 HB2 TYR B 78 24.284 -6.953 -16.803 1.00 27.30 H new ATOM 0 HB3 TYR B 78 24.874 -7.772 -18.236 1.00 27.30 H new ATOM 0 HD1 TYR B 78 27.553 -7.020 -18.701 1.00 24.52 H new ATOM 0 HD2 TYR B 78 25.586 -7.352 -14.903 1.00 23.59 H new ATOM 0 HE1 TYR B 78 29.739 -7.370 -17.600 1.00 22.44 H new ATOM 0 HE2 TYR B 78 27.772 -7.704 -13.800 1.00 21.64 H new ATOM 0 HH TYR B 78 29.973 -7.876 -14.057 1.00 19.06 H new ATOM 977 N LYS B 79 22.786 -6.051 -19.288 1.00 32.51 N ATOM 978 CA LYS B 79 21.809 -6.244 -20.357 1.00 35.37 C ATOM 979 C LYS B 79 21.951 -5.172 -21.436 1.00 36.07 C ATOM 980 O LYS B 79 21.692 -5.424 -22.613 1.00 37.05 O ATOM 981 CB LYS B 79 20.387 -6.229 -19.787 1.00 36.72 C ATOM 982 CG LYS B 79 19.898 -4.844 -19.400 1.00 37.35 C ATOM 983 CD LYS B 79 18.438 -4.866 -18.980 1.00 39.79 C ATOM 984 CE LYS B 79 17.596 -3.939 -19.843 1.00 41.32 C ATOM 985 NZ LYS B 79 17.369 -2.622 -19.187 1.00 42.43 N ATOM 0 H LYS B 79 22.400 -6.121 -18.346 1.00 32.51 H new ATOM 0 HA LYS B 79 22.001 -7.215 -20.814 1.00 35.37 H new ATOM 0 HB2 LYS B 79 19.705 -6.652 -20.525 1.00 36.72 H new ATOM 0 HB3 LYS B 79 20.350 -6.876 -18.910 1.00 36.72 H new ATOM 0 HG2 LYS B 79 20.507 -4.457 -18.583 1.00 37.35 H new ATOM 0 HG3 LYS B 79 20.025 -4.164 -20.242 1.00 37.35 H new ATOM 0 HD2 LYS B 79 18.053 -5.883 -19.053 1.00 39.79 H new ATOM 0 HD3 LYS B 79 18.354 -4.568 -17.935 1.00 39.79 H new ATOM 0 HE2 LYS B 79 18.092 -3.786 -20.802 1.00 41.32 H new ATOM 0 HE3 LYS B 79 16.636 -4.411 -20.052 1.00 41.32 H new ATOM 0 HZ1 LYS B 79 16.791 -2.020 -19.808 1.00 42.43 H new ATOM 0 HZ2 LYS B 79 16.873 -2.765 -18.284 1.00 42.43 H new ATOM 0 HZ3 LYS B 79 18.284 -2.160 -19.010 1.00 42.43 H new ATOM 1103 N ALA C 55 27.691 13.216 18.871 1.00 32.48 N ATOM 1104 CA ALA C 55 27.107 11.959 18.423 1.00 30.28 C ATOM 1105 C ALA C 55 26.325 12.156 17.130 1.00 28.10 C ATOM 1106 O ALA C 55 26.396 11.332 16.218 1.00 26.26 O ATOM 1107 CB ALA C 55 26.209 11.378 19.505 1.00 30.43 C ATOM 0 HA ALA C 55 27.916 11.256 18.227 1.00 30.28 H new ATOM 0 HB1 ALA C 55 25.780 10.439 19.156 1.00 30.43 H new ATOM 0 HB2 ALA C 55 26.795 11.196 20.406 1.00 30.43 H new ATOM 0 HB3 ALA C 55 25.408 12.082 19.730 1.00 30.43 H new ATOM 1113 N GLU C 56 25.583 13.257 17.056 1.00 28.42 N ATOM 1114 CA GLU C 56 24.792 13.566 15.870 1.00 26.58 C ATOM 1115 C GLU C 56 25.699 13.885 14.689 1.00 25.85 C ATOM 1116 O GLU C 56 25.589 13.277 13.624 1.00 25.23 O ATOM 1117 CB GLU C 56 23.856 14.745 16.145 1.00 27.58 C ATOM 1118 CG GLU C 56 22.727 14.873 15.134 1.00 27.28 C ATOM 1119 CD GLU C 56 22.064 16.235 15.172 1.00 27.24 C ATOM 1120 OE1 GLU C 56 22.763 17.228 15.460 1.00 28.05 O ATOM 1121 OE2 GLU C 56 20.844 16.308 14.914 1.00 26.50 O ATOM 0 H GLU C 56 25.513 13.949 17.802 1.00 28.42 H new ATOM 0 HA GLU C 56 24.192 12.690 15.622 1.00 26.58 H new ATOM 0 HB2 GLU C 56 23.429 14.635 17.142 1.00 27.58 H new ATOM 0 HB3 GLU C 56 24.437 15.667 16.147 1.00 27.58 H new ATOM 0 HG2 GLU C 56 23.118 14.691 14.133 1.00 27.28 H new ATOM 0 HG3 GLU C 56 21.980 14.104 15.329 1.00 27.28 H new ATOM 1128 N ARG C 57 26.600 14.838 14.889 1.00 26.08 N ATOM 1129 CA ARG C 57 27.536 15.236 13.845 1.00 25.51 C ATOM 1130 C ARG C 57 28.414 14.058 13.441 1.00 25.25 C ATOM 1131 O ARG C 57 28.683 13.845 12.259 1.00 25.08 O ATOM 1132 CB ARG C 57 28.407 16.400 14.324 1.00 25.66 C ATOM 1133 CG ARG C 57 29.235 17.036 13.220 1.00 26.33 C ATOM 1134 CD ARG C 57 30.277 17.988 13.785 1.00 26.74 C ATOM 1135 NE ARG C 57 31.460 17.281 14.266 1.00 28.02 N ATOM 1136 CZ ARG C 57 32.384 17.837 15.043 1.00 29.14 C ATOM 1137 NH1 ARG C 57 32.262 19.103 15.421 1.00 29.24 N ATOM 1138 NH2 ARG C 57 33.431 17.129 15.443 1.00 30.29 N ATOM 0 H ARG C 57 26.703 15.350 15.765 1.00 26.08 H new ATOM 0 HA ARG C 57 26.964 15.561 12.976 1.00 25.51 H new ATOM 0 HB2 ARG C 57 27.768 17.161 14.771 1.00 25.66 H new ATOM 0 HB3 ARG C 57 29.075 16.044 15.108 1.00 25.66 H new ATOM 0 HG2 ARG C 57 29.729 16.257 12.639 1.00 26.33 H new ATOM 0 HG3 ARG C 57 28.579 17.576 12.537 1.00 26.33 H new ATOM 0 HD2 ARG C 57 30.570 18.703 13.016 1.00 26.74 H new ATOM 0 HD3 ARG C 57 29.839 18.561 14.603 1.00 26.74 H new ATOM 0 HE ARG C 57 31.584 16.307 13.991 1.00 28.02 H new ATOM 0 HH11 ARG C 57 31.458 19.651 15.115 1.00 29.24 H new ATOM 0 HH12 ARG C 57 32.972 19.528 16.017 1.00 29.24 H new ATOM 0 HH21 ARG C 57 33.529 16.156 15.154 1.00 30.29 H new ATOM 0 HH22 ARG C 57 34.139 17.558 16.039 1.00 30.29 H new ATOM 1152 N LEU C 58 28.853 13.294 14.435 1.00 25.35 N ATOM 1153 CA LEU C 58 29.696 12.130 14.193 1.00 25.28 C ATOM 1154 C LEU C 58 28.986 11.134 13.283 1.00 23.80 C ATOM 1155 O LEU C 58 29.544 10.685 12.282 1.00 23.17 O ATOM 1156 CB LEU C 58 30.063 11.456 15.516 1.00 24.95 C ATOM 1157 CG LEU C 58 31.250 12.075 16.253 1.00 25.27 C ATOM 1158 CD1 LEU C 58 31.566 11.286 17.513 1.00 25.16 C ATOM 1159 CD2 LEU C 58 32.467 12.138 15.343 1.00 25.04 C ATOM 0 H LEU C 58 28.638 13.461 15.418 1.00 25.35 H new ATOM 0 HA LEU C 58 30.609 12.465 13.700 1.00 25.28 H new ATOM 0 HB2 LEU C 58 29.194 11.483 16.173 1.00 24.95 H new ATOM 0 HB3 LEU C 58 30.283 10.406 15.322 1.00 24.95 H new ATOM 0 HG LEU C 58 30.984 13.091 16.543 1.00 25.27 H new ATOM 0 HD11 LEU C 58 32.414 11.742 18.024 1.00 25.16 H new ATOM 0 HD12 LEU C 58 30.698 11.292 18.173 1.00 25.16 H new ATOM 0 HD13 LEU C 58 31.813 10.258 17.246 1.00 25.16 H new ATOM 0 HD21 LEU C 58 33.303 12.581 15.884 1.00 25.04 H new ATOM 0 HD22 LEU C 58 32.735 11.131 15.023 1.00 25.04 H new ATOM 0 HD23 LEU C 58 32.236 12.747 14.469 1.00 25.04 H new ATOM 1171 N ALA C 59 27.752 10.794 13.639 1.00 23.44 N ATOM 1172 CA ALA C 59 26.962 9.854 12.854 1.00 22.15 C ATOM 1173 C ALA C 59 26.931 10.265 11.387 1.00 22.42 C ATOM 1174 O ALA C 59 26.883 9.418 10.496 1.00 22.06 O ATOM 1175 CB ALA C 59 25.549 9.757 13.410 1.00 20.27 C ATOM 0 H ALA C 59 27.278 11.156 14.466 1.00 23.44 H new ATOM 0 HA ALA C 59 27.431 8.873 12.922 1.00 22.15 H new ATOM 0 HB1 ALA C 59 24.971 9.051 12.813 1.00 20.27 H new ATOM 0 HB2 ALA C 59 25.587 9.412 14.443 1.00 20.27 H new ATOM 0 HB3 ALA C 59 25.075 10.738 13.372 1.00 20.27 H new ATOM 1181 N ASP C 60 26.962 11.572 11.144 1.00 23.35 N ATOM 1182 CA ASP C 60 26.943 12.096 9.784 1.00 24.01 C ATOM 1183 C ASP C 60 28.310 11.935 9.131 1.00 24.21 C ATOM 1184 O ASP C 60 28.415 11.776 7.914 1.00 24.58 O ATOM 1185 CB ASP C 60 26.534 13.569 9.786 1.00 25.73 C ATOM 1186 CG ASP C 60 26.462 14.151 8.389 1.00 25.49 C ATOM 1187 OD1 ASP C 60 26.179 13.388 7.442 1.00 24.28 O ATOM 1188 OD2 ASP C 60 26.689 15.370 8.241 1.00 26.61 O ATOM 0 H ASP C 60 27.000 12.286 11.871 1.00 23.35 H new ATOM 0 HA ASP C 60 26.211 11.529 9.208 1.00 24.01 H new ATOM 0 HB2 ASP C 60 25.563 13.673 10.270 1.00 25.73 H new ATOM 0 HB3 ASP C 60 27.248 14.141 10.378 1.00 25.73 H new ATOM 1193 N GLU C 61 29.357 11.973 9.949 1.00 24.04 N ATOM 1194 CA GLU C 61 30.719 11.828 9.454 1.00 24.25 C ATOM 1195 C GLU C 61 30.995 10.383 9.058 1.00 22.60 C ATOM 1196 O GLU C 61 31.451 10.106 7.948 1.00 22.75 O ATOM 1197 CB GLU C 61 31.725 12.277 10.515 1.00 24.96 C ATOM 1198 CG GLU C 61 33.128 12.486 9.971 1.00 24.99 C ATOM 1199 CD GLU C 61 34.162 12.643 11.070 1.00 26.37 C ATOM 1200 OE1 GLU C 61 33.838 13.263 12.105 1.00 27.76 O ATOM 1201 OE2 GLU C 61 35.293 12.145 10.895 1.00 26.26 O ATOM 0 H GLU C 61 29.287 12.103 10.958 1.00 24.04 H new ATOM 0 HA GLU C 61 30.829 12.460 8.573 1.00 24.25 H new ATOM 0 HB2 GLU C 61 31.376 13.207 10.965 1.00 24.96 H new ATOM 0 HB3 GLU C 61 31.759 11.532 11.310 1.00 24.96 H new ATOM 0 HG2 GLU C 61 33.399 11.639 9.340 1.00 24.99 H new ATOM 0 HG3 GLU C 61 33.140 13.372 9.337 1.00 24.99 H new ATOM 1208 N GLN C 62 30.709 9.465 9.972 1.00 21.27 N ATOM 1209 CA GLN C 62 30.919 8.046 9.721 1.00 19.80 C ATOM 1210 C GLN C 62 30.194 7.614 8.451 1.00 17.74 C ATOM 1211 O GLN C 62 30.783 6.988 7.570 1.00 17.80 O ATOM 1212 CB GLN C 62 30.433 7.214 10.910 1.00 18.66 C ATOM 1213 CG GLN C 62 30.933 7.719 12.254 1.00 20.39 C ATOM 1214 CD GLN C 62 32.442 7.864 12.299 1.00 21.16 C ATOM 1215 OE1 GLN C 62 33.146 7.438 11.384 1.00 20.60 O ATOM 1216 NE2 GLN C 62 32.946 8.469 13.370 1.00 22.66 N ATOM 0 H GLN C 62 30.331 9.678 10.895 1.00 21.27 H new ATOM 0 HA GLN C 62 31.988 7.878 9.588 1.00 19.80 H new ATOM 0 HB2 GLN C 62 29.343 7.208 10.917 1.00 18.66 H new ATOM 0 HB3 GLN C 62 30.757 6.182 10.776 1.00 18.66 H new ATOM 0 HG2 GLN C 62 30.473 8.683 12.470 1.00 20.39 H new ATOM 0 HG3 GLN C 62 30.614 7.031 13.037 1.00 20.39 H new ATOM 0 HE21 GLN C 62 32.324 8.807 14.105 1.00 22.66 H new ATOM 0 HE22 GLN C 62 33.954 8.596 13.457 1.00 22.66 H new ATOM 1225 N SER C 63 28.914 7.960 8.361 1.00 16.24 N ATOM 1226 CA SER C 63 28.111 7.614 7.196 1.00 14.23 C ATOM 1227 C SER C 63 28.755 8.152 5.923 1.00 13.07 C ATOM 1228 O SER C 63 28.793 7.471 4.898 1.00 11.70 O ATOM 1229 CB SER C 63 26.693 8.171 7.340 1.00 13.83 C ATOM 1230 OG SER C 63 26.716 9.564 7.597 1.00 14.03 O ATOM 0 H SER C 63 28.412 8.479 9.081 1.00 16.24 H new ATOM 0 HA SER C 63 28.057 6.527 7.129 1.00 14.23 H new ATOM 0 HB2 SER C 63 26.128 7.975 6.429 1.00 13.83 H new ATOM 0 HB3 SER C 63 26.178 7.657 8.151 1.00 13.83 H new ATOM 0 HG SER C 63 26.931 9.719 8.541 1.00 14.03 H new ATOM 1236 N GLU C 64 29.266 9.377 5.999 1.00 13.88 N ATOM 1237 CA GLU C 64 29.916 10.004 4.855 1.00 13.40 C ATOM 1238 C GLU C 64 31.116 9.180 4.406 1.00 13.29 C ATOM 1239 O GLU C 64 31.422 9.105 3.216 1.00 13.77 O ATOM 1240 CB GLU C 64 30.359 11.426 5.208 1.00 14.98 C ATOM 1241 CG GLU C 64 30.860 12.222 4.014 1.00 17.43 C ATOM 1242 CD GLU C 64 32.049 13.098 4.356 1.00 19.75 C ATOM 1243 OE1 GLU C 64 32.959 12.616 5.064 1.00 21.08 O ATOM 1244 OE2 GLU C 64 32.072 14.267 3.915 1.00 20.45 O ATOM 0 H GLU C 64 29.242 9.954 6.840 1.00 13.88 H new ATOM 0 HA GLU C 64 29.199 10.052 4.036 1.00 13.40 H new ATOM 0 HB2 GLU C 64 29.522 11.956 5.662 1.00 14.98 H new ATOM 0 HB3 GLU C 64 31.149 11.376 5.958 1.00 14.98 H new ATOM 0 HG2 GLU C 64 31.137 11.535 3.214 1.00 17.43 H new ATOM 0 HG3 GLU C 64 30.052 12.846 3.632 1.00 17.43 H new ATOM 1251 N LEU C 65 31.788 8.552 5.364 1.00 12.99 N ATOM 1252 CA LEU C 65 32.945 7.724 5.061 1.00 12.85 C ATOM 1253 C LEU C 65 32.507 6.466 4.319 1.00 12.48 C ATOM 1254 O LEU C 65 33.256 5.908 3.517 1.00 13.77 O ATOM 1255 CB LEU C 65 33.686 7.348 6.346 1.00 12.20 C ATOM 1256 CG LEU C 65 34.286 8.528 7.115 1.00 12.54 C ATOM 1257 CD1 LEU C 65 34.308 8.239 8.607 1.00 13.14 C ATOM 1258 CD2 LEU C 65 35.688 8.834 6.609 1.00 14.50 C ATOM 0 H LEU C 65 31.551 8.601 6.355 1.00 12.99 H new ATOM 0 HA LEU C 65 33.623 8.292 4.425 1.00 12.85 H new ATOM 0 HB2 LEU C 65 32.997 6.818 7.003 1.00 12.20 H new ATOM 0 HB3 LEU C 65 34.487 6.652 6.096 1.00 12.20 H new ATOM 0 HG LEU C 65 33.659 9.404 6.946 1.00 12.54 H new ATOM 0 HD11 LEU C 65 34.738 9.090 9.136 1.00 13.14 H new ATOM 0 HD12 LEU C 65 33.291 8.069 8.960 1.00 13.14 H new ATOM 0 HD13 LEU C 65 34.911 7.351 8.797 1.00 13.14 H new ATOM 0 HD21 LEU C 65 36.100 9.675 7.166 1.00 14.50 H new ATOM 0 HD22 LEU C 65 36.324 7.960 6.748 1.00 14.50 H new ATOM 0 HD23 LEU C 65 35.645 9.086 5.549 1.00 14.50 H new ATOM 1270 N VAL C 66 31.280 6.032 4.591 1.00 10.81 N ATOM 1271 CA VAL C 66 30.724 4.850 3.952 1.00 10.40 C ATOM 1272 C VAL C 66 30.199 5.180 2.559 1.00 10.20 C ATOM 1273 O VAL C 66 30.466 4.459 1.598 1.00 10.71 O ATOM 1274 CB VAL C 66 29.584 4.242 4.789 1.00 10.63 C ATOM 1275 CG1 VAL C 66 29.030 2.996 4.115 1.00 10.39 C ATOM 1276 CG2 VAL C 66 30.066 3.926 6.197 1.00 11.01 C ATOM 0 H VAL C 66 30.651 6.486 5.254 1.00 10.81 H new ATOM 0 HA VAL C 66 31.531 4.121 3.872 1.00 10.40 H new ATOM 0 HB VAL C 66 28.780 4.975 4.860 1.00 10.63 H new ATOM 0 HG11 VAL C 66 28.225 2.581 4.722 1.00 10.39 H new ATOM 0 HG12 VAL C 66 28.644 3.257 3.130 1.00 10.39 H new ATOM 0 HG13 VAL C 66 29.823 2.256 4.010 1.00 10.39 H new ATOM 0 HG21 VAL C 66 29.247 3.497 6.774 1.00 11.01 H new ATOM 0 HG22 VAL C 66 30.888 3.212 6.148 1.00 11.01 H new ATOM 0 HG23 VAL C 66 30.408 4.842 6.678 1.00 11.01 H new ATOM 1286 N LYS C 67 29.451 6.275 2.457 1.00 9.87 N ATOM 1287 CA LYS C 67 28.893 6.699 1.179 1.00 10.17 C ATOM 1288 C LYS C 67 30.008 6.965 0.171 1.00 10.16 C ATOM 1289 O LYS C 67 29.943 6.522 -0.977 1.00 10.39 O ATOM 1290 CB LYS C 67 28.014 7.946 1.362 1.00 12.51 C ATOM 1291 CG LYS C 67 28.785 9.259 1.406 1.00 14.92 C ATOM 1292 CD LYS C 67 27.858 10.441 1.636 1.00 16.84 C ATOM 1293 CE LYS C 67 27.309 10.983 0.326 1.00 18.59 C ATOM 1294 NZ LYS C 67 27.051 12.447 0.397 1.00 19.98 N ATOM 0 H LYS C 67 29.218 6.883 3.242 1.00 9.87 H new ATOM 0 HA LYS C 67 28.267 5.895 0.791 1.00 10.17 H new ATOM 0 HB2 LYS C 67 27.292 7.990 0.546 1.00 12.51 H new ATOM 0 HB3 LYS C 67 27.445 7.842 2.286 1.00 12.51 H new ATOM 0 HG2 LYS C 67 29.529 9.219 2.201 1.00 14.92 H new ATOM 0 HG3 LYS C 67 29.326 9.396 0.470 1.00 14.92 H new ATOM 0 HD2 LYS C 67 27.032 10.137 2.279 1.00 16.84 H new ATOM 0 HD3 LYS C 67 28.397 11.230 2.160 1.00 16.84 H new ATOM 0 HE2 LYS C 67 28.017 10.777 -0.477 1.00 18.59 H new ATOM 0 HE3 LYS C 67 26.384 10.463 0.077 1.00 18.59 H new ATOM 0 HZ1 LYS C 67 26.678 12.778 -0.515 1.00 19.98 H new ATOM 0 HZ2 LYS C 67 26.357 12.641 1.146 1.00 19.98 H new ATOM 0 HZ3 LYS C 67 27.938 12.946 0.610 1.00 19.98 H new ATOM 1308 N LYS C 68 31.036 7.681 0.614 1.00 10.03 N ATOM 1309 CA LYS C 68 32.172 7.995 -0.241 1.00 10.23 C ATOM 1310 C LYS C 68 32.859 6.714 -0.696 1.00 8.47 C ATOM 1311 O LYS C 68 33.299 6.604 -1.841 1.00 8.90 O ATOM 1312 CB LYS C 68 33.167 8.890 0.500 1.00 12.53 C ATOM 1313 CG LYS C 68 34.441 9.163 -0.282 1.00 13.17 C ATOM 1314 CD LYS C 68 35.515 9.777 0.601 1.00 14.27 C ATOM 1315 CE LYS C 68 36.327 8.708 1.316 1.00 15.81 C ATOM 1316 NZ LYS C 68 37.410 8.161 0.453 1.00 16.43 N ATOM 0 H LYS C 68 31.105 8.054 1.561 1.00 10.03 H new ATOM 0 HA LYS C 68 31.807 8.530 -1.118 1.00 10.23 H new ATOM 0 HB2 LYS C 68 32.684 9.839 0.734 1.00 12.53 H new ATOM 0 HB3 LYS C 68 33.427 8.422 1.449 1.00 12.53 H new ATOM 0 HG2 LYS C 68 34.811 8.233 -0.713 1.00 13.17 H new ATOM 0 HG3 LYS C 68 34.223 9.835 -1.112 1.00 13.17 H new ATOM 0 HD2 LYS C 68 36.178 10.394 -0.006 1.00 14.27 H new ATOM 0 HD3 LYS C 68 35.051 10.435 1.336 1.00 14.27 H new ATOM 0 HE2 LYS C 68 36.763 9.129 2.222 1.00 15.81 H new ATOM 0 HE3 LYS C 68 35.667 7.898 1.627 1.00 15.81 H new ATOM 0 HZ1 LYS C 68 37.939 7.436 0.978 1.00 16.43 H new ATOM 0 HZ2 LYS C 68 36.993 7.736 -0.400 1.00 16.43 H new ATOM 0 HZ3 LYS C 68 38.055 8.929 0.177 1.00 16.43 H new ATOM 1330 N MET C 69 32.940 5.743 0.209 1.00 6.99 N ATOM 1331 CA MET C 69 33.564 4.463 -0.096 1.00 5.75 C ATOM 1332 C MET C 69 32.763 3.721 -1.161 1.00 3.46 C ATOM 1333 O MET C 69 33.329 3.133 -2.083 1.00 4.09 O ATOM 1334 CB MET C 69 33.672 3.610 1.170 1.00 6.03 C ATOM 1335 CG MET C 69 34.143 2.189 0.911 1.00 5.72 C ATOM 1336 SD MET C 69 34.066 1.152 2.384 1.00 6.15 S ATOM 1337 CE MET C 69 32.413 1.515 2.969 1.00 6.15 C ATOM 0 H MET C 69 32.580 5.820 1.160 1.00 6.99 H new ATOM 0 HA MET C 69 34.567 4.650 -0.480 1.00 5.75 H new ATOM 0 HB2 MET C 69 34.361 4.091 1.864 1.00 6.03 H new ATOM 0 HB3 MET C 69 32.699 3.577 1.659 1.00 6.03 H new ATOM 0 HG2 MET C 69 33.531 1.745 0.126 1.00 5.72 H new ATOM 0 HG3 MET C 69 35.168 2.212 0.541 1.00 5.72 H new ATOM 0 HE1 MET C 69 31.985 0.623 3.427 1.00 6.15 H new ATOM 0 HE2 MET C 69 32.456 2.317 3.706 1.00 6.15 H new ATOM 0 HE3 MET C 69 31.790 1.826 2.130 1.00 6.15 H new ATOM 1347 N VAL C 70 31.441 3.759 -1.028 1.00 1.26 N ATOM 1348 CA VAL C 70 30.555 3.100 -1.976 1.00 1.59 C ATOM 1349 C VAL C 70 30.569 3.824 -3.319 1.00 2.69 C ATOM 1350 O VAL C 70 30.603 3.193 -4.375 1.00 3.05 O ATOM 1351 CB VAL C 70 29.110 3.033 -1.429 1.00 3.83 C ATOM 1352 CG1 VAL C 70 28.129 2.546 -2.489 1.00 5.55 C ATOM 1353 CG2 VAL C 70 29.058 2.133 -0.206 1.00 3.90 C ATOM 0 H VAL C 70 30.960 4.242 -0.269 1.00 1.26 H new ATOM 0 HA VAL C 70 30.919 2.083 -2.120 1.00 1.59 H new ATOM 0 HB VAL C 70 28.812 4.042 -1.145 1.00 3.83 H new ATOM 0 HG11 VAL C 70 27.125 2.512 -2.067 1.00 5.55 H new ATOM 0 HG12 VAL C 70 28.143 3.229 -3.339 1.00 5.55 H new ATOM 0 HG13 VAL C 70 28.417 1.548 -2.820 1.00 5.55 H new ATOM 0 HG21 VAL C 70 28.037 2.092 0.172 1.00 3.90 H new ATOM 0 HG22 VAL C 70 29.385 1.129 -0.479 1.00 3.90 H new ATOM 0 HG23 VAL C 70 29.715 2.531 0.567 1.00 3.90 H new ATOM 1363 N PHE C 71 30.552 5.151 -3.271 1.00 4.26 N ATOM 1364 CA PHE C 71 30.571 5.954 -4.486 1.00 6.28 C ATOM 1365 C PHE C 71 31.733 5.535 -5.382 1.00 7.05 C ATOM 1366 O PHE C 71 31.530 5.096 -6.513 1.00 8.63 O ATOM 1367 CB PHE C 71 30.680 7.442 -4.142 1.00 7.08 C ATOM 1368 CG PHE C 71 30.913 8.320 -5.340 1.00 7.07 C ATOM 1369 CD1 PHE C 71 29.938 8.434 -6.340 1.00 8.40 C ATOM 1370 CD2 PHE C 71 32.113 9.033 -5.478 1.00 6.09 C ATOM 1371 CE1 PHE C 71 30.155 9.245 -7.458 1.00 8.63 C ATOM 1372 CE2 PHE C 71 32.335 9.845 -6.593 1.00 6.71 C ATOM 1373 CZ PHE C 71 31.354 9.951 -7.583 1.00 7.86 C ATOM 0 H PHE C 71 30.525 5.691 -2.406 1.00 4.26 H new ATOM 0 HA PHE C 71 29.637 5.788 -5.023 1.00 6.28 H new ATOM 0 HB2 PHE C 71 29.765 7.759 -3.642 1.00 7.08 H new ATOM 0 HB3 PHE C 71 31.496 7.584 -3.433 1.00 7.08 H new ATOM 0 HD1 PHE C 71 29.010 7.890 -6.246 1.00 8.40 H new ATOM 0 HD2 PHE C 71 32.873 8.953 -4.715 1.00 6.09 H new ATOM 0 HE1 PHE C 71 29.397 9.326 -8.223 1.00 8.63 H new ATOM 0 HE2 PHE C 71 33.263 10.390 -6.690 1.00 6.71 H new ATOM 0 HZ PHE C 71 31.523 10.579 -8.445 1.00 7.86 H new ATOM 1383 N ASP C 72 32.951 5.669 -4.866 1.00 6.14 N ATOM 1384 CA ASP C 72 34.142 5.298 -5.618 1.00 7.08 C ATOM 1385 C ASP C 72 34.025 3.869 -6.136 1.00 8.13 C ATOM 1386 O ASP C 72 34.315 3.595 -7.301 1.00 9.08 O ATOM 1387 CB ASP C 72 35.390 5.441 -4.746 1.00 5.63 C ATOM 1388 CG ASP C 72 36.443 6.323 -5.386 1.00 5.15 C ATOM 1389 OD1 ASP C 72 36.665 6.193 -6.608 1.00 5.56 O ATOM 1390 OD2 ASP C 72 37.047 7.146 -4.665 1.00 4.70 O ATOM 0 H ASP C 72 33.138 6.031 -3.931 1.00 6.14 H new ATOM 0 HA ASP C 72 34.231 5.971 -6.471 1.00 7.08 H new ATOM 0 HB2 ASP C 72 35.109 5.859 -3.779 1.00 5.63 H new ATOM 0 HB3 ASP C 72 35.813 4.454 -4.556 1.00 5.63 H new ATOM 1395 N THR C 73 33.591 2.962 -5.265 1.00 8.60 N ATOM 1396 CA THR C 73 33.429 1.565 -5.642 1.00 9.99 C ATOM 1397 C THR C 73 32.393 1.433 -6.752 1.00 12.58 C ATOM 1398 O THR C 73 32.730 1.141 -7.899 1.00 14.54 O ATOM 1399 CB THR C 73 33.011 0.727 -4.426 1.00 8.73 C ATOM 1400 OG1 THR C 73 34.089 0.593 -3.517 1.00 8.74 O ATOM 1401 CG2 THR C 73 32.535 -0.670 -4.781 1.00 8.19 C ATOM 0 H THR C 73 33.346 3.170 -4.297 1.00 8.60 H new ATOM 0 HA THR C 73 34.386 1.193 -6.009 1.00 9.99 H new ATOM 0 HB THR C 73 32.177 1.270 -3.981 1.00 8.73 H new ATOM 0 HG1 THR C 73 34.082 1.345 -2.888 1.00 8.74 H new ATOM 0 HG21 THR C 73 32.257 -1.202 -3.871 1.00 8.19 H new ATOM 0 HG22 THR C 73 31.670 -0.603 -5.441 1.00 8.19 H new ATOM 0 HG23 THR C 73 33.336 -1.210 -5.286 1.00 8.19 H new ATOM 1409 N LEU C 74 31.130 1.648 -6.401 1.00 12.86 N ATOM 1410 CA LEU C 74 30.042 1.551 -7.366 1.00 15.46 C ATOM 1411 C LEU C 74 30.349 2.358 -8.621 1.00 16.24 C ATOM 1412 O LEU C 74 30.026 1.940 -9.732 1.00 18.04 O ATOM 1413 CB LEU C 74 28.732 2.023 -6.736 1.00 16.59 C ATOM 1414 CG LEU C 74 28.195 1.113 -5.631 1.00 15.69 C ATOM 1415 CD1 LEU C 74 26.766 1.491 -5.275 1.00 17.87 C ATOM 1416 CD2 LEU C 74 28.276 -0.346 -6.062 1.00 15.31 C ATOM 0 H LEU C 74 30.835 1.891 -5.455 1.00 12.86 H new ATOM 0 HA LEU C 74 29.937 0.505 -7.655 1.00 15.46 H new ATOM 0 HB2 LEU C 74 28.880 3.022 -6.326 1.00 16.59 H new ATOM 0 HB3 LEU C 74 27.977 2.108 -7.518 1.00 16.59 H new ATOM 0 HG LEU C 74 28.812 1.244 -4.742 1.00 15.69 H new ATOM 0 HD11 LEU C 74 26.401 0.832 -4.487 1.00 17.87 H new ATOM 0 HD12 LEU C 74 26.739 2.523 -4.927 1.00 17.87 H new ATOM 0 HD13 LEU C 74 26.132 1.389 -6.156 1.00 17.87 H new ATOM 0 HD21 LEU C 74 27.890 -0.983 -5.266 1.00 15.31 H new ATOM 0 HD22 LEU C 74 27.681 -0.493 -6.964 1.00 15.31 H new ATOM 0 HD23 LEU C 74 29.314 -0.608 -6.265 1.00 15.31 H new ATOM 1428 N LYS C 75 30.988 3.507 -8.439 1.00 15.02 N ATOM 1429 CA LYS C 75 31.350 4.359 -9.563 1.00 15.92 C ATOM 1430 C LYS C 75 32.190 3.575 -10.560 1.00 14.95 C ATOM 1431 O LYS C 75 31.753 3.288 -11.674 1.00 15.78 O ATOM 1432 CB LYS C 75 32.133 5.581 -9.076 1.00 15.48 C ATOM 1433 CG LYS C 75 32.714 6.420 -10.202 1.00 15.13 C ATOM 1434 CD LYS C 75 32.846 7.881 -9.800 1.00 16.01 C ATOM 1435 CE LYS C 75 34.301 8.320 -9.771 1.00 17.22 C ATOM 1436 NZ LYS C 75 34.916 8.294 -11.127 1.00 18.90 N ATOM 0 H LYS C 75 31.265 3.869 -7.527 1.00 15.02 H new ATOM 0 HA LYS C 75 30.436 4.698 -10.050 1.00 15.92 H new ATOM 0 HB2 LYS C 75 31.476 6.205 -8.471 1.00 15.48 H new ATOM 0 HB3 LYS C 75 32.943 5.248 -8.427 1.00 15.48 H new ATOM 0 HG2 LYS C 75 33.692 6.029 -10.481 1.00 15.13 H new ATOM 0 HG3 LYS C 75 32.076 6.340 -11.082 1.00 15.13 H new ATOM 0 HD2 LYS C 75 32.290 8.504 -10.501 1.00 16.01 H new ATOM 0 HD3 LYS C 75 32.400 8.031 -8.817 1.00 16.01 H new ATOM 0 HE2 LYS C 75 34.368 9.328 -9.361 1.00 17.22 H new ATOM 0 HE3 LYS C 75 34.864 7.667 -9.104 1.00 17.22 H new ATOM 0 HZ1 LYS C 75 35.762 8.899 -11.136 1.00 18.90 H new ATOM 0 HZ2 LYS C 75 35.185 7.319 -11.367 1.00 18.90 H new ATOM 0 HZ3 LYS C 75 34.231 8.646 -11.826 1.00 18.90 H new ATOM 1450 N ASP C 76 33.399 3.229 -10.140 1.00 13.27 N ATOM 1451 CA ASP C 76 34.316 2.472 -10.980 1.00 12.38 C ATOM 1452 C ASP C 76 33.737 1.103 -11.326 1.00 13.80 C ATOM 1453 O ASP C 76 34.031 0.546 -12.385 1.00 14.30 O ATOM 1454 CB ASP C 76 35.663 2.305 -10.276 1.00 9.89 C ATOM 1455 CG ASP C 76 36.825 2.292 -11.250 1.00 10.97 C ATOM 1456 OD1 ASP C 76 36.980 3.276 -12.003 1.00 11.48 O ATOM 1457 OD2 ASP C 76 37.579 1.297 -11.260 1.00 11.65 O ATOM 0 H ASP C 76 33.769 3.462 -9.218 1.00 13.27 H new ATOM 0 HA ASP C 76 34.463 3.028 -11.906 1.00 12.38 H new ATOM 0 HB2 ASP C 76 35.800 3.117 -9.562 1.00 9.89 H new ATOM 0 HB3 ASP C 76 35.660 1.376 -9.706 1.00 9.89 H new ATOM 1462 N LEU C 77 32.912 0.564 -10.431 1.00 14.68 N ATOM 1463 CA LEU C 77 32.298 -0.738 -10.651 1.00 16.57 C ATOM 1464 C LEU C 77 31.329 -0.681 -11.829 1.00 18.49 C ATOM 1465 O LEU C 77 31.448 -1.454 -12.779 1.00 19.85 O ATOM 1466 CB LEU C 77 31.584 -1.204 -9.373 1.00 17.36 C ATOM 1467 CG LEU C 77 30.493 -2.268 -9.559 1.00 18.50 C ATOM 1468 CD1 LEU C 77 30.908 -3.295 -10.602 1.00 17.61 C ATOM 1469 CD2 LEU C 77 30.186 -2.949 -8.234 1.00 18.83 C ATOM 0 H LEU C 77 32.655 1.009 -9.550 1.00 14.68 H new ATOM 0 HA LEU C 77 33.077 -1.460 -10.894 1.00 16.57 H new ATOM 0 HB2 LEU C 77 32.333 -1.597 -8.685 1.00 17.36 H new ATOM 0 HB3 LEU C 77 31.136 -0.334 -8.893 1.00 17.36 H new ATOM 0 HG LEU C 77 29.590 -1.771 -9.913 1.00 18.50 H new ATOM 0 HD11 LEU C 77 30.118 -4.038 -10.715 1.00 17.61 H new ATOM 0 HD12 LEU C 77 31.077 -2.796 -11.556 1.00 17.61 H new ATOM 0 HD13 LEU C 77 31.826 -3.788 -10.282 1.00 17.61 H new ATOM 0 HD21 LEU C 77 29.411 -3.701 -8.382 1.00 18.83 H new ATOM 0 HD22 LEU C 77 31.088 -3.428 -7.854 1.00 18.83 H new ATOM 0 HD23 LEU C 77 29.839 -2.207 -7.515 1.00 18.83 H new ATOM 1481 N TYR C 78 30.374 0.240 -11.764 1.00 18.84 N ATOM 1482 CA TYR C 78 29.396 0.395 -12.833 1.00 20.81 C ATOM 1483 C TYR C 78 30.080 0.789 -14.139 1.00 22.57 C ATOM 1484 O TYR C 78 29.535 0.582 -15.223 1.00 24.24 O ATOM 1485 CB TYR C 78 28.349 1.441 -12.450 1.00 21.27 C ATOM 1486 CG TYR C 78 27.494 1.035 -11.272 1.00 21.07 C ATOM 1487 CD1 TYR C 78 27.137 -0.310 -11.068 1.00 20.41 C ATOM 1488 CD2 TYR C 78 27.036 1.992 -10.350 1.00 21.99 C ATOM 1489 CE1 TYR C 78 26.348 -0.689 -9.979 1.00 20.65 C ATOM 1490 CE2 TYR C 78 26.246 1.620 -9.257 1.00 22.28 C ATOM 1491 CZ TYR C 78 25.906 0.280 -9.078 1.00 21.60 C ATOM 1492 OH TYR C 78 25.129 -0.090 -8.005 1.00 22.27 O ATOM 0 H TYR C 78 30.257 0.888 -10.985 1.00 18.84 H new ATOM 0 HA TYR C 78 28.898 -0.563 -12.980 1.00 20.81 H new ATOM 0 HB2 TYR C 78 28.853 2.379 -12.217 1.00 21.27 H new ATOM 0 HB3 TYR C 78 27.705 1.630 -13.309 1.00 21.27 H new ATOM 0 HD1 TYR C 78 27.478 -1.062 -11.764 1.00 20.41 H new ATOM 0 HD2 TYR C 78 27.298 3.031 -10.488 1.00 21.99 H new ATOM 0 HE1 TYR C 78 26.082 -1.726 -9.836 1.00 20.65 H new ATOM 0 HE2 TYR C 78 25.902 2.366 -8.556 1.00 22.28 H new ATOM 0 HH TYR C 78 24.237 -0.346 -8.320 1.00 22.27 H new ATOM 1502 N LYS C 79 31.280 1.354 -14.029 1.00 22.27 N ATOM 1503 CA LYS C 79 32.038 1.768 -15.201 1.00 23.94 C ATOM 1504 C LYS C 79 32.540 0.552 -15.973 1.00 24.47 C ATOM 1505 O LYS C 79 32.681 0.595 -17.195 1.00 25.52 O ATOM 1506 CB LYS C 79 33.221 2.646 -14.786 1.00 23.64 C ATOM 1507 CG LYS C 79 33.395 3.881 -15.652 1.00 24.66 C ATOM 1508 CD LYS C 79 34.258 4.926 -14.963 1.00 25.22 C ATOM 1509 CE LYS C 79 33.805 6.335 -15.307 1.00 26.88 C ATOM 1510 NZ LYS C 79 33.944 7.260 -14.150 1.00 27.62 N ATOM 0 H LYS C 79 31.746 1.534 -13.140 1.00 22.27 H new ATOM 0 HA LYS C 79 31.378 2.345 -15.848 1.00 23.94 H new ATOM 0 HB2 LYS C 79 33.087 2.955 -13.749 1.00 23.64 H new ATOM 0 HB3 LYS C 79 34.135 2.053 -14.826 1.00 23.64 H new ATOM 0 HG2 LYS C 79 33.850 3.600 -16.602 1.00 24.66 H new ATOM 0 HG3 LYS C 79 32.418 4.307 -15.881 1.00 24.66 H new ATOM 0 HD2 LYS C 79 34.214 4.782 -13.883 1.00 25.22 H new ATOM 0 HD3 LYS C 79 35.298 4.794 -15.260 1.00 25.22 H new ATOM 0 HE2 LYS C 79 34.392 6.711 -16.145 1.00 26.88 H new ATOM 0 HE3 LYS C 79 32.765 6.313 -15.631 1.00 26.88 H new ATOM 0 HZ1 LYS C 79 33.625 8.211 -14.425 1.00 27.62 H new ATOM 0 HZ2 LYS C 79 33.364 6.916 -13.359 1.00 27.62 H new ATOM 0 HZ3 LYS C 79 34.941 7.301 -13.856 1.00 27.62 H new ATOM 1524 N LYS C 80 32.809 -0.531 -15.250 1.00 23.90 N ATOM 1525 CA LYS C 80 33.296 -1.758 -15.866 1.00 24.30 C ATOM 1526 C LYS C 80 32.225 -2.388 -16.752 1.00 26.80 C ATOM 1527 O LYS C 80 32.537 -3.101 -17.706 1.00 27.78 O ATOM 1528 CB LYS C 80 33.734 -2.753 -14.790 1.00 22.13 C ATOM 1529 CG LYS C 80 35.047 -3.450 -15.106 1.00 19.93 C ATOM 1530 CD LYS C 80 35.831 -3.758 -13.840 1.00 18.79 C ATOM 1531 CE LYS C 80 36.637 -2.556 -13.376 1.00 16.81 C ATOM 1532 NZ LYS C 80 37.673 -2.936 -12.377 1.00 16.14 N ATOM 0 H LYS C 80 32.698 -0.583 -14.237 1.00 23.90 H new ATOM 0 HA LYS C 80 34.153 -1.505 -16.490 1.00 24.30 H new ATOM 0 HB2 LYS C 80 33.830 -2.229 -13.839 1.00 22.13 H new ATOM 0 HB3 LYS C 80 32.955 -3.504 -14.662 1.00 22.13 H new ATOM 0 HG2 LYS C 80 34.848 -4.375 -15.647 1.00 19.93 H new ATOM 0 HG3 LYS C 80 35.646 -2.819 -15.763 1.00 19.93 H new ATOM 0 HD2 LYS C 80 35.144 -4.063 -13.051 1.00 18.79 H new ATOM 0 HD3 LYS C 80 36.501 -4.598 -14.021 1.00 18.79 H new ATOM 0 HE2 LYS C 80 37.116 -2.086 -14.235 1.00 16.81 H new ATOM 0 HE3 LYS C 80 35.967 -1.815 -12.940 1.00 16.81 H new ATOM 0 HZ1 LYS C 80 38.201 -2.089 -12.085 1.00 16.14 H new ATOM 0 HZ2 LYS C 80 37.215 -3.361 -11.546 1.00 16.14 H new ATOM 0 HZ3 LYS C 80 38.328 -3.624 -12.801 1.00 16.14 H new ATOM 1546 N THR C 81 30.963 -2.121 -16.431 1.00 27.92 N ATOM 1547 CA THR C 81 29.848 -2.665 -17.198 1.00 30.44 C ATOM 1548 C THR C 81 29.581 -1.827 -18.443 1.00 32.49 C ATOM 1549 O THR C 81 29.740 -2.300 -19.570 1.00 33.31 O ATOM 1550 CB THR C 81 28.587 -2.731 -16.334 1.00 31.59 C ATOM 1551 OG1 THR C 81 28.487 -1.589 -15.502 1.00 30.74 O ATOM 1552 CG2 THR C 81 28.534 -3.954 -15.443 1.00 31.02 C ATOM 0 H THR C 81 30.687 -1.532 -15.646 1.00 27.92 H new ATOM 0 HA THR C 81 30.117 -3.673 -17.512 1.00 30.44 H new ATOM 0 HB THR C 81 27.758 -2.779 -17.040 1.00 31.59 H new ATOM 0 HG1 THR C 81 28.916 -0.825 -15.942 1.00 30.74 H new ATOM 0 HG21 THR C 81 27.615 -3.938 -14.858 1.00 31.02 H new ATOM 0 HG22 THR C 81 28.557 -4.854 -16.058 1.00 31.02 H new ATOM 0 HG23 THR C 81 29.392 -3.952 -14.771 1.00 31.02 H new ATOM 1616 N ASP D 54 26.333 7.143 -17.338 1.00 35.37 N ATOM 1617 CA ASP D 54 25.213 6.739 -16.498 1.00 32.91 C ATOM 1618 C ASP D 54 25.707 6.017 -15.248 1.00 32.38 C ATOM 1619 O ASP D 54 25.030 6.001 -14.220 1.00 31.89 O ATOM 1620 CB ASP D 54 24.261 5.833 -17.281 1.00 32.94 C ATOM 1621 CG ASP D 54 23.604 6.551 -18.444 1.00 32.06 C ATOM 1622 OD1 ASP D 54 24.172 7.556 -18.919 1.00 33.02 O ATOM 1623 OD2 ASP D 54 22.521 6.107 -18.878 1.00 30.45 O ATOM 0 HA ASP D 54 24.677 7.637 -16.191 1.00 32.91 H new ATOM 0 HB2 ASP D 54 24.811 4.969 -17.655 1.00 32.94 H new ATOM 0 HB3 ASP D 54 23.490 5.454 -16.610 1.00 32.94 H new ATOM 1628 N ALA D 55 26.890 5.419 -15.347 1.00 32.50 N ATOM 1629 CA ALA D 55 27.476 4.693 -14.227 1.00 32.03 C ATOM 1630 C ALA D 55 27.610 5.587 -12.999 1.00 30.08 C ATOM 1631 O ALA D 55 27.354 5.157 -11.874 1.00 28.88 O ATOM 1632 CB ALA D 55 28.834 4.128 -14.619 1.00 33.70 C ATOM 0 H ALA D 55 27.461 5.423 -16.192 1.00 32.50 H new ATOM 0 HA ALA D 55 26.809 3.870 -13.972 1.00 32.03 H new ATOM 0 HB1 ALA D 55 29.261 3.588 -13.774 1.00 33.70 H new ATOM 0 HB2 ALA D 55 28.715 3.447 -15.462 1.00 33.70 H new ATOM 0 HB3 ALA D 55 29.499 4.944 -14.902 1.00 33.70 H new ATOM 1638 N GLU D 56 28.011 6.834 -13.221 1.00 29.86 N ATOM 1639 CA GLU D 56 28.178 7.789 -12.131 1.00 28.17 C ATOM 1640 C GLU D 56 26.838 8.110 -11.478 1.00 26.30 C ATOM 1641 O GLU D 56 26.706 8.066 -10.254 1.00 26.30 O ATOM 1642 CB GLU D 56 28.829 9.073 -12.648 1.00 28.64 C ATOM 1643 CG GLU D 56 30.326 9.140 -12.394 1.00 30.34 C ATOM 1644 CD GLU D 56 30.896 10.524 -12.634 1.00 30.30 C ATOM 1645 OE1 GLU D 56 30.751 11.387 -11.743 1.00 29.06 O ATOM 1646 OE2 GLU D 56 31.487 10.746 -13.711 1.00 31.60 O ATOM 0 H GLU D 56 28.226 7.207 -14.145 1.00 29.86 H new ATOM 0 HA GLU D 56 28.827 7.337 -11.380 1.00 28.17 H new ATOM 0 HB2 GLU D 56 28.646 9.157 -13.719 1.00 28.64 H new ATOM 0 HB3 GLU D 56 28.350 9.930 -12.174 1.00 28.64 H new ATOM 0 HG2 GLU D 56 30.530 8.840 -11.366 1.00 30.34 H new ATOM 0 HG3 GLU D 56 30.833 8.425 -13.042 1.00 30.34 H new ATOM 1653 N ARG D 57 25.848 8.433 -12.302 1.00 24.83 N ATOM 1654 CA ARG D 57 24.515 8.760 -11.806 1.00 23.07 C ATOM 1655 C ARG D 57 24.009 7.684 -10.851 1.00 20.46 C ATOM 1656 O ARG D 57 23.236 7.966 -9.936 1.00 19.09 O ATOM 1657 CB ARG D 57 23.541 8.920 -12.974 1.00 23.50 C ATOM 1658 CG ARG D 57 23.486 10.332 -13.535 1.00 24.80 C ATOM 1659 CD ARG D 57 24.586 10.571 -14.555 1.00 26.81 C ATOM 1660 NE ARG D 57 24.137 11.427 -15.650 1.00 29.02 N ATOM 1661 CZ ARG D 57 24.965 12.080 -16.461 1.00 30.71 C ATOM 1662 NH1 ARG D 57 26.276 11.974 -16.299 1.00 30.37 N ATOM 1663 NH2 ARG D 57 24.480 12.839 -17.434 1.00 32.80 N ATOM 0 H ARG D 57 25.942 8.476 -13.317 1.00 24.83 H new ATOM 0 HA ARG D 57 24.578 9.702 -11.261 1.00 23.07 H new ATOM 0 HB2 ARG D 57 23.827 8.233 -13.771 1.00 23.50 H new ATOM 0 HB3 ARG D 57 22.543 8.630 -12.646 1.00 23.50 H new ATOM 0 HG2 ARG D 57 22.515 10.502 -14.000 1.00 24.80 H new ATOM 0 HG3 ARG D 57 23.581 11.051 -12.722 1.00 24.80 H new ATOM 0 HD2 ARG D 57 25.443 11.030 -14.063 1.00 26.81 H new ATOM 0 HD3 ARG D 57 24.923 9.615 -14.956 1.00 26.81 H new ATOM 0 HE ARG D 57 23.134 11.530 -15.801 1.00 29.02 H new ATOM 0 HH11 ARG D 57 26.652 11.391 -15.551 1.00 30.37 H new ATOM 0 HH12 ARG D 57 26.909 12.476 -16.922 1.00 30.37 H new ATOM 0 HH21 ARG D 57 23.471 12.923 -17.561 1.00 32.80 H new ATOM 0 HH22 ARG D 57 25.116 13.339 -18.055 1.00 32.80 H new ATOM 1677 N LEU D 58 24.446 6.450 -11.075 1.00 19.85 N ATOM 1678 CA LEU D 58 24.034 5.330 -10.238 1.00 17.53 C ATOM 1679 C LEU D 58 24.788 5.329 -8.914 1.00 16.52 C ATOM 1680 O LEU D 58 24.196 5.507 -7.850 1.00 15.80 O ATOM 1681 CB LEU D 58 24.268 4.007 -10.970 1.00 17.83 C ATOM 1682 CG LEU D 58 23.432 3.813 -12.236 1.00 18.91 C ATOM 1683 CD1 LEU D 58 24.146 2.889 -13.209 1.00 19.51 C ATOM 1684 CD2 LEU D 58 22.059 3.262 -11.886 1.00 18.34 C ATOM 0 H LEU D 58 25.086 6.200 -11.829 1.00 19.85 H new ATOM 0 HA LEU D 58 22.970 5.441 -10.028 1.00 17.53 H new ATOM 0 HB2 LEU D 58 25.323 3.937 -11.235 1.00 17.83 H new ATOM 0 HB3 LEU D 58 24.057 3.187 -10.284 1.00 17.83 H new ATOM 0 HG LEU D 58 23.302 4.783 -12.716 1.00 18.91 H new ATOM 0 HD11 LEU D 58 23.537 2.762 -14.104 1.00 19.51 H new ATOM 0 HD12 LEU D 58 25.108 3.322 -13.483 1.00 19.51 H new ATOM 0 HD13 LEU D 58 24.306 1.919 -12.739 1.00 19.51 H new ATOM 0 HD21 LEU D 58 21.477 3.130 -12.798 1.00 18.34 H new ATOM 0 HD22 LEU D 58 22.170 2.301 -11.384 1.00 18.34 H new ATOM 0 HD23 LEU D 58 21.545 3.960 -11.225 1.00 18.34 H new ATOM 1696 N ALA D 59 26.099 5.127 -8.989 1.00 16.66 N ATOM 1697 CA ALA D 59 26.945 5.098 -7.801 1.00 16.06 C ATOM 1698 C ALA D 59 26.614 6.250 -6.856 1.00 16.67 C ATOM 1699 O ALA D 59 26.803 6.146 -5.644 1.00 17.68 O ATOM 1700 CB ALA D 59 28.413 5.144 -8.199 1.00 16.84 C ATOM 0 H ALA D 59 26.601 4.980 -9.865 1.00 16.66 H new ATOM 0 HA ALA D 59 26.750 4.165 -7.272 1.00 16.06 H new ATOM 0 HB1 ALA D 59 29.034 5.122 -7.303 1.00 16.84 H new ATOM 0 HB2 ALA D 59 28.648 4.283 -8.824 1.00 16.84 H new ATOM 0 HB3 ALA D 59 28.611 6.061 -8.755 1.00 16.84 H new ATOM 1706 N ASP D 60 26.118 7.345 -7.420 1.00 16.40 N ATOM 1707 CA ASP D 60 25.757 8.515 -6.628 1.00 17.57 C ATOM 1708 C ASP D 60 24.499 8.248 -5.807 1.00 16.25 C ATOM 1709 O ASP D 60 24.508 8.365 -4.582 1.00 17.02 O ATOM 1710 CB ASP D 60 25.539 9.725 -7.538 1.00 18.38 C ATOM 1711 CG ASP D 60 25.686 11.041 -6.799 1.00 19.20 C ATOM 1712 OD1 ASP D 60 25.661 11.027 -5.550 1.00 18.38 O ATOM 1713 OD2 ASP D 60 25.825 12.085 -7.469 1.00 20.86 O ATOM 0 H ASP D 60 25.957 7.447 -8.422 1.00 16.40 H new ATOM 0 HA ASP D 60 26.578 8.728 -5.943 1.00 17.57 H new ATOM 0 HB2 ASP D 60 26.255 9.691 -8.360 1.00 18.38 H new ATOM 0 HB3 ASP D 60 24.544 9.669 -7.979 1.00 18.38 H new ATOM 1718 N GLU D 61 23.417 7.887 -6.490 1.00 14.61 N ATOM 1719 CA GLU D 61 22.154 7.602 -5.822 1.00 13.60 C ATOM 1720 C GLU D 61 22.287 6.390 -4.905 1.00 12.81 C ATOM 1721 O GLU D 61 21.547 6.251 -3.931 1.00 12.96 O ATOM 1722 CB GLU D 61 21.050 7.357 -6.853 1.00 12.12 C ATOM 1723 CG GLU D 61 20.746 8.569 -7.720 1.00 11.91 C ATOM 1724 CD GLU D 61 19.461 9.268 -7.318 1.00 11.10 C ATOM 1725 OE1 GLU D 61 18.378 8.678 -7.514 1.00 9.19 O ATOM 1726 OE2 GLU D 61 19.539 10.405 -6.808 1.00 12.81 O ATOM 0 H GLU D 61 23.391 7.785 -7.505 1.00 14.61 H new ATOM 0 HA GLU D 61 21.888 8.468 -5.216 1.00 13.60 H new ATOM 0 HB2 GLU D 61 21.342 6.526 -7.495 1.00 12.12 H new ATOM 0 HB3 GLU D 61 20.140 7.055 -6.334 1.00 12.12 H new ATOM 0 HG2 GLU D 61 21.574 9.274 -7.655 1.00 11.91 H new ATOM 0 HG3 GLU D 61 20.675 8.257 -8.762 1.00 11.91 H new ATOM 1733 N GLN D 62 23.238 5.517 -5.223 1.00 12.30 N ATOM 1734 CA GLN D 62 23.474 4.317 -4.429 1.00 11.93 C ATOM 1735 C GLN D 62 24.191 4.660 -3.128 1.00 11.40 C ATOM 1736 O GLN D 62 23.892 4.093 -2.076 1.00 11.23 O ATOM 1737 CB GLN D 62 24.297 3.306 -5.229 1.00 12.30 C ATOM 1738 CG GLN D 62 23.829 3.147 -6.665 1.00 14.19 C ATOM 1739 CD GLN D 62 23.258 1.771 -6.948 1.00 13.41 C ATOM 1740 OE1 GLN D 62 23.345 0.866 -6.118 1.00 13.26 O ATOM 1741 NE2 GLN D 62 22.669 1.610 -8.127 1.00 13.06 N ATOM 0 H GLN D 62 23.858 5.619 -6.026 1.00 12.30 H new ATOM 0 HA GLN D 62 22.508 3.875 -4.185 1.00 11.93 H new ATOM 0 HB2 GLN D 62 25.342 3.617 -5.228 1.00 12.30 H new ATOM 0 HB3 GLN D 62 24.252 2.337 -4.731 1.00 12.30 H new ATOM 0 HG2 GLN D 62 23.072 3.901 -6.881 1.00 14.19 H new ATOM 0 HG3 GLN D 62 24.666 3.333 -7.338 1.00 14.19 H new ATOM 0 HE21 GLN D 62 22.621 2.389 -8.784 1.00 13.06 H new ATOM 0 HE22 GLN D 62 22.265 0.707 -8.376 1.00 13.06 H new ATOM 1750 N SER D 63 25.137 5.592 -3.204 1.00 11.32 N ATOM 1751 CA SER D 63 25.890 6.008 -2.026 1.00 11.08 C ATOM 1752 C SER D 63 24.997 6.774 -1.058 1.00 9.28 C ATOM 1753 O SER D 63 24.906 6.432 0.121 1.00 7.50 O ATOM 1754 CB SER D 63 27.082 6.874 -2.436 1.00 13.69 C ATOM 1755 OG SER D 63 26.744 7.732 -3.512 1.00 14.66 O ATOM 0 H SER D 63 25.399 6.071 -4.065 1.00 11.32 H new ATOM 0 HA SER D 63 26.258 5.114 -1.524 1.00 11.08 H new ATOM 0 HB2 SER D 63 27.414 7.468 -1.584 1.00 13.69 H new ATOM 0 HB3 SER D 63 27.917 6.236 -2.725 1.00 13.69 H new ATOM 0 HG SER D 63 26.957 7.291 -4.361 1.00 14.66 H new ATOM 1761 N GLU D 64 24.336 7.810 -1.563 1.00 10.17 N ATOM 1762 CA GLU D 64 23.447 8.619 -0.745 1.00 9.16 C ATOM 1763 C GLU D 64 22.440 7.739 -0.016 1.00 7.28 C ATOM 1764 O GLU D 64 22.069 8.014 1.125 1.00 7.77 O ATOM 1765 CB GLU D 64 22.717 9.639 -1.618 1.00 11.25 C ATOM 1766 CG GLU D 64 22.042 9.025 -2.833 1.00 12.69 C ATOM 1767 CD GLU D 64 20.533 8.965 -2.693 1.00 12.68 C ATOM 1768 OE1 GLU D 64 20.053 8.689 -1.573 1.00 11.53 O ATOM 1769 OE2 GLU D 64 19.833 9.194 -3.701 1.00 14.05 O ATOM 0 H GLU D 64 24.401 8.108 -2.536 1.00 10.17 H new ATOM 0 HA GLU D 64 24.045 9.148 -0.003 1.00 9.16 H new ATOM 0 HB2 GLU D 64 21.967 10.150 -1.015 1.00 11.25 H new ATOM 0 HB3 GLU D 64 23.428 10.395 -1.951 1.00 11.25 H new ATOM 0 HG2 GLU D 64 22.298 9.606 -3.719 1.00 12.69 H new ATOM 0 HG3 GLU D 64 22.429 8.018 -2.989 1.00 12.69 H new ATOM 1776 N LEU D 65 22.005 6.675 -0.682 1.00 5.55 N ATOM 1777 CA LEU D 65 21.045 5.748 -0.099 1.00 4.28 C ATOM 1778 C LEU D 65 21.637 5.052 1.122 1.00 4.42 C ATOM 1779 O LEU D 65 20.973 4.909 2.148 1.00 4.69 O ATOM 1780 CB LEU D 65 20.610 4.709 -1.135 1.00 5.23 C ATOM 1781 CG LEU D 65 19.107 4.426 -1.174 1.00 5.80 C ATOM 1782 CD1 LEU D 65 18.677 4.018 -2.575 1.00 6.76 C ATOM 1783 CD2 LEU D 65 18.743 3.347 -0.166 1.00 4.87 C ATOM 0 H LEU D 65 22.303 6.434 -1.627 1.00 5.55 H new ATOM 0 HA LEU D 65 20.172 6.319 0.218 1.00 4.28 H new ATOM 0 HB2 LEU D 65 20.927 5.047 -2.122 1.00 5.23 H new ATOM 0 HB3 LEU D 65 21.135 3.775 -0.934 1.00 5.23 H new ATOM 0 HG LEU D 65 18.576 5.340 -0.906 1.00 5.80 H new ATOM 0 HD11 LEU D 65 17.605 3.821 -2.584 1.00 6.76 H new ATOM 0 HD12 LEU D 65 18.903 4.823 -3.274 1.00 6.76 H new ATOM 0 HD13 LEU D 65 19.214 3.117 -2.873 1.00 6.76 H new ATOM 0 HD21 LEU D 65 17.670 3.158 -0.207 1.00 4.87 H new ATOM 0 HD22 LEU D 65 19.282 2.430 -0.404 1.00 4.87 H new ATOM 0 HD23 LEU D 65 19.015 3.679 0.836 1.00 4.87 H new ATOM 1795 N VAL D 66 22.890 4.623 1.006 1.00 5.05 N ATOM 1796 CA VAL D 66 23.566 3.945 2.103 1.00 5.50 C ATOM 1797 C VAL D 66 23.719 4.865 3.308 1.00 6.84 C ATOM 1798 O VAL D 66 23.517 4.452 4.449 1.00 7.42 O ATOM 1799 CB VAL D 66 24.958 3.439 1.682 1.00 6.98 C ATOM 1800 CG1 VAL D 66 25.629 2.699 2.830 1.00 7.69 C ATOM 1801 CG2 VAL D 66 24.857 2.551 0.451 1.00 7.77 C ATOM 0 H VAL D 66 23.456 4.733 0.164 1.00 5.05 H new ATOM 0 HA VAL D 66 22.944 3.092 2.375 1.00 5.50 H new ATOM 0 HB VAL D 66 25.574 4.302 1.428 1.00 6.98 H new ATOM 0 HG11 VAL D 66 26.611 2.349 2.513 1.00 7.69 H new ATOM 0 HG12 VAL D 66 25.741 3.371 3.681 1.00 7.69 H new ATOM 0 HG13 VAL D 66 25.016 1.845 3.120 1.00 7.69 H new ATOM 0 HG21 VAL D 66 25.851 2.204 0.170 1.00 7.77 H new ATOM 0 HG22 VAL D 66 24.222 1.693 0.672 1.00 7.77 H new ATOM 0 HG23 VAL D 66 24.425 3.119 -0.373 1.00 7.77 H new ATOM 1811 N LYS D 67 24.078 6.115 3.043 1.00 8.18 N ATOM 1812 CA LYS D 67 24.262 7.100 4.101 1.00 10.19 C ATOM 1813 C LYS D 67 23.020 7.194 4.981 1.00 10.36 C ATOM 1814 O LYS D 67 23.083 6.957 6.186 1.00 11.44 O ATOM 1815 CB LYS D 67 24.585 8.470 3.498 1.00 12.73 C ATOM 1816 CG LYS D 67 24.587 9.602 4.513 1.00 14.87 C ATOM 1817 CD LYS D 67 25.600 10.675 4.148 1.00 17.13 C ATOM 1818 CE LYS D 67 25.566 11.830 5.135 1.00 19.71 C ATOM 1819 NZ LYS D 67 25.581 13.150 4.446 1.00 21.04 N ATOM 0 H LYS D 67 24.248 6.471 2.102 1.00 8.18 H new ATOM 0 HA LYS D 67 25.098 6.779 4.723 1.00 10.19 H new ATOM 0 HB2 LYS D 67 25.562 8.424 3.017 1.00 12.73 H new ATOM 0 HB3 LYS D 67 23.857 8.694 2.719 1.00 12.73 H new ATOM 0 HG2 LYS D 67 23.592 10.043 4.569 1.00 14.87 H new ATOM 0 HG3 LYS D 67 24.816 9.205 5.502 1.00 14.87 H new ATOM 0 HD2 LYS D 67 26.600 10.241 4.128 1.00 17.13 H new ATOM 0 HD3 LYS D 67 25.393 11.046 3.144 1.00 17.13 H new ATOM 0 HE2 LYS D 67 24.671 11.753 5.753 1.00 19.71 H new ATOM 0 HE3 LYS D 67 26.423 11.760 5.805 1.00 19.71 H new ATOM 0 HZ1 LYS D 67 25.812 13.897 5.132 1.00 21.04 H new ATOM 0 HZ2 LYS D 67 26.297 13.140 3.692 1.00 21.04 H new ATOM 0 HZ3 LYS D 67 24.645 13.336 4.033 1.00 21.04 H new ATOM 1833 N LYS D 68 21.894 7.549 4.373 1.00 9.96 N ATOM 1834 CA LYS D 68 20.640 7.680 5.105 1.00 10.74 C ATOM 1835 C LYS D 68 20.344 6.423 5.918 1.00 10.00 C ATOM 1836 O LYS D 68 19.754 6.494 6.996 1.00 10.21 O ATOM 1837 CB LYS D 68 19.489 7.962 4.139 1.00 10.26 C ATOM 1838 CG LYS D 68 19.175 9.441 3.980 1.00 11.10 C ATOM 1839 CD LYS D 68 18.332 9.703 2.742 1.00 12.22 C ATOM 1840 CE LYS D 68 17.114 10.553 3.066 1.00 14.64 C ATOM 1841 NZ LYS D 68 17.451 11.686 3.972 1.00 16.51 N ATOM 0 H LYS D 68 21.824 7.751 3.376 1.00 9.96 H new ATOM 0 HA LYS D 68 20.740 8.517 5.795 1.00 10.74 H new ATOM 0 HB2 LYS D 68 19.735 7.545 3.163 1.00 10.26 H new ATOM 0 HB3 LYS D 68 18.596 7.445 4.491 1.00 10.26 H new ATOM 0 HG2 LYS D 68 18.646 9.799 4.864 1.00 11.10 H new ATOM 0 HG3 LYS D 68 20.105 10.006 3.914 1.00 11.10 H new ATOM 0 HD2 LYS D 68 18.938 10.206 1.988 1.00 12.22 H new ATOM 0 HD3 LYS D 68 18.011 8.754 2.312 1.00 12.22 H new ATOM 0 HE2 LYS D 68 16.687 10.942 2.142 1.00 14.64 H new ATOM 0 HE3 LYS D 68 16.351 9.930 3.532 1.00 14.64 H new ATOM 0 HZ1 LYS D 68 16.835 12.496 3.758 1.00 16.51 H new ATOM 0 HZ2 LYS D 68 17.309 11.394 4.960 1.00 16.51 H new ATOM 0 HZ3 LYS D 68 18.444 11.959 3.831 1.00 16.51 H new ATOM 1855 N MET D 69 20.757 5.272 5.397 1.00 9.63 N ATOM 1856 CA MET D 69 20.533 4.003 6.079 1.00 9.87 C ATOM 1857 C MET D 69 21.446 3.867 7.292 1.00 11.21 C ATOM 1858 O MET D 69 20.989 3.570 8.397 1.00 12.54 O ATOM 1859 CB MET D 69 20.763 2.836 5.117 1.00 7.92 C ATOM 1860 CG MET D 69 20.690 1.474 5.787 1.00 8.73 C ATOM 1861 SD MET D 69 21.225 0.136 4.704 1.00 8.18 S ATOM 1862 CE MET D 69 22.917 0.625 4.377 1.00 5.76 C ATOM 0 H MET D 69 21.248 5.192 4.506 1.00 9.63 H new ATOM 0 HA MET D 69 19.499 3.982 6.423 1.00 9.87 H new ATOM 0 HB2 MET D 69 20.020 2.880 4.320 1.00 7.92 H new ATOM 0 HB3 MET D 69 21.740 2.949 4.648 1.00 7.92 H new ATOM 0 HG2 MET D 69 21.311 1.481 6.683 1.00 8.73 H new ATOM 0 HG3 MET D 69 19.666 1.287 6.110 1.00 8.73 H new ATOM 0 HE1 MET D 69 23.543 -0.263 4.294 1.00 5.76 H new ATOM 0 HE2 MET D 69 22.959 1.187 3.444 1.00 5.76 H new ATOM 0 HE3 MET D 69 23.280 1.250 5.193 1.00 5.76 H new ATOM 1872 N VAL D 70 22.740 4.084 7.079 1.00 10.90 N ATOM 1873 CA VAL D 70 23.716 3.983 8.156 1.00 12.15 C ATOM 1874 C VAL D 70 23.657 5.197 9.080 1.00 13.99 C ATOM 1875 O VAL D 70 24.166 5.158 10.201 1.00 14.65 O ATOM 1876 CB VAL D 70 25.147 3.835 7.602 1.00 10.28 C ATOM 1877 CG1 VAL D 70 26.153 3.728 8.738 1.00 9.43 C ATOM 1878 CG2 VAL D 70 25.236 2.625 6.687 1.00 9.31 C ATOM 0 H VAL D 70 23.136 4.330 6.172 1.00 10.90 H new ATOM 0 HA VAL D 70 23.461 3.091 8.729 1.00 12.15 H new ATOM 0 HB VAL D 70 25.388 4.725 7.020 1.00 10.28 H new ATOM 0 HG11 VAL D 70 27.157 3.624 8.326 1.00 9.43 H new ATOM 0 HG12 VAL D 70 26.104 4.627 9.353 1.00 9.43 H new ATOM 0 HG13 VAL D 70 25.920 2.856 9.350 1.00 9.43 H new ATOM 0 HG21 VAL D 70 26.252 2.533 6.303 1.00 9.31 H new ATOM 0 HG22 VAL D 70 24.977 1.726 7.246 1.00 9.31 H new ATOM 0 HG23 VAL D 70 24.543 2.747 5.854 1.00 9.31 H new ATOM 1888 N PHE D 71 23.033 6.275 8.610 1.00 15.25 N ATOM 1889 CA PHE D 71 22.912 7.491 9.404 1.00 17.44 C ATOM 1890 C PHE D 71 21.988 7.267 10.594 1.00 19.12 C ATOM 1891 O PHE D 71 22.363 7.512 11.740 1.00 19.88 O ATOM 1892 CB PHE D 71 22.385 8.637 8.541 1.00 18.78 C ATOM 1893 CG PHE D 71 22.184 9.918 9.301 1.00 19.89 C ATOM 1894 CD1 PHE D 71 21.004 10.140 10.023 1.00 22.04 C ATOM 1895 CD2 PHE D 71 23.175 10.909 9.300 1.00 18.93 C ATOM 1896 CE1 PHE D 71 20.814 11.329 10.732 1.00 23.28 C ATOM 1897 CE2 PHE D 71 22.991 12.101 10.008 1.00 20.25 C ATOM 1898 CZ PHE D 71 21.809 12.311 10.725 1.00 22.44 C ATOM 0 H PHE D 71 22.605 6.329 7.686 1.00 15.25 H new ATOM 0 HA PHE D 71 23.901 7.755 9.778 1.00 17.44 H new ATOM 0 HB2 PHE D 71 23.083 8.815 7.723 1.00 18.78 H new ATOM 0 HB3 PHE D 71 21.438 8.338 8.093 1.00 18.78 H new ATOM 0 HD1 PHE D 71 20.233 9.384 10.032 1.00 22.04 H new ATOM 0 HD2 PHE D 71 24.089 10.751 8.747 1.00 18.93 H new ATOM 0 HE1 PHE D 71 19.900 11.489 11.285 1.00 23.28 H new ATOM 0 HE2 PHE D 71 23.761 12.858 10.001 1.00 20.25 H new ATOM 0 HZ PHE D 71 21.665 13.231 11.273 1.00 22.44 H new ATOM 1908 N ASP D 72 20.776 6.798 10.314 1.00 19.96 N ATOM 1909 CA ASP D 72 19.797 6.538 11.361 1.00 21.82 C ATOM 1910 C ASP D 72 20.306 5.471 12.326 1.00 20.66 C ATOM 1911 O ASP D 72 20.164 5.602 13.542 1.00 20.33 O ATOM 1912 CB ASP D 72 18.468 6.094 10.747 1.00 23.31 C ATOM 1913 CG ASP D 72 17.355 6.006 11.772 1.00 25.85 C ATOM 1914 OD1 ASP D 72 17.265 4.970 12.463 1.00 26.28 O ATOM 1915 OD2 ASP D 72 16.573 6.974 11.883 1.00 27.49 O ATOM 0 H ASP D 72 20.449 6.591 9.370 1.00 19.96 H new ATOM 0 HA ASP D 72 19.641 7.462 11.917 1.00 21.82 H new ATOM 0 HB2 ASP D 72 18.181 6.795 9.964 1.00 23.31 H new ATOM 0 HB3 ASP D 72 18.598 5.121 10.272 1.00 23.31 H new ATOM 1920 N THR D 73 20.900 4.416 11.775 1.00 20.13 N ATOM 1921 CA THR D 73 21.430 3.327 12.588 1.00 19.06 C ATOM 1922 C THR D 73 22.397 3.854 13.643 1.00 19.50 C ATOM 1923 O THR D 73 22.305 3.497 14.818 1.00 20.09 O ATOM 1924 CB THR D 73 22.133 2.299 11.701 1.00 16.56 C ATOM 1925 OG1 THR D 73 21.209 1.681 10.824 1.00 16.37 O ATOM 1926 CG2 THR D 73 22.827 1.203 12.482 1.00 16.48 C ATOM 0 H THR D 73 21.026 4.293 10.770 1.00 20.13 H new ATOM 0 HA THR D 73 20.595 2.847 13.098 1.00 19.06 H new ATOM 0 HB THR D 73 22.887 2.862 11.151 1.00 16.56 H new ATOM 0 HG1 THR D 73 21.081 2.245 10.033 1.00 16.37 H new ATOM 0 HG21 THR D 73 23.304 0.509 11.790 1.00 16.48 H new ATOM 0 HG22 THR D 73 23.582 1.643 13.134 1.00 16.48 H new ATOM 0 HG23 THR D 73 22.095 0.667 13.086 1.00 16.48 H new ATOM 1934 N LEU D 74 23.323 4.706 13.216 1.00 19.39 N ATOM 1935 CA LEU D 74 24.308 5.282 14.125 1.00 20.02 C ATOM 1936 C LEU D 74 23.624 6.072 15.237 1.00 22.68 C ATOM 1937 O LEU D 74 24.046 6.026 16.393 1.00 23.61 O ATOM 1938 CB LEU D 74 25.273 6.186 13.358 1.00 18.48 C ATOM 1939 CG LEU D 74 26.227 5.456 12.411 1.00 17.31 C ATOM 1940 CD1 LEU D 74 26.737 6.401 11.334 1.00 18.30 C ATOM 1941 CD2 LEU D 74 27.387 4.853 13.188 1.00 15.35 C ATOM 0 H LEU D 74 23.412 5.013 12.247 1.00 19.39 H new ATOM 0 HA LEU D 74 24.871 4.466 14.578 1.00 20.02 H new ATOM 0 HB2 LEU D 74 24.692 6.906 12.781 1.00 18.48 H new ATOM 0 HB3 LEU D 74 25.863 6.755 14.076 1.00 18.48 H new ATOM 0 HG LEU D 74 25.681 4.648 11.925 1.00 17.31 H new ATOM 0 HD11 LEU D 74 27.414 5.864 10.670 1.00 18.30 H new ATOM 0 HD12 LEU D 74 25.895 6.786 10.759 1.00 18.30 H new ATOM 0 HD13 LEU D 74 27.268 7.231 11.800 1.00 18.30 H new ATOM 0 HD21 LEU D 74 28.057 4.337 12.500 1.00 15.35 H new ATOM 0 HD22 LEU D 74 27.933 5.645 13.700 1.00 15.35 H new ATOM 0 HD23 LEU D 74 27.004 4.144 13.922 1.00 15.35 H new ATOM 1953 N LYS D 75 22.566 6.794 14.882 1.00 23.98 N ATOM 1954 CA LYS D 75 21.825 7.589 15.854 1.00 26.63 C ATOM 1955 C LYS D 75 21.449 6.742 17.064 1.00 28.18 C ATOM 1956 O LYS D 75 21.623 7.160 18.208 1.00 30.10 O ATOM 1957 CB LYS D 75 20.565 8.177 15.215 1.00 27.17 C ATOM 1958 CG LYS D 75 19.817 9.141 16.122 1.00 27.79 C ATOM 1959 CD LYS D 75 20.067 10.588 15.727 1.00 27.73 C ATOM 1960 CE LYS D 75 19.199 11.541 16.530 1.00 30.29 C ATOM 1961 NZ LYS D 75 19.952 12.170 17.649 1.00 30.33 N ATOM 0 H LYS D 75 22.203 6.845 13.930 1.00 23.98 H new ATOM 0 HA LYS D 75 22.466 8.406 16.185 1.00 26.63 H new ATOM 0 HB2 LYS D 75 20.841 8.695 14.297 1.00 27.17 H new ATOM 0 HB3 LYS D 75 19.897 7.363 14.933 1.00 27.17 H new ATOM 0 HG2 LYS D 75 18.749 8.930 16.076 1.00 27.79 H new ATOM 0 HG3 LYS D 75 20.129 8.986 17.155 1.00 27.79 H new ATOM 0 HD2 LYS D 75 21.118 10.832 15.882 1.00 27.73 H new ATOM 0 HD3 LYS D 75 19.864 10.717 14.664 1.00 27.73 H new ATOM 0 HE2 LYS D 75 18.810 12.318 15.873 1.00 30.29 H new ATOM 0 HE3 LYS D 75 18.340 11.001 16.929 1.00 30.29 H new ATOM 0 HZ1 LYS D 75 19.324 12.813 18.172 1.00 30.33 H new ATOM 0 HZ2 LYS D 75 20.302 11.430 18.291 1.00 30.33 H new ATOM 0 HZ3 LYS D 75 20.757 12.707 17.267 1.00 30.33 H new ATOM 1975 N ASP D 76 20.940 5.546 16.797 1.00 27.60 N ATOM 1976 CA ASP D 76 20.545 4.628 17.855 1.00 29.31 C ATOM 1977 C ASP D 76 21.772 4.030 18.536 1.00 29.38 C ATOM 1978 O ASP D 76 21.714 3.617 19.694 1.00 31.34 O ATOM 1979 CB ASP D 76 19.666 3.511 17.288 1.00 28.80 C ATOM 1980 CG ASP D 76 18.477 4.048 16.516 1.00 28.45 C ATOM 1981 OD1 ASP D 76 18.680 4.920 15.645 1.00 28.30 O ATOM 1982 OD2 ASP D 76 17.343 3.597 16.784 1.00 28.43 O ATOM 0 H ASP D 76 20.791 5.189 15.853 1.00 27.60 H new ATOM 0 HA ASP D 76 19.974 5.187 18.596 1.00 29.31 H new ATOM 0 HB2 ASP D 76 20.265 2.878 16.634 1.00 28.80 H new ATOM 0 HB3 ASP D 76 19.312 2.881 18.104 1.00 28.80 H new ATOM 1987 N LEU D 77 22.883 3.986 17.805 1.00 27.28 N ATOM 1988 CA LEU D 77 24.128 3.441 18.329 1.00 27.11 C ATOM 1989 C LEU D 77 24.755 4.384 19.352 1.00 28.93 C ATOM 1990 O LEU D 77 25.114 3.971 20.454 1.00 30.04 O ATOM 1991 CB LEU D 77 25.113 3.193 17.184 1.00 24.79 C ATOM 1992 CG LEU D 77 24.896 1.894 16.406 1.00 24.25 C ATOM 1993 CD1 LEU D 77 25.717 1.897 15.126 1.00 22.46 C ATOM 1994 CD2 LEU D 77 25.251 0.692 17.267 1.00 25.63 C ATOM 0 H LEU D 77 22.944 4.323 16.844 1.00 27.28 H new ATOM 0 HA LEU D 77 23.901 2.498 18.826 1.00 27.11 H new ATOM 0 HB2 LEU D 77 25.053 4.029 16.487 1.00 24.79 H new ATOM 0 HB3 LEU D 77 26.124 3.189 17.591 1.00 24.79 H new ATOM 0 HG LEU D 77 23.842 1.824 16.138 1.00 24.25 H new ATOM 0 HD11 LEU D 77 25.551 0.966 14.585 1.00 22.46 H new ATOM 0 HD12 LEU D 77 25.415 2.738 14.502 1.00 22.46 H new ATOM 0 HD13 LEU D 77 26.775 1.990 15.372 1.00 22.46 H new ATOM 0 HD21 LEU D 77 25.091 -0.224 16.698 1.00 25.63 H new ATOM 0 HD22 LEU D 77 26.297 0.755 17.566 1.00 25.63 H new ATOM 0 HD23 LEU D 77 24.620 0.682 18.156 1.00 25.63 H new ATOM 2006 N TYR D 78 24.890 5.650 18.974 1.00 29.40 N ATOM 2007 CA TYR D 78 25.483 6.655 19.853 1.00 31.26 C ATOM 2008 C TYR D 78 24.576 6.958 21.043 1.00 33.06 C ATOM 2009 O TYR D 78 24.984 6.819 22.196 1.00 33.68 O ATOM 2010 CB TYR D 78 25.766 7.939 19.073 1.00 31.67 C ATOM 2011 CG TYR D 78 27.131 7.965 18.424 1.00 31.48 C ATOM 2012 CD1 TYR D 78 28.297 7.804 19.193 1.00 32.05 C ATOM 2013 CD2 TYR D 78 27.267 8.148 17.037 1.00 30.80 C ATOM 2014 CE1 TYR D 78 29.561 7.826 18.597 1.00 32.01 C ATOM 2015 CE2 TYR D 78 28.527 8.171 16.434 1.00 30.69 C ATOM 2016 CZ TYR D 78 29.671 8.009 17.218 1.00 31.34 C ATOM 2017 OH TYR D 78 30.913 8.032 16.628 1.00 31.39 O ATOM 0 H TYR D 78 24.597 6.007 18.064 1.00 29.40 H new ATOM 0 HA TYR D 78 26.421 6.252 20.235 1.00 31.26 H new ATOM 0 HB2 TYR D 78 25.004 8.062 18.303 1.00 31.67 H new ATOM 0 HB3 TYR D 78 25.677 8.791 19.747 1.00 31.67 H new ATOM 0 HD1 TYR D 78 28.215 7.661 20.260 1.00 32.05 H new ATOM 0 HD2 TYR D 78 26.384 8.273 16.428 1.00 30.80 H new ATOM 0 HE1 TYR D 78 30.448 7.702 19.201 1.00 32.01 H new ATOM 0 HE2 TYR D 78 28.616 8.313 15.367 1.00 30.69 H new ATOM 0 HH TYR D 78 30.814 8.167 15.662 1.00 31.39 H new ATOM 2027 N LYS D 79 23.348 7.380 20.758 1.00 34.00 N ATOM 2028 CA LYS D 79 22.387 7.710 21.809 1.00 35.85 C ATOM 2029 C LYS D 79 22.354 6.629 22.887 1.00 37.30 C ATOM 2030 O LYS D 79 22.109 6.914 24.059 1.00 37.95 O ATOM 2031 CB LYS D 79 20.990 7.899 21.213 1.00 35.48 C ATOM 2032 CG LYS D 79 20.317 6.596 20.810 1.00 35.04 C ATOM 2033 CD LYS D 79 18.882 6.826 20.364 1.00 36.60 C ATOM 2034 CE LYS D 79 17.902 6.031 21.211 1.00 36.70 C ATOM 2035 NZ LYS D 79 17.501 4.759 20.548 1.00 37.30 N ATOM 0 H LYS D 79 22.994 7.502 19.809 1.00 34.00 H new ATOM 0 HA LYS D 79 22.706 8.643 22.273 1.00 35.85 H new ATOM 0 HB2 LYS D 79 20.361 8.413 21.940 1.00 35.48 H new ATOM 0 HB3 LYS D 79 21.062 8.546 20.339 1.00 35.48 H new ATOM 0 HG2 LYS D 79 20.880 6.129 20.002 1.00 35.04 H new ATOM 0 HG3 LYS D 79 20.331 5.902 21.651 1.00 35.04 H new ATOM 0 HD2 LYS D 79 18.645 7.888 20.431 1.00 36.60 H new ATOM 0 HD3 LYS D 79 18.775 6.541 19.317 1.00 36.60 H new ATOM 0 HE2 LYS D 79 18.354 5.810 22.178 1.00 36.70 H new ATOM 0 HE3 LYS D 79 17.016 6.635 21.404 1.00 36.70 H new ATOM 0 HZ1 LYS D 79 16.832 4.246 21.157 1.00 37.30 H new ATOM 0 HZ2 LYS D 79 17.047 4.971 19.637 1.00 37.30 H new ATOM 0 HZ3 LYS D 79 18.344 4.171 20.387 1.00 37.30 H new