USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 MET CE :methyl -156:sc= -1.61 (180deg=-1.58) USER MOD Set 2.2: C 73 THR OG1 : rot 120:sc= 0 USER MOD Set 3.1: B 73 THR OG1 : rot 76:sc= 0.0312 USER MOD Set 3.2: C 78 TYR OH : rot -92:sc= -3.56! USER MOD Set 3.3: D 62 GLN : amide:sc= -1.55 K(o=-5.1,f=-5.7) USER MOD Set 4.1: A 78 TYR OH : rot -100:sc= -4.03! USER MOD Set 4.2: B 62 GLN : amide:sc= -1.55 K(o=-5.5,f=-6.3) USER MOD Set 4.3: D 73 THR OG1 : rot 77:sc= 0.0377 USER MOD Set 5.1: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 73 THR OG1 : rot 120:sc= 0 USER MOD Set 6.2: C 69 MET CE :methyl -161:sc= -1.68! (180deg=-1.66!) USER MOD Single : A 62 GLN : amide:sc= -1.49! C(o=-1.5!,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.481 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0687) 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 -46:sc= -1.29! USER MOD Single : B 63 SER OG : rot -85:sc= 0.775 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl 160:sc= -3.68 (180deg=-6.65!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 165:sc= -0.403 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 62 GLN : amide:sc= -1.43! C(o=-1.4!,f=-11!) USER MOD Single : C 63 SER OG : rot 180:sc= -0.44 USER MOD Single : C 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0116) 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 -71:sc= -1.98! USER MOD Single : D 63 SER OG : rot -85:sc= 0.741 USER MOD Single : D 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 MET CE :methyl 157:sc= -3.42 (180deg=-6.4!) USER MOD Single : D 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 78 TYR OH : rot 165:sc= -0.408 USER MOD Single : D 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 55 24.697 -12.277 -17.233 1.00 30.62 N ATOM 54 CA ALA A 55 24.653 -10.951 -16.631 1.00 28.35 C ATOM 55 C ALA A 55 23.881 -10.976 -15.317 1.00 26.33 C ATOM 56 O ALA A 55 24.269 -10.327 -14.345 1.00 24.82 O ATOM 57 CB ALA A 55 24.030 -9.953 -17.595 1.00 27.64 C ATOM 0 HA ALA A 55 25.675 -10.639 -16.418 1.00 28.35 H new ATOM 0 HB1 ALA A 55 24.004 -8.967 -17.131 1.00 27.64 H new ATOM 0 HB2 ALA A 55 24.624 -9.909 -18.508 1.00 27.64 H new ATOM 0 HB3 ALA A 55 23.015 -10.267 -17.838 1.00 27.64 H new ATOM 63 N GLU A 56 22.788 -11.733 -15.292 1.00 26.47 N ATOM 64 CA GLU A 56 21.966 -11.846 -14.094 1.00 24.83 C ATOM 65 C GLU A 56 22.773 -12.433 -12.944 1.00 24.95 C ATOM 66 O GLU A 56 22.899 -11.822 -11.883 1.00 24.73 O ATOM 67 CB GLU A 56 20.738 -12.716 -14.369 1.00 25.69 C ATOM 68 CG GLU A 56 19.475 -12.219 -13.684 1.00 25.67 C ATOM 69 CD GLU A 56 18.250 -12.332 -14.569 1.00 26.28 C ATOM 70 OE1 GLU A 56 18.400 -12.240 -15.805 1.00 27.38 O ATOM 71 OE2 GLU A 56 17.139 -12.512 -14.026 1.00 25.82 O ATOM 0 H GLU A 56 22.452 -12.276 -16.087 1.00 26.47 H new ATOM 0 HA GLU A 56 21.634 -10.847 -13.813 1.00 24.83 H new ATOM 0 HB2 GLU A 56 20.566 -12.757 -15.445 1.00 25.69 H new ATOM 0 HB3 GLU A 56 20.943 -13.735 -14.040 1.00 25.69 H new ATOM 0 HG2 GLU A 56 19.313 -12.791 -12.770 1.00 25.67 H new ATOM 0 HG3 GLU A 56 19.611 -11.178 -13.389 1.00 25.67 H new ATOM 78 N ARG A 57 23.324 -13.619 -13.166 1.00 25.43 N ATOM 79 CA ARG A 57 24.129 -14.287 -12.153 1.00 25.60 C ATOM 80 C ARG A 57 25.402 -13.497 -11.883 1.00 26.25 C ATOM 81 O ARG A 57 25.762 -13.245 -10.733 1.00 26.61 O ATOM 82 CB ARG A 57 24.479 -15.708 -12.601 1.00 25.37 C ATOM 83 CG ARG A 57 23.821 -16.790 -11.761 1.00 24.18 C ATOM 84 CD ARG A 57 24.630 -18.076 -11.777 1.00 24.07 C ATOM 85 NE ARG A 57 24.297 -18.917 -12.924 1.00 24.44 N ATOM 86 CZ ARG A 57 24.884 -20.082 -13.177 1.00 24.81 C ATOM 87 NH1 ARG A 57 25.828 -20.541 -12.367 1.00 24.89 N ATOM 88 NH2 ARG A 57 24.526 -20.788 -14.241 1.00 25.17 N ATOM 0 H ARG A 57 23.228 -14.138 -14.039 1.00 25.43 H new ATOM 0 HA ARG A 57 23.548 -14.343 -11.233 1.00 25.60 H new ATOM 0 HB2 ARG A 57 24.181 -15.836 -13.642 1.00 25.37 H new ATOM 0 HB3 ARG A 57 25.561 -15.836 -12.561 1.00 25.37 H new ATOM 0 HG2 ARG A 57 23.713 -16.440 -10.735 1.00 24.18 H new ATOM 0 HG3 ARG A 57 22.817 -16.985 -12.139 1.00 24.18 H new ATOM 0 HD2 ARG A 57 25.693 -17.836 -11.800 1.00 24.07 H new ATOM 0 HD3 ARG A 57 24.448 -18.630 -10.856 1.00 24.07 H new ATOM 0 HE ARG A 57 23.574 -18.592 -13.566 1.00 24.44 H new ATOM 0 HH11 ARG A 57 26.105 -20.000 -11.548 1.00 24.89 H new ATOM 0 HH12 ARG A 57 26.277 -21.435 -12.563 1.00 24.89 H new ATOM 0 HH21 ARG A 57 23.800 -20.437 -14.865 1.00 25.17 H new ATOM 0 HH22 ARG A 57 24.977 -21.682 -14.435 1.00 25.17 H new ATOM 102 N LEU A 58 26.074 -13.106 -12.957 1.00 26.43 N ATOM 103 CA LEU A 58 27.306 -12.335 -12.854 1.00 27.09 C ATOM 104 C LEU A 58 27.090 -11.083 -12.012 1.00 25.25 C ATOM 105 O LEU A 58 27.932 -10.720 -11.190 1.00 24.22 O ATOM 106 CB LEU A 58 27.803 -11.948 -14.250 1.00 27.67 C ATOM 107 CG LEU A 58 29.034 -11.042 -14.279 1.00 26.94 C ATOM 108 CD1 LEU A 58 28.647 -9.602 -13.987 1.00 24.73 C ATOM 109 CD2 LEU A 58 30.075 -11.526 -13.283 1.00 27.27 C ATOM 0 H LEU A 58 25.785 -13.311 -13.914 1.00 26.43 H new ATOM 0 HA LEU A 58 28.059 -12.954 -12.366 1.00 27.09 H new ATOM 0 HB2 LEU A 58 28.031 -12.860 -14.802 1.00 27.67 H new ATOM 0 HB3 LEU A 58 26.992 -11.448 -14.780 1.00 27.67 H new ATOM 0 HG LEU A 58 29.467 -11.084 -15.279 1.00 26.94 H new ATOM 0 HD11 LEU A 58 29.537 -8.974 -14.012 1.00 24.73 H new ATOM 0 HD12 LEU A 58 27.937 -9.256 -14.739 1.00 24.73 H new ATOM 0 HD13 LEU A 58 28.188 -9.542 -13.000 1.00 24.73 H new ATOM 0 HD21 LEU A 58 30.944 -10.869 -13.317 1.00 27.27 H new ATOM 0 HD22 LEU A 58 29.651 -11.515 -12.279 1.00 27.27 H new ATOM 0 HD23 LEU A 58 30.377 -12.542 -13.537 1.00 27.27 H new ATOM 121 N ALA A 59 25.953 -10.427 -12.222 1.00 24.99 N ATOM 122 CA ALA A 59 25.621 -9.215 -11.483 1.00 23.32 C ATOM 123 C ALA A 59 25.580 -9.482 -9.984 1.00 22.87 C ATOM 124 O ALA A 59 26.046 -8.669 -9.185 1.00 22.60 O ATOM 125 CB ALA A 59 24.287 -8.657 -11.958 1.00 21.19 C ATOM 0 H ALA A 59 25.246 -10.715 -12.898 1.00 24.99 H new ATOM 0 HA ALA A 59 26.400 -8.477 -11.673 1.00 23.32 H new ATOM 0 HB1 ALA A 59 24.051 -7.752 -11.398 1.00 21.19 H new ATOM 0 HB2 ALA A 59 24.349 -8.421 -13.020 1.00 21.19 H new ATOM 0 HB3 ALA A 59 23.504 -9.398 -11.796 1.00 21.19 H new ATOM 131 N ASP A 60 25.020 -10.627 -9.607 1.00 23.20 N ATOM 132 CA ASP A 60 24.919 -11.002 -8.202 1.00 23.30 C ATOM 133 C ASP A 60 26.299 -11.057 -7.555 1.00 23.04 C ATOM 134 O ASP A 60 26.458 -10.724 -6.381 1.00 23.08 O ATOM 135 CB ASP A 60 24.221 -12.356 -8.060 1.00 25.30 C ATOM 136 CG ASP A 60 23.937 -12.711 -6.614 1.00 25.68 C ATOM 137 OD1 ASP A 60 24.168 -11.854 -5.735 1.00 25.05 O ATOM 138 OD2 ASP A 60 23.483 -13.847 -6.359 1.00 26.74 O ATOM 0 H ASP A 60 24.629 -11.311 -10.255 1.00 23.20 H new ATOM 0 HA ASP A 60 24.327 -10.243 -7.691 1.00 23.30 H new ATOM 0 HB2 ASP A 60 23.285 -12.339 -8.618 1.00 25.30 H new ATOM 0 HB3 ASP A 60 24.844 -13.131 -8.506 1.00 25.30 H new ATOM 143 N GLU A 61 27.294 -11.479 -8.329 1.00 22.93 N ATOM 144 CA GLU A 61 28.660 -11.575 -7.830 1.00 22.73 C ATOM 145 C GLU A 61 29.177 -10.208 -7.400 1.00 20.77 C ATOM 146 O GLU A 61 29.594 -10.021 -6.257 1.00 20.46 O ATOM 147 CB GLU A 61 29.578 -12.168 -8.901 1.00 23.68 C ATOM 148 CG GLU A 61 30.980 -12.474 -8.398 1.00 24.57 C ATOM 149 CD GLU A 61 31.059 -13.798 -7.665 1.00 25.74 C ATOM 150 OE1 GLU A 61 30.025 -14.236 -7.117 1.00 25.81 O ATOM 151 OE2 GLU A 61 32.154 -14.397 -7.638 1.00 26.78 O ATOM 0 H GLU A 61 27.179 -11.759 -9.303 1.00 22.93 H new ATOM 0 HA GLU A 61 28.658 -12.233 -6.961 1.00 22.73 H new ATOM 0 HB2 GLU A 61 29.130 -13.085 -9.285 1.00 23.68 H new ATOM 0 HB3 GLU A 61 29.645 -11.472 -9.737 1.00 23.68 H new ATOM 0 HG2 GLU A 61 31.670 -12.488 -9.242 1.00 24.57 H new ATOM 0 HG3 GLU A 61 31.306 -11.674 -7.733 1.00 24.57 H new ATOM 158 N GLN A 62 29.143 -9.256 -8.324 1.00 19.87 N ATOM 159 CA GLN A 62 29.605 -7.902 -8.043 1.00 18.35 C ATOM 160 C GLN A 62 28.944 -7.358 -6.781 1.00 16.96 C ATOM 161 O GLN A 62 29.582 -6.678 -5.977 1.00 17.04 O ATOM 162 CB GLN A 62 29.305 -6.981 -9.227 1.00 16.73 C ATOM 163 CG GLN A 62 30.417 -6.939 -10.262 1.00 17.69 C ATOM 164 CD GLN A 62 30.702 -8.300 -10.868 1.00 17.80 C ATOM 165 OE1 GLN A 62 29.902 -9.228 -10.742 1.00 16.75 O ATOM 166 NE2 GLN A 62 31.846 -8.425 -11.531 1.00 19.23 N ATOM 0 H GLN A 62 28.800 -9.396 -9.274 1.00 19.87 H new ATOM 0 HA GLN A 62 30.683 -7.936 -7.885 1.00 18.35 H new ATOM 0 HB2 GLN A 62 28.384 -7.310 -9.708 1.00 16.73 H new ATOM 0 HB3 GLN A 62 29.127 -5.972 -8.856 1.00 16.73 H new ATOM 0 HG2 GLN A 62 30.144 -6.242 -11.055 1.00 17.69 H new ATOM 0 HG3 GLN A 62 31.325 -6.554 -9.798 1.00 17.69 H new ATOM 0 HE21 GLN A 62 32.479 -7.629 -11.610 1.00 19.23 H new ATOM 0 HE22 GLN A 62 32.091 -9.317 -11.961 1.00 19.23 H new ATOM 175 N SER A 63 27.663 -7.667 -6.612 1.00 16.03 N ATOM 176 CA SER A 63 26.915 -7.215 -5.446 1.00 14.70 C ATOM 177 C SER A 63 27.480 -7.833 -4.172 1.00 13.44 C ATOM 178 O SER A 63 27.656 -7.150 -3.163 1.00 12.44 O ATOM 179 CB SER A 63 25.435 -7.577 -5.590 1.00 14.44 C ATOM 180 OG SER A 63 25.113 -7.878 -6.937 1.00 14.06 O ATOM 0 H SER A 63 27.121 -8.229 -7.268 1.00 16.03 H new ATOM 0 HA SER A 63 27.010 -6.131 -5.379 1.00 14.70 H new ATOM 0 HB2 SER A 63 25.204 -8.434 -4.957 1.00 14.44 H new ATOM 0 HB3 SER A 63 24.819 -6.748 -5.242 1.00 14.44 H new ATOM 0 HG SER A 63 24.163 -8.108 -7.003 1.00 14.06 H new ATOM 186 N GLU A 64 27.768 -9.130 -4.227 1.00 13.59 N ATOM 187 CA GLU A 64 28.319 -9.839 -3.077 1.00 12.64 C ATOM 188 C GLU A 64 29.664 -9.245 -2.665 1.00 12.53 C ATOM 189 O GLU A 64 30.109 -9.424 -1.531 1.00 12.42 O ATOM 190 CB GLU A 64 28.477 -11.327 -3.393 1.00 13.15 C ATOM 191 CG GLU A 64 27.519 -12.216 -2.617 1.00 13.75 C ATOM 192 CD GLU A 64 28.238 -13.199 -1.713 1.00 15.69 C ATOM 193 OE1 GLU A 64 28.766 -14.205 -2.231 1.00 17.92 O ATOM 194 OE2 GLU A 64 28.272 -12.962 -0.488 1.00 15.20 O ATOM 0 H GLU A 64 27.629 -9.710 -5.054 1.00 13.59 H new ATOM 0 HA GLU A 64 27.623 -9.727 -2.245 1.00 12.64 H new ATOM 0 HB2 GLU A 64 28.321 -11.482 -4.460 1.00 13.15 H new ATOM 0 HB3 GLU A 64 29.501 -11.630 -3.173 1.00 13.15 H new ATOM 0 HG2 GLU A 64 26.857 -11.593 -2.016 1.00 13.75 H new ATOM 0 HG3 GLU A 64 26.890 -12.765 -3.318 1.00 13.75 H new ATOM 201 N LEU A 65 30.305 -8.532 -3.587 1.00 12.97 N ATOM 202 CA LEU A 65 31.590 -7.907 -3.306 1.00 12.86 C ATOM 203 C LEU A 65 31.388 -6.623 -2.511 1.00 11.92 C ATOM 204 O LEU A 65 32.175 -6.298 -1.622 1.00 13.33 O ATOM 205 CB LEU A 65 32.338 -7.610 -4.607 1.00 12.45 C ATOM 206 CG LEU A 65 33.433 -8.616 -4.966 1.00 13.96 C ATOM 207 CD1 LEU A 65 33.803 -8.500 -6.436 1.00 15.26 C ATOM 208 CD2 LEU A 65 34.658 -8.406 -4.087 1.00 15.66 C ATOM 0 H LEU A 65 29.955 -8.374 -4.532 1.00 12.97 H new ATOM 0 HA LEU A 65 32.188 -8.598 -2.713 1.00 12.86 H new ATOM 0 HB2 LEU A 65 31.617 -7.574 -5.423 1.00 12.45 H new ATOM 0 HB3 LEU A 65 32.786 -6.619 -4.533 1.00 12.45 H new ATOM 0 HG LEU A 65 33.050 -9.621 -4.788 1.00 13.96 H new ATOM 0 HD11 LEU A 65 34.583 -9.223 -6.673 1.00 15.26 H new ATOM 0 HD12 LEU A 65 32.924 -8.700 -7.049 1.00 15.26 H new ATOM 0 HD13 LEU A 65 34.167 -7.493 -6.641 1.00 15.26 H new ATOM 0 HD21 LEU A 65 35.427 -9.130 -4.356 1.00 15.66 H new ATOM 0 HD22 LEU A 65 35.043 -7.397 -4.234 1.00 15.66 H new ATOM 0 HD23 LEU A 65 34.383 -8.541 -3.041 1.00 15.66 H new ATOM 220 N VAL A 66 30.318 -5.902 -2.834 1.00 9.71 N ATOM 221 CA VAL A 66 29.998 -4.660 -2.148 1.00 8.95 C ATOM 222 C VAL A 66 29.453 -4.939 -0.752 1.00 9.06 C ATOM 223 O VAL A 66 29.781 -4.239 0.206 1.00 10.09 O ATOM 224 CB VAL A 66 28.965 -3.831 -2.935 1.00 8.94 C ATOM 225 CG1 VAL A 66 28.708 -2.502 -2.241 1.00 8.87 C ATOM 226 CG2 VAL A 66 29.433 -3.612 -4.365 1.00 9.15 C ATOM 0 H VAL A 66 29.659 -6.160 -3.568 1.00 9.71 H new ATOM 0 HA VAL A 66 30.923 -4.089 -2.072 1.00 8.95 H new ATOM 0 HB VAL A 66 28.028 -4.386 -2.966 1.00 8.94 H new ATOM 0 HG11 VAL A 66 27.976 -1.930 -2.811 1.00 8.87 H new ATOM 0 HG12 VAL A 66 28.325 -2.684 -1.237 1.00 8.87 H new ATOM 0 HG13 VAL A 66 29.639 -1.939 -2.177 1.00 8.87 H new ATOM 0 HG21 VAL A 66 28.690 -3.025 -4.905 1.00 9.15 H new ATOM 0 HG22 VAL A 66 30.383 -3.078 -4.359 1.00 9.15 H new ATOM 0 HG23 VAL A 66 29.561 -4.576 -4.858 1.00 9.15 H new ATOM 236 N LYS A 67 28.621 -5.973 -0.644 1.00 8.56 N ATOM 237 CA LYS A 67 28.033 -6.350 0.635 1.00 9.61 C ATOM 238 C LYS A 67 29.114 -6.817 1.606 1.00 10.67 C ATOM 239 O LYS A 67 29.178 -6.360 2.747 1.00 11.56 O ATOM 240 CB LYS A 67 26.981 -7.450 0.439 1.00 11.73 C ATOM 241 CG LYS A 67 27.569 -8.837 0.225 1.00 13.31 C ATOM 242 CD LYS A 67 26.486 -9.873 -0.026 1.00 15.14 C ATOM 243 CE LYS A 67 25.485 -9.924 1.117 1.00 16.80 C ATOM 244 NZ LYS A 67 24.602 -11.120 1.029 1.00 18.48 N ATOM 0 H LYS A 67 28.340 -6.563 -1.427 1.00 8.56 H new ATOM 0 HA LYS A 67 27.544 -5.473 1.059 1.00 9.61 H new ATOM 0 HB2 LYS A 67 26.328 -7.474 1.312 1.00 11.73 H new ATOM 0 HB3 LYS A 67 26.358 -7.194 -0.418 1.00 11.73 H new ATOM 0 HG2 LYS A 67 28.255 -8.815 -0.622 1.00 13.31 H new ATOM 0 HG3 LYS A 67 28.152 -9.124 1.100 1.00 13.31 H new ATOM 0 HD2 LYS A 67 25.966 -9.639 -0.955 1.00 15.14 H new ATOM 0 HD3 LYS A 67 26.943 -10.854 -0.154 1.00 15.14 H new ATOM 0 HE2 LYS A 67 26.019 -9.936 2.067 1.00 16.80 H new ATOM 0 HE3 LYS A 67 24.875 -9.021 1.106 1.00 16.80 H new ATOM 0 HZ1 LYS A 67 23.811 -11.017 1.696 1.00 18.48 H new ATOM 0 HZ2 LYS A 67 24.230 -11.206 0.062 1.00 18.48 H new ATOM 0 HZ3 LYS A 67 25.148 -11.973 1.267 1.00 18.48 H new ATOM 258 N LYS A 68 29.966 -7.727 1.141 1.00 10.74 N ATOM 259 CA LYS A 68 31.049 -8.248 1.965 1.00 11.87 C ATOM 260 C LYS A 68 32.012 -7.129 2.339 1.00 10.13 C ATOM 261 O LYS A 68 32.570 -7.113 3.436 1.00 10.43 O ATOM 262 CB LYS A 68 31.795 -9.362 1.227 1.00 14.25 C ATOM 263 CG LYS A 68 31.474 -10.755 1.744 1.00 15.55 C ATOM 264 CD LYS A 68 31.458 -11.776 0.619 1.00 17.16 C ATOM 265 CE LYS A 68 32.866 -12.141 0.176 1.00 19.42 C ATOM 266 NZ LYS A 68 33.159 -13.585 0.389 1.00 21.81 N ATOM 0 H LYS A 68 29.926 -8.117 0.199 1.00 10.74 H new ATOM 0 HA LYS A 68 30.621 -8.663 2.878 1.00 11.87 H new ATOM 0 HB2 LYS A 68 31.549 -9.312 0.166 1.00 14.25 H new ATOM 0 HB3 LYS A 68 32.868 -9.189 1.314 1.00 14.25 H new ATOM 0 HG2 LYS A 68 32.213 -11.046 2.491 1.00 15.55 H new ATOM 0 HG3 LYS A 68 30.504 -10.745 2.242 1.00 15.55 H new ATOM 0 HD2 LYS A 68 30.935 -12.674 0.949 1.00 17.16 H new ATOM 0 HD3 LYS A 68 30.901 -11.376 -0.228 1.00 17.16 H new ATOM 0 HE2 LYS A 68 32.989 -11.898 -0.879 1.00 19.42 H new ATOM 0 HE3 LYS A 68 33.588 -11.539 0.728 1.00 19.42 H new ATOM 0 HZ1 LYS A 68 34.128 -13.793 0.074 1.00 21.81 H new ATOM 0 HZ2 LYS A 68 33.067 -13.813 1.400 1.00 21.81 H new ATOM 0 HZ3 LYS A 68 32.487 -14.160 -0.158 1.00 21.81 H new ATOM 280 N MET A 69 32.192 -6.188 1.417 1.00 8.59 N ATOM 281 CA MET A 69 33.075 -5.053 1.643 1.00 7.18 C ATOM 282 C MET A 69 32.477 -4.119 2.690 1.00 4.90 C ATOM 283 O MET A 69 33.166 -3.674 3.609 1.00 4.95 O ATOM 284 CB MET A 69 33.313 -4.303 0.327 1.00 6.91 C ATOM 285 CG MET A 69 33.964 -2.940 0.501 1.00 5.85 C ATOM 286 SD MET A 69 32.768 -1.592 0.435 1.00 5.40 S ATOM 287 CE MET A 69 32.624 -1.351 -1.334 1.00 7.67 C ATOM 0 H MET A 69 31.736 -6.191 0.505 1.00 8.59 H new ATOM 0 HA MET A 69 34.032 -5.418 2.014 1.00 7.18 H new ATOM 0 HB2 MET A 69 33.942 -4.915 -0.319 1.00 6.91 H new ATOM 0 HB3 MET A 69 32.359 -4.176 -0.185 1.00 6.91 H new ATOM 0 HG2 MET A 69 34.488 -2.910 1.456 1.00 5.85 H new ATOM 0 HG3 MET A 69 34.713 -2.796 -0.278 1.00 5.85 H new ATOM 0 HE1 MET A 69 32.288 -0.334 -1.536 1.00 7.67 H new ATOM 0 HE2 MET A 69 33.594 -1.512 -1.803 1.00 7.67 H new ATOM 0 HE3 MET A 69 31.902 -2.060 -1.740 1.00 7.67 H new ATOM 297 N VAL A 70 31.186 -3.832 2.547 1.00 3.87 N ATOM 298 CA VAL A 70 30.487 -2.960 3.480 1.00 2.64 C ATOM 299 C VAL A 70 30.408 -3.607 4.859 1.00 4.43 C ATOM 300 O VAL A 70 30.482 -2.925 5.881 1.00 4.96 O ATOM 301 CB VAL A 70 29.065 -2.623 2.966 1.00 3.15 C ATOM 302 CG1 VAL A 70 28.212 -1.966 4.047 1.00 3.05 C ATOM 303 CG2 VAL A 70 29.154 -1.725 1.744 1.00 3.31 C ATOM 0 H VAL A 70 30.604 -4.193 1.791 1.00 3.87 H new ATOM 0 HA VAL A 70 31.052 -2.031 3.559 1.00 2.64 H new ATOM 0 HB VAL A 70 28.579 -3.559 2.691 1.00 3.15 H new ATOM 0 HG11 VAL A 70 27.223 -1.746 3.646 1.00 3.05 H new ATOM 0 HG12 VAL A 70 28.117 -2.642 4.897 1.00 3.05 H new ATOM 0 HG13 VAL A 70 28.686 -1.040 4.372 1.00 3.05 H new ATOM 0 HG21 VAL A 70 28.150 -1.493 1.389 1.00 3.31 H new ATOM 0 HG22 VAL A 70 29.668 -0.801 2.008 1.00 3.31 H new ATOM 0 HG23 VAL A 70 29.708 -2.236 0.957 1.00 3.31 H new ATOM 313 N PHE A 71 30.264 -4.928 4.882 1.00 6.21 N ATOM 314 CA PHE A 71 30.184 -5.659 6.138 1.00 8.55 C ATOM 315 C PHE A 71 31.368 -5.307 7.035 1.00 8.44 C ATOM 316 O PHE A 71 31.191 -4.798 8.139 1.00 9.81 O ATOM 317 CB PHE A 71 30.147 -7.168 5.879 1.00 10.61 C ATOM 318 CG PHE A 71 30.314 -7.995 7.123 1.00 11.73 C ATOM 319 CD1 PHE A 71 29.224 -8.237 7.971 1.00 13.70 C ATOM 320 CD2 PHE A 71 31.565 -8.529 7.459 1.00 11.16 C ATOM 321 CE1 PHE A 71 29.380 -8.999 9.132 1.00 14.92 C ATOM 322 CE2 PHE A 71 31.727 -9.292 8.618 1.00 12.62 C ATOM 323 CZ PHE A 71 30.634 -9.526 9.456 1.00 14.40 C ATOM 0 H PHE A 71 30.201 -5.511 4.047 1.00 6.21 H new ATOM 0 HA PHE A 71 29.263 -5.371 6.645 1.00 8.55 H new ATOM 0 HB2 PHE A 71 29.199 -7.424 5.407 1.00 10.61 H new ATOM 0 HB3 PHE A 71 30.935 -7.427 5.172 1.00 10.61 H new ATOM 0 HD1 PHE A 71 28.254 -7.831 7.725 1.00 13.70 H new ATOM 0 HD2 PHE A 71 32.413 -8.349 6.815 1.00 11.16 H new ATOM 0 HE1 PHE A 71 28.534 -9.181 9.778 1.00 14.92 H new ATOM 0 HE2 PHE A 71 32.696 -9.700 8.866 1.00 12.62 H new ATOM 0 HZ PHE A 71 30.758 -10.114 10.354 1.00 14.40 H new ATOM 333 N ASP A 72 32.574 -5.581 6.549 1.00 7.26 N ATOM 334 CA ASP A 72 33.786 -5.290 7.306 1.00 7.25 C ATOM 335 C ASP A 72 33.789 -3.844 7.787 1.00 6.89 C ATOM 336 O ASP A 72 34.017 -3.573 8.966 1.00 7.18 O ATOM 337 CB ASP A 72 35.026 -5.558 6.451 1.00 5.85 C ATOM 338 CG ASP A 72 36.097 -6.319 7.207 1.00 6.98 C ATOM 339 OD1 ASP A 72 35.993 -7.561 7.295 1.00 7.97 O ATOM 340 OD2 ASP A 72 37.041 -5.674 7.710 1.00 7.28 O ATOM 0 H ASP A 72 32.738 -6.004 5.635 1.00 7.26 H new ATOM 0 HA ASP A 72 33.807 -5.946 8.177 1.00 7.25 H new ATOM 0 HB2 ASP A 72 34.738 -6.125 5.566 1.00 5.85 H new ATOM 0 HB3 ASP A 72 35.435 -4.610 6.103 1.00 5.85 H new ATOM 345 N THR A 73 33.527 -2.917 6.870 1.00 7.28 N ATOM 346 CA THR A 73 33.494 -1.500 7.211 1.00 8.36 C ATOM 347 C THR A 73 32.469 -1.247 8.311 1.00 11.34 C ATOM 348 O THR A 73 32.827 -0.969 9.455 1.00 12.94 O ATOM 349 CB THR A 73 33.163 -0.657 5.973 1.00 7.49 C ATOM 350 OG1 THR A 73 34.245 -0.664 5.059 1.00 7.62 O ATOM 351 CG2 THR A 73 32.840 0.792 6.289 1.00 7.97 C ATOM 0 H THR A 73 33.335 -3.121 5.889 1.00 7.28 H new ATOM 0 HA THR A 73 34.479 -1.208 7.575 1.00 8.36 H new ATOM 0 HB THR A 73 32.274 -1.121 5.544 1.00 7.49 H new ATOM 0 HG1 THR A 73 33.949 -1.041 4.204 1.00 7.62 H new ATOM 0 HG21 THR A 73 32.617 1.325 5.365 1.00 7.97 H new ATOM 0 HG22 THR A 73 31.975 0.836 6.951 1.00 7.97 H new ATOM 0 HG23 THR A 73 33.696 1.257 6.778 1.00 7.97 H new ATOM 359 N LEU A 74 31.191 -1.350 7.956 1.00 12.30 N ATOM 360 CA LEU A 74 30.114 -1.136 8.916 1.00 15.18 C ATOM 361 C LEU A 74 30.349 -1.946 10.185 1.00 16.57 C ATOM 362 O LEU A 74 30.035 -1.499 11.287 1.00 18.81 O ATOM 363 CB LEU A 74 28.768 -1.515 8.297 1.00 16.14 C ATOM 364 CG LEU A 74 28.271 -0.581 7.192 1.00 15.97 C ATOM 365 CD1 LEU A 74 26.790 -0.810 6.938 1.00 18.26 C ATOM 366 CD2 LEU A 74 28.537 0.875 7.556 1.00 15.98 C ATOM 0 H LEU A 74 30.877 -1.580 7.013 1.00 12.30 H new ATOM 0 HA LEU A 74 30.100 -0.078 9.179 1.00 15.18 H new ATOM 0 HB2 LEU A 74 28.845 -2.523 7.891 1.00 16.14 H new ATOM 0 HB3 LEU A 74 28.019 -1.546 9.088 1.00 16.14 H new ATOM 0 HG LEU A 74 28.819 -0.805 6.277 1.00 15.97 H new ATOM 0 HD11 LEU A 74 26.448 -0.139 6.150 1.00 18.26 H new ATOM 0 HD12 LEU A 74 26.629 -1.843 6.631 1.00 18.26 H new ATOM 0 HD13 LEU A 74 26.229 -0.612 7.851 1.00 18.26 H new ATOM 0 HD21 LEU A 74 28.176 1.522 6.756 1.00 15.98 H new ATOM 0 HD22 LEU A 74 28.018 1.119 8.483 1.00 15.98 H new ATOM 0 HD23 LEU A 74 29.608 1.027 7.689 1.00 15.98 H new ATOM 378 N LYS A 75 30.911 -3.136 10.020 1.00 15.53 N ATOM 379 CA LYS A 75 31.199 -4.006 11.152 1.00 17.21 C ATOM 380 C LYS A 75 32.059 -3.274 12.172 1.00 16.75 C ATOM 381 O LYS A 75 31.613 -2.968 13.278 1.00 18.35 O ATOM 382 CB LYS A 75 31.917 -5.269 10.677 1.00 17.12 C ATOM 383 CG LYS A 75 32.390 -6.165 11.809 1.00 17.03 C ATOM 384 CD LYS A 75 33.361 -7.223 11.311 1.00 17.44 C ATOM 385 CE LYS A 75 32.811 -8.625 11.516 1.00 20.13 C ATOM 386 NZ LYS A 75 33.197 -9.185 12.840 1.00 22.04 N ATOM 0 H LYS A 75 31.176 -3.521 9.113 1.00 15.53 H new ATOM 0 HA LYS A 75 30.257 -4.290 11.622 1.00 17.21 H new ATOM 0 HB2 LYS A 75 31.246 -5.837 10.032 1.00 17.12 H new ATOM 0 HB3 LYS A 75 32.775 -4.982 10.070 1.00 17.12 H new ATOM 0 HG2 LYS A 75 32.872 -5.560 12.577 1.00 17.03 H new ATOM 0 HG3 LYS A 75 31.531 -6.648 12.276 1.00 17.03 H new ATOM 0 HD2 LYS A 75 33.564 -7.062 10.252 1.00 17.44 H new ATOM 0 HD3 LYS A 75 34.311 -7.123 11.837 1.00 17.44 H new ATOM 0 HE2 LYS A 75 31.724 -8.604 11.434 1.00 20.13 H new ATOM 0 HE3 LYS A 75 33.178 -9.278 10.725 1.00 20.13 H new ATOM 0 HZ1 LYS A 75 32.802 -10.142 12.941 1.00 22.04 H new ATOM 0 HZ2 LYS A 75 34.234 -9.229 12.909 1.00 22.04 H new ATOM 0 HZ3 LYS A 75 32.825 -8.576 13.596 1.00 22.04 H new ATOM 400 N ASP A 76 33.295 -2.991 11.782 1.00 14.57 N ATOM 401 CA ASP A 76 34.230 -2.287 12.650 1.00 13.90 C ATOM 402 C ASP A 76 33.733 -0.877 12.956 1.00 14.55 C ATOM 403 O ASP A 76 33.992 -0.338 14.032 1.00 15.24 O ATOM 404 CB ASP A 76 35.613 -2.220 11.997 1.00 11.16 C ATOM 405 CG ASP A 76 36.713 -2.710 12.919 1.00 10.96 C ATOM 406 OD1 ASP A 76 36.645 -2.417 14.131 1.00 11.10 O ATOM 407 OD2 ASP A 76 37.642 -3.385 12.429 1.00 10.94 O ATOM 0 H ASP A 76 33.674 -3.239 10.868 1.00 14.57 H new ATOM 0 HA ASP A 76 34.303 -2.839 13.587 1.00 13.90 H new ATOM 0 HB2 ASP A 76 35.611 -2.820 11.087 1.00 11.16 H new ATOM 0 HB3 ASP A 76 35.822 -1.192 11.701 1.00 11.16 H new ATOM 412 N LEU A 77 33.018 -0.282 12.004 1.00 14.68 N ATOM 413 CA LEU A 77 32.488 1.064 12.176 1.00 16.06 C ATOM 414 C LEU A 77 31.459 1.100 13.302 1.00 18.38 C ATOM 415 O LEU A 77 31.635 1.808 14.294 1.00 19.34 O ATOM 416 CB LEU A 77 31.870 1.556 10.860 1.00 16.76 C ATOM 417 CG LEU A 77 30.897 2.735 10.975 1.00 18.62 C ATOM 418 CD1 LEU A 77 31.397 3.753 11.990 1.00 18.36 C ATOM 419 CD2 LEU A 77 30.696 3.389 9.616 1.00 19.22 C ATOM 0 H LEU A 77 32.794 -0.712 11.107 1.00 14.68 H new ATOM 0 HA LEU A 77 33.307 1.730 12.449 1.00 16.06 H new ATOM 0 HB2 LEU A 77 32.678 1.842 10.186 1.00 16.76 H new ATOM 0 HB3 LEU A 77 31.346 0.722 10.393 1.00 16.76 H new ATOM 0 HG LEU A 77 29.937 2.354 11.323 1.00 18.62 H new ATOM 0 HD11 LEU A 77 30.690 4.580 12.054 1.00 18.36 H new ATOM 0 HD12 LEU A 77 31.489 3.278 12.967 1.00 18.36 H new ATOM 0 HD13 LEU A 77 32.370 4.131 11.677 1.00 18.36 H new ATOM 0 HD21 LEU A 77 30.003 4.224 9.713 1.00 19.22 H new ATOM 0 HD22 LEU A 77 31.653 3.753 9.242 1.00 19.22 H new ATOM 0 HD23 LEU A 77 30.288 2.658 8.917 1.00 19.22 H new ATOM 431 N TYR A 78 30.389 0.328 13.148 1.00 19.46 N ATOM 432 CA TYR A 78 29.339 0.269 14.158 1.00 21.85 C ATOM 433 C TYR A 78 29.911 -0.150 15.509 1.00 23.58 C ATOM 434 O TYR A 78 29.336 0.148 16.556 1.00 25.69 O ATOM 435 CB TYR A 78 28.240 -0.708 13.731 1.00 22.13 C ATOM 436 CG TYR A 78 27.470 -0.275 12.499 1.00 22.36 C ATOM 437 CD1 TYR A 78 27.484 1.064 12.065 1.00 23.00 C ATOM 438 CD2 TYR A 78 26.719 -1.205 11.760 1.00 22.16 C ATOM 439 CE1 TYR A 78 26.772 1.461 10.930 1.00 23.35 C ATOM 440 CE2 TYR A 78 26.005 -0.814 10.623 1.00 22.74 C ATOM 441 CZ TYR A 78 26.034 0.519 10.214 1.00 23.28 C ATOM 442 OH TYR A 78 25.331 0.907 9.096 1.00 23.94 O ATOM 0 H TYR A 78 30.226 -0.265 12.334 1.00 19.46 H new ATOM 0 HA TYR A 78 28.908 1.265 14.256 1.00 21.85 H new ATOM 0 HB2 TYR A 78 28.689 -1.683 13.541 1.00 22.13 H new ATOM 0 HB3 TYR A 78 27.541 -0.835 14.557 1.00 22.13 H new ATOM 0 HD1 TYR A 78 28.054 1.796 12.618 1.00 23.00 H new ATOM 0 HD2 TYR A 78 26.693 -2.238 12.075 1.00 22.16 H new ATOM 0 HE1 TYR A 78 26.793 2.492 10.609 1.00 23.35 H new ATOM 0 HE2 TYR A 78 25.434 -1.541 10.064 1.00 22.74 H new ATOM 0 HH TYR A 78 24.386 1.023 9.328 1.00 23.94 H new ATOM 452 N LYS A 79 31.048 -0.840 15.478 1.00 22.76 N ATOM 453 CA LYS A 79 31.696 -1.296 16.702 1.00 24.29 C ATOM 454 C LYS A 79 32.265 -0.117 17.485 1.00 25.60 C ATOM 455 O LYS A 79 32.346 -0.156 18.712 1.00 27.11 O ATOM 456 CB LYS A 79 32.811 -2.292 16.376 1.00 23.52 C ATOM 457 CG LYS A 79 32.341 -3.736 16.324 1.00 23.31 C ATOM 458 CD LYS A 79 33.503 -4.706 16.467 1.00 23.72 C ATOM 459 CE LYS A 79 33.017 -6.128 16.699 1.00 24.67 C ATOM 460 NZ LYS A 79 33.907 -7.131 16.052 1.00 24.92 N ATOM 0 H LYS A 79 31.538 -1.095 14.620 1.00 22.76 H new ATOM 0 HA LYS A 79 30.946 -1.792 17.318 1.00 24.29 H new ATOM 0 HB2 LYS A 79 33.253 -2.028 15.415 1.00 23.52 H new ATOM 0 HB3 LYS A 79 33.598 -2.202 17.125 1.00 23.52 H new ATOM 0 HG2 LYS A 79 31.618 -3.913 17.120 1.00 23.31 H new ATOM 0 HG3 LYS A 79 31.827 -3.919 15.380 1.00 23.31 H new ATOM 0 HD2 LYS A 79 34.119 -4.673 15.568 1.00 23.72 H new ATOM 0 HD3 LYS A 79 34.136 -4.397 17.298 1.00 23.72 H new ATOM 0 HE2 LYS A 79 32.967 -6.324 17.770 1.00 24.67 H new ATOM 0 HE3 LYS A 79 32.005 -6.234 16.308 1.00 24.67 H new ATOM 0 HZ1 LYS A 79 33.542 -8.088 16.233 1.00 24.92 H new ATOM 0 HZ2 LYS A 79 33.935 -6.960 15.027 1.00 24.92 H new ATOM 0 HZ3 LYS A 79 34.867 -7.047 16.443 1.00 24.92 H new ATOM 474 N LYS A 80 32.658 0.931 16.767 1.00 25.17 N ATOM 475 CA LYS A 80 33.218 2.120 17.399 1.00 26.31 C ATOM 476 C LYS A 80 32.211 2.753 18.354 1.00 28.61 C ATOM 477 O LYS A 80 32.588 3.423 19.315 1.00 30.08 O ATOM 478 CB LYS A 80 33.640 3.138 16.339 1.00 24.78 C ATOM 479 CG LYS A 80 34.502 4.263 16.888 1.00 23.03 C ATOM 480 CD LYS A 80 33.844 5.618 16.685 1.00 22.97 C ATOM 481 CE LYS A 80 34.614 6.722 17.391 1.00 22.03 C ATOM 482 NZ LYS A 80 34.796 7.916 16.519 1.00 22.28 N ATOM 0 H LYS A 80 32.599 0.981 15.750 1.00 25.17 H new ATOM 0 HA LYS A 80 34.095 1.817 17.971 1.00 26.31 H new ATOM 0 HB2 LYS A 80 34.188 2.623 15.550 1.00 24.78 H new ATOM 0 HB3 LYS A 80 32.748 3.565 15.881 1.00 24.78 H new ATOM 0 HG2 LYS A 80 34.682 4.100 17.951 1.00 23.03 H new ATOM 0 HG3 LYS A 80 35.474 4.252 16.395 1.00 23.03 H new ATOM 0 HD2 LYS A 80 33.784 5.839 15.619 1.00 22.97 H new ATOM 0 HD3 LYS A 80 32.822 5.587 17.062 1.00 22.97 H new ATOM 0 HE2 LYS A 80 34.084 7.012 18.298 1.00 22.03 H new ATOM 0 HE3 LYS A 80 35.589 6.345 17.699 1.00 22.03 H new ATOM 0 HZ1 LYS A 80 35.325 8.646 17.037 1.00 22.28 H new ATOM 0 HZ2 LYS A 80 35.324 7.645 15.665 1.00 22.28 H new ATOM 0 HZ3 LYS A 80 33.865 8.291 16.246 1.00 22.28 H new ATOM 496 N THR A 81 30.928 2.535 18.084 1.00 29.04 N ATOM 497 CA THR A 81 29.867 3.084 18.920 1.00 31.33 C ATOM 498 C THR A 81 29.604 2.186 20.123 1.00 33.62 C ATOM 499 O THR A 81 29.747 2.608 21.271 1.00 34.62 O ATOM 500 CB THR A 81 28.582 3.255 18.108 1.00 31.76 C ATOM 501 OG1 THR A 81 27.991 1.998 17.832 1.00 31.28 O ATOM 502 CG2 THR A 81 28.799 3.961 16.786 1.00 30.32 C ATOM 0 H THR A 81 30.598 1.982 17.293 1.00 29.04 H new ATOM 0 HA THR A 81 30.193 4.060 19.280 1.00 31.33 H new ATOM 0 HB THR A 81 27.929 3.870 18.727 1.00 31.76 H new ATOM 0 HG1 THR A 81 28.681 1.372 17.527 1.00 31.28 H new ATOM 0 HG21 THR A 81 27.848 4.050 16.260 1.00 30.32 H new ATOM 0 HG22 THR A 81 29.207 4.955 16.967 1.00 30.32 H new ATOM 0 HG23 THR A 81 29.498 3.387 16.177 1.00 30.32 H new ATOM 566 N ASP B 54 25.596 -5.773 18.867 1.00 34.51 N ATOM 567 CA ASP B 54 24.544 -5.508 17.893 1.00 31.68 C ATOM 568 C ASP B 54 25.126 -4.962 16.592 1.00 31.00 C ATOM 569 O ASP B 54 24.514 -5.080 15.531 1.00 30.08 O ATOM 570 CB ASP B 54 23.529 -4.516 18.466 1.00 30.84 C ATOM 571 CG ASP B 54 22.932 -4.991 19.776 1.00 29.77 C ATOM 572 OD1 ASP B 54 22.145 -5.960 19.752 1.00 28.74 O ATOM 573 OD2 ASP B 54 23.253 -4.394 20.825 1.00 29.97 O ATOM 0 HA ASP B 54 24.041 -6.450 17.676 1.00 31.68 H new ATOM 0 HB2 ASP B 54 24.014 -3.552 18.619 1.00 30.84 H new ATOM 0 HB3 ASP B 54 22.730 -4.359 17.742 1.00 30.84 H new ATOM 578 N ALA B 55 26.310 -4.364 16.682 1.00 31.50 N ATOM 579 CA ALA B 55 26.972 -3.801 15.512 1.00 30.98 C ATOM 580 C ALA B 55 27.073 -4.827 14.389 1.00 29.05 C ATOM 581 O ALA B 55 26.947 -4.487 13.212 1.00 27.61 O ATOM 582 CB ALA B 55 28.354 -3.287 15.886 1.00 33.12 C ATOM 0 H ALA B 55 26.830 -4.257 17.553 1.00 31.50 H new ATOM 0 HA ALA B 55 26.370 -2.967 15.151 1.00 30.98 H new ATOM 0 HB1 ALA B 55 28.838 -2.869 15.003 1.00 33.12 H new ATOM 0 HB2 ALA B 55 28.261 -2.514 16.649 1.00 33.12 H new ATOM 0 HB3 ALA B 55 28.955 -4.109 16.274 1.00 33.12 H new ATOM 588 N GLU B 56 27.300 -6.083 14.758 1.00 29.20 N ATOM 589 CA GLU B 56 27.417 -7.157 13.778 1.00 27.67 C ATOM 590 C GLU B 56 26.087 -7.395 13.072 1.00 25.31 C ATOM 591 O GLU B 56 25.991 -7.271 11.851 1.00 25.07 O ATOM 592 CB GLU B 56 27.887 -8.445 14.455 1.00 28.82 C ATOM 593 CG GLU B 56 29.319 -8.823 14.114 1.00 30.65 C ATOM 594 CD GLU B 56 29.425 -10.197 13.480 1.00 30.15 C ATOM 595 OE1 GLU B 56 28.566 -10.529 12.636 1.00 28.73 O ATOM 596 OE2 GLU B 56 30.366 -10.940 13.828 1.00 31.33 O ATOM 0 H GLU B 56 27.407 -6.382 15.727 1.00 29.20 H new ATOM 0 HA GLU B 56 28.155 -6.857 13.033 1.00 27.67 H new ATOM 0 HB2 GLU B 56 27.797 -8.332 15.535 1.00 28.82 H new ATOM 0 HB3 GLU B 56 27.225 -9.261 14.164 1.00 28.82 H new ATOM 0 HG2 GLU B 56 29.735 -8.080 13.433 1.00 30.65 H new ATOM 0 HG3 GLU B 56 29.923 -8.798 15.021 1.00 30.65 H new ATOM 603 N ARG B 57 25.061 -7.736 13.847 1.00 23.70 N ATOM 604 CA ARG B 57 23.736 -7.989 13.291 1.00 21.36 C ATOM 605 C ARG B 57 23.302 -6.840 12.387 1.00 19.10 C ATOM 606 O ARG B 57 22.566 -7.040 11.420 1.00 17.87 O ATOM 607 CB ARG B 57 22.714 -8.186 14.413 1.00 20.80 C ATOM 608 CG ARG B 57 22.427 -6.921 15.208 1.00 21.56 C ATOM 609 CD ARG B 57 21.044 -6.960 15.837 1.00 21.03 C ATOM 610 NE ARG B 57 20.274 -5.756 15.540 1.00 21.57 N ATOM 611 CZ ARG B 57 18.985 -5.614 15.832 1.00 21.71 C ATOM 612 NH1 ARG B 57 18.326 -6.599 16.428 1.00 21.51 N ATOM 613 NH2 ARG B 57 18.355 -4.488 15.529 1.00 22.40 N ATOM 0 H ARG B 57 25.122 -7.843 14.860 1.00 23.70 H new ATOM 0 HA ARG B 57 23.787 -8.901 12.695 1.00 21.36 H new ATOM 0 HB2 ARG B 57 21.782 -8.554 13.983 1.00 20.80 H new ATOM 0 HB3 ARG B 57 23.078 -8.957 15.092 1.00 20.80 H new ATOM 0 HG2 ARG B 57 23.179 -6.802 15.988 1.00 21.56 H new ATOM 0 HG3 ARG B 57 22.506 -6.053 14.553 1.00 21.56 H new ATOM 0 HD2 ARG B 57 20.505 -7.834 15.473 1.00 21.03 H new ATOM 0 HD3 ARG B 57 21.140 -7.072 16.917 1.00 21.03 H new ATOM 0 HE ARG B 57 20.752 -4.980 15.083 1.00 21.57 H new ATOM 0 HH11 ARG B 57 18.808 -7.467 16.663 1.00 21.51 H new ATOM 0 HH12 ARG B 57 17.337 -6.489 16.652 1.00 21.51 H new ATOM 0 HH21 ARG B 57 18.859 -3.729 15.071 1.00 22.40 H new ATOM 0 HH22 ARG B 57 17.366 -4.381 15.754 1.00 22.40 H new ATOM 627 N LEU B 58 23.766 -5.637 12.707 1.00 18.69 N ATOM 628 CA LEU B 58 23.429 -4.453 11.927 1.00 16.59 C ATOM 629 C LEU B 58 24.146 -4.468 10.583 1.00 16.27 C ATOM 630 O LEU B 58 23.512 -4.514 9.529 1.00 15.51 O ATOM 631 CB LEU B 58 23.794 -3.185 12.701 1.00 15.86 C ATOM 632 CG LEU B 58 22.650 -2.571 13.510 1.00 15.54 C ATOM 633 CD1 LEU B 58 23.196 -1.707 14.636 1.00 16.27 C ATOM 634 CD2 LEU B 58 21.737 -1.758 12.605 1.00 13.83 C ATOM 0 H LEU B 58 24.378 -5.456 13.503 1.00 18.69 H new ATOM 0 HA LEU B 58 22.354 -4.461 11.745 1.00 16.59 H new ATOM 0 HB2 LEU B 58 24.616 -3.415 13.379 1.00 15.86 H new ATOM 0 HB3 LEU B 58 24.161 -2.440 11.996 1.00 15.86 H new ATOM 0 HG LEU B 58 22.066 -3.379 13.952 1.00 15.54 H new ATOM 0 HD11 LEU B 58 22.368 -1.279 15.200 1.00 16.27 H new ATOM 0 HD12 LEU B 58 23.809 -2.318 15.299 1.00 16.27 H new ATOM 0 HD13 LEU B 58 23.803 -0.904 14.217 1.00 16.27 H new ATOM 0 HD21 LEU B 58 20.928 -1.328 13.196 1.00 13.83 H new ATOM 0 HD22 LEU B 58 22.309 -0.958 12.136 1.00 13.83 H new ATOM 0 HD23 LEU B 58 21.319 -2.405 11.834 1.00 13.83 H new ATOM 646 N ALA B 59 25.474 -4.434 10.631 1.00 16.93 N ATOM 647 CA ALA B 59 26.293 -4.449 9.422 1.00 16.88 C ATOM 648 C ALA B 59 25.791 -5.494 8.434 1.00 17.91 C ATOM 649 O ALA B 59 25.921 -5.332 7.221 1.00 18.50 O ATOM 650 CB ALA B 59 27.749 -4.710 9.777 1.00 17.30 C ATOM 0 H ALA B 59 26.009 -4.396 11.499 1.00 16.93 H new ATOM 0 HA ALA B 59 26.216 -3.471 8.946 1.00 16.88 H new ATOM 0 HB1 ALA B 59 28.349 -4.719 8.867 1.00 17.30 H new ATOM 0 HB2 ALA B 59 28.108 -3.924 10.441 1.00 17.30 H new ATOM 0 HB3 ALA B 59 27.834 -5.675 10.277 1.00 17.30 H new ATOM 656 N ASP B 60 25.205 -6.562 8.964 1.00 18.42 N ATOM 657 CA ASP B 60 24.668 -7.630 8.131 1.00 19.75 C ATOM 658 C ASP B 60 23.417 -7.153 7.405 1.00 18.30 C ATOM 659 O ASP B 60 23.227 -7.432 6.221 1.00 18.99 O ATOM 660 CB ASP B 60 24.344 -8.861 8.979 1.00 21.54 C ATOM 661 CG ASP B 60 23.755 -9.990 8.156 1.00 21.97 C ATOM 662 OD1 ASP B 60 24.279 -10.256 7.054 1.00 22.10 O ATOM 663 OD2 ASP B 60 22.770 -10.607 8.614 1.00 22.38 O ATOM 0 H ASP B 60 25.090 -6.711 9.967 1.00 18.42 H new ATOM 0 HA ASP B 60 25.423 -7.904 7.394 1.00 19.75 H new ATOM 0 HB2 ASP B 60 25.252 -9.209 9.471 1.00 21.54 H new ATOM 0 HB3 ASP B 60 23.642 -8.583 9.765 1.00 21.54 H new ATOM 668 N GLU B 61 22.569 -6.423 8.124 1.00 16.49 N ATOM 669 CA GLU B 61 21.339 -5.894 7.552 1.00 15.30 C ATOM 670 C GLU B 61 21.654 -4.843 6.494 1.00 13.70 C ATOM 671 O GLU B 61 20.915 -4.681 5.523 1.00 13.46 O ATOM 672 CB GLU B 61 20.460 -5.287 8.647 1.00 14.48 C ATOM 673 CG GLU B 61 19.524 -6.289 9.302 1.00 14.09 C ATOM 674 CD GLU B 61 18.065 -5.996 9.015 1.00 13.54 C ATOM 675 OE1 GLU B 61 17.709 -4.804 8.903 1.00 13.58 O ATOM 676 OE2 GLU B 61 17.277 -6.959 8.903 1.00 13.40 O ATOM 0 H GLU B 61 22.713 -6.185 9.105 1.00 16.49 H new ATOM 0 HA GLU B 61 20.798 -6.715 7.081 1.00 15.30 H new ATOM 0 HB2 GLU B 61 21.100 -4.846 9.412 1.00 14.48 H new ATOM 0 HB3 GLU B 61 19.869 -4.477 8.220 1.00 14.48 H new ATOM 0 HG2 GLU B 61 19.766 -7.291 8.949 1.00 14.09 H new ATOM 0 HG3 GLU B 61 19.687 -6.283 10.380 1.00 14.09 H new ATOM 683 N GLN B 62 22.761 -4.132 6.691 1.00 12.88 N ATOM 684 CA GLN B 62 23.182 -3.098 5.755 1.00 11.89 C ATOM 685 C GLN B 62 23.719 -3.723 4.472 1.00 10.86 C ATOM 686 O GLN B 62 23.346 -3.321 3.371 1.00 10.28 O ATOM 687 CB GLN B 62 24.251 -2.206 6.390 1.00 12.41 C ATOM 688 CG GLN B 62 24.030 -1.945 7.872 1.00 14.69 C ATOM 689 CD GLN B 62 22.583 -1.634 8.204 1.00 14.42 C ATOM 690 OE1 GLN B 62 21.828 -1.156 7.357 1.00 13.93 O ATOM 691 NE2 GLN B 62 22.188 -1.904 9.444 1.00 15.19 N ATOM 0 H GLN B 62 23.382 -4.254 7.491 1.00 12.88 H new ATOM 0 HA GLN B 62 22.314 -2.486 5.509 1.00 11.89 H new ATOM 0 HB2 GLN B 62 25.227 -2.671 6.254 1.00 12.41 H new ATOM 0 HB3 GLN B 62 24.276 -1.253 5.862 1.00 12.41 H new ATOM 0 HG2 GLN B 62 24.349 -2.818 8.442 1.00 14.69 H new ATOM 0 HG3 GLN B 62 24.658 -1.111 8.187 1.00 14.69 H new ATOM 0 HE21 GLN B 62 22.847 -2.300 10.114 1.00 15.19 H new ATOM 0 HE22 GLN B 62 21.226 -1.715 9.725 1.00 15.19 H new ATOM 700 N SER B 63 24.592 -4.714 4.624 1.00 11.08 N ATOM 701 CA SER B 63 25.176 -5.399 3.477 1.00 10.77 C ATOM 702 C SER B 63 24.084 -5.902 2.540 1.00 8.47 C ATOM 703 O SER B 63 24.020 -5.504 1.377 1.00 7.38 O ATOM 704 CB SER B 63 26.047 -6.568 3.940 1.00 12.94 C ATOM 705 OG SER B 63 25.697 -6.978 5.251 1.00 13.01 O ATOM 0 H SER B 63 24.910 -5.060 5.529 1.00 11.08 H new ATOM 0 HA SER B 63 25.800 -4.687 2.936 1.00 10.77 H new ATOM 0 HB2 SER B 63 25.933 -7.405 3.251 1.00 12.94 H new ATOM 0 HB3 SER B 63 27.097 -6.275 3.915 1.00 12.94 H new ATOM 0 HG SER B 63 26.175 -6.426 5.905 1.00 13.01 H new ATOM 711 N GLU B 64 23.221 -6.772 3.056 1.00 8.16 N ATOM 712 CA GLU B 64 22.130 -7.318 2.266 1.00 6.13 C ATOM 713 C GLU B 64 21.319 -6.194 1.635 1.00 4.39 C ATOM 714 O GLU B 64 20.779 -6.342 0.538 1.00 4.29 O ATOM 715 CB GLU B 64 21.232 -8.191 3.142 1.00 6.76 C ATOM 716 CG GLU B 64 20.693 -7.473 4.369 1.00 8.50 C ATOM 717 CD GLU B 64 20.151 -8.430 5.414 1.00 9.93 C ATOM 718 OE1 GLU B 64 20.835 -9.431 5.714 1.00 10.77 O ATOM 719 OE2 GLU B 64 19.043 -8.178 5.931 1.00 10.26 O ATOM 0 H GLU B 64 23.259 -7.112 4.017 1.00 8.16 H new ATOM 0 HA GLU B 64 22.549 -7.933 1.470 1.00 6.13 H new ATOM 0 HB2 GLU B 64 20.394 -8.550 2.544 1.00 6.76 H new ATOM 0 HB3 GLU B 64 21.794 -9.068 3.463 1.00 6.76 H new ATOM 0 HG2 GLU B 64 21.487 -6.870 4.811 1.00 8.50 H new ATOM 0 HG3 GLU B 64 19.903 -6.786 4.066 1.00 8.50 H new ATOM 726 N LEU B 65 21.247 -5.065 2.333 1.00 3.34 N ATOM 727 CA LEU B 65 20.513 -3.909 1.841 1.00 2.53 C ATOM 728 C LEU B 65 21.252 -3.273 0.669 1.00 2.75 C ATOM 729 O LEU B 65 20.669 -3.031 -0.388 1.00 3.48 O ATOM 730 CB LEU B 65 20.319 -2.883 2.959 1.00 2.86 C ATOM 731 CG LEU B 65 18.890 -2.773 3.495 1.00 4.11 C ATOM 732 CD1 LEU B 65 18.876 -2.905 5.010 1.00 5.20 C ATOM 733 CD2 LEU B 65 18.261 -1.456 3.067 1.00 4.00 C ATOM 0 H LEU B 65 21.689 -4.928 3.242 1.00 3.34 H new ATOM 0 HA LEU B 65 19.533 -4.242 1.500 1.00 2.53 H new ATOM 0 HB2 LEU B 65 20.982 -3.139 3.785 1.00 2.86 H new ATOM 0 HB3 LEU B 65 20.630 -1.905 2.592 1.00 2.86 H new ATOM 0 HG LEU B 65 18.301 -3.588 3.075 1.00 4.11 H new ATOM 0 HD11 LEU B 65 17.851 -2.824 5.373 1.00 5.20 H new ATOM 0 HD12 LEU B 65 19.286 -3.874 5.295 1.00 5.20 H new ATOM 0 HD13 LEU B 65 19.480 -2.112 5.450 1.00 5.20 H new ATOM 0 HD21 LEU B 65 17.245 -1.394 3.457 1.00 4.00 H new ATOM 0 HD22 LEU B 65 18.851 -0.627 3.458 1.00 4.00 H new ATOM 0 HD23 LEU B 65 18.236 -1.401 1.979 1.00 4.00 H new ATOM 745 N VAL B 66 22.542 -3.011 0.861 1.00 2.89 N ATOM 746 CA VAL B 66 23.361 -2.412 -0.183 1.00 3.32 C ATOM 747 C VAL B 66 23.465 -3.338 -1.389 1.00 4.55 C ATOM 748 O VAL B 66 23.562 -2.883 -2.529 1.00 5.23 O ATOM 749 CB VAL B 66 24.778 -2.093 0.329 1.00 5.61 C ATOM 750 CG1 VAL B 66 25.611 -1.448 -0.767 1.00 6.30 C ATOM 751 CG2 VAL B 66 24.714 -1.197 1.557 1.00 6.98 C ATOM 0 H VAL B 66 23.040 -3.205 1.730 1.00 2.89 H new ATOM 0 HA VAL B 66 22.874 -1.483 -0.479 1.00 3.32 H new ATOM 0 HB VAL B 66 25.259 -3.029 0.615 1.00 5.61 H new ATOM 0 HG11 VAL B 66 26.609 -1.230 -0.385 1.00 6.30 H new ATOM 0 HG12 VAL B 66 25.687 -2.129 -1.615 1.00 6.30 H new ATOM 0 HG13 VAL B 66 25.135 -0.521 -1.088 1.00 6.30 H new ATOM 0 HG21 VAL B 66 25.725 -0.983 1.904 1.00 6.98 H new ATOM 0 HG22 VAL B 66 24.213 -0.264 1.301 1.00 6.98 H new ATOM 0 HG23 VAL B 66 24.158 -1.702 2.347 1.00 6.98 H new ATOM 761 N LYS B 67 23.443 -4.642 -1.129 1.00 5.96 N ATOM 762 CA LYS B 67 23.533 -5.637 -2.191 1.00 8.19 C ATOM 763 C LYS B 67 22.326 -5.554 -3.120 1.00 9.10 C ATOM 764 O LYS B 67 22.473 -5.431 -4.336 1.00 10.21 O ATOM 765 CB LYS B 67 23.636 -7.040 -1.593 1.00 10.71 C ATOM 766 CG LYS B 67 23.732 -8.142 -2.635 1.00 11.69 C ATOM 767 CD LYS B 67 22.951 -9.375 -2.212 1.00 14.34 C ATOM 768 CE LYS B 67 23.022 -10.468 -3.266 1.00 16.26 C ATOM 769 NZ LYS B 67 21.932 -11.469 -3.101 1.00 18.16 N ATOM 0 H LYS B 67 23.364 -5.034 -0.191 1.00 5.96 H new ATOM 0 HA LYS B 67 24.430 -5.430 -2.774 1.00 8.19 H new ATOM 0 HB2 LYS B 67 24.512 -7.086 -0.946 1.00 10.71 H new ATOM 0 HB3 LYS B 67 22.765 -7.222 -0.964 1.00 10.71 H new ATOM 0 HG2 LYS B 67 23.350 -7.777 -3.589 1.00 11.69 H new ATOM 0 HG3 LYS B 67 24.778 -8.408 -2.791 1.00 11.69 H new ATOM 0 HD2 LYS B 67 23.346 -9.752 -1.269 1.00 14.34 H new ATOM 0 HD3 LYS B 67 21.910 -9.105 -2.036 1.00 14.34 H new ATOM 0 HE2 LYS B 67 22.957 -10.021 -4.258 1.00 16.26 H new ATOM 0 HE3 LYS B 67 23.988 -10.969 -3.205 1.00 16.26 H new ATOM 0 HZ1 LYS B 67 22.015 -12.198 -3.839 1.00 18.16 H new ATOM 0 HZ2 LYS B 67 22.009 -11.914 -2.164 1.00 18.16 H new ATOM 0 HZ3 LYS B 67 21.010 -10.995 -3.185 1.00 18.16 H new ATOM 783 N LYS B 68 21.133 -5.622 -2.539 1.00 9.31 N ATOM 784 CA LYS B 68 19.901 -5.553 -3.316 1.00 10.89 C ATOM 785 C LYS B 68 19.847 -4.265 -4.129 1.00 10.57 C ATOM 786 O LYS B 68 19.298 -4.237 -5.231 1.00 11.38 O ATOM 787 CB LYS B 68 18.685 -5.638 -2.391 1.00 10.81 C ATOM 788 CG LYS B 68 18.222 -7.061 -2.126 1.00 12.68 C ATOM 789 CD LYS B 68 16.708 -7.176 -2.200 1.00 15.03 C ATOM 790 CE LYS B 68 16.216 -8.468 -1.568 1.00 16.79 C ATOM 791 NZ LYS B 68 14.754 -8.428 -1.288 1.00 18.65 N ATOM 0 H LYS B 68 20.993 -5.725 -1.534 1.00 9.31 H new ATOM 0 HA LYS B 68 19.884 -6.398 -4.004 1.00 10.89 H new ATOM 0 HB2 LYS B 68 18.927 -5.161 -1.441 1.00 10.81 H new ATOM 0 HB3 LYS B 68 17.863 -5.073 -2.832 1.00 10.81 H new ATOM 0 HG2 LYS B 68 18.675 -7.734 -2.854 1.00 12.68 H new ATOM 0 HG3 LYS B 68 18.565 -7.379 -1.141 1.00 12.68 H new ATOM 0 HD2 LYS B 68 16.252 -6.325 -1.693 1.00 15.03 H new ATOM 0 HD3 LYS B 68 16.389 -7.135 -3.242 1.00 15.03 H new ATOM 0 HE2 LYS B 68 16.436 -9.304 -2.232 1.00 16.79 H new ATOM 0 HE3 LYS B 68 16.759 -8.648 -0.640 1.00 16.79 H new ATOM 0 HZ1 LYS B 68 14.458 -9.327 -0.858 1.00 18.65 H new ATOM 0 HZ2 LYS B 68 14.547 -7.646 -0.634 1.00 18.65 H new ATOM 0 HZ3 LYS B 68 14.234 -8.282 -2.177 1.00 18.65 H new ATOM 805 N MET B 69 20.421 -3.200 -3.579 1.00 10.00 N ATOM 806 CA MET B 69 20.440 -1.908 -4.252 1.00 10.65 C ATOM 807 C MET B 69 21.363 -1.943 -5.465 1.00 11.95 C ATOM 808 O MET B 69 20.980 -1.536 -6.563 1.00 12.70 O ATOM 809 CB MET B 69 20.893 -0.813 -3.285 1.00 8.77 C ATOM 810 CG MET B 69 20.930 0.573 -3.907 1.00 9.57 C ATOM 811 SD MET B 69 21.877 1.749 -2.923 1.00 9.51 S ATOM 812 CE MET B 69 23.429 0.873 -2.748 1.00 7.80 C ATOM 0 H MET B 69 20.879 -3.207 -2.668 1.00 10.00 H new ATOM 0 HA MET B 69 19.428 -1.687 -4.592 1.00 10.65 H new ATOM 0 HB2 MET B 69 20.222 -0.799 -2.426 1.00 8.77 H new ATOM 0 HB3 MET B 69 21.886 -1.060 -2.910 1.00 8.77 H new ATOM 0 HG2 MET B 69 21.363 0.508 -4.905 1.00 9.57 H new ATOM 0 HG3 MET B 69 19.911 0.941 -4.025 1.00 9.57 H new ATOM 0 HE1 MET B 69 24.218 1.579 -2.488 1.00 7.80 H new ATOM 0 HE2 MET B 69 23.338 0.125 -1.961 1.00 7.80 H new ATOM 0 HE3 MET B 69 23.677 0.381 -3.689 1.00 7.80 H new ATOM 822 N VAL B 70 22.580 -2.434 -5.260 1.00 12.30 N ATOM 823 CA VAL B 70 23.558 -2.524 -6.336 1.00 13.61 C ATOM 824 C VAL B 70 23.225 -3.671 -7.285 1.00 14.98 C ATOM 825 O VAL B 70 23.640 -3.670 -8.444 1.00 15.14 O ATOM 826 CB VAL B 70 24.984 -2.714 -5.781 1.00 12.13 C ATOM 827 CG1 VAL B 70 25.990 -2.850 -6.914 1.00 12.30 C ATOM 828 CG2 VAL B 70 25.354 -1.555 -4.866 1.00 10.26 C ATOM 0 H VAL B 70 22.912 -2.776 -4.358 1.00 12.30 H new ATOM 0 HA VAL B 70 23.517 -1.584 -6.887 1.00 13.61 H new ATOM 0 HB VAL B 70 25.008 -3.635 -5.198 1.00 12.13 H new ATOM 0 HG11 VAL B 70 26.989 -2.983 -6.499 1.00 12.30 H new ATOM 0 HG12 VAL B 70 25.733 -3.714 -7.527 1.00 12.30 H new ATOM 0 HG13 VAL B 70 25.969 -1.950 -7.529 1.00 12.30 H new ATOM 0 HG21 VAL B 70 26.363 -1.703 -4.482 1.00 10.26 H new ATOM 0 HG22 VAL B 70 25.312 -0.621 -5.427 1.00 10.26 H new ATOM 0 HG23 VAL B 70 24.652 -1.510 -4.034 1.00 10.26 H new ATOM 838 N PHE B 71 22.468 -4.647 -6.791 1.00 16.31 N ATOM 839 CA PHE B 71 22.077 -5.793 -7.603 1.00 18.13 C ATOM 840 C PHE B 71 21.206 -5.349 -8.773 1.00 19.44 C ATOM 841 O PHE B 71 21.407 -5.780 -9.908 1.00 19.69 O ATOM 842 CB PHE B 71 21.325 -6.817 -6.751 1.00 19.99 C ATOM 843 CG PHE B 71 20.973 -8.074 -7.495 1.00 21.44 C ATOM 844 CD1 PHE B 71 20.019 -8.053 -8.523 1.00 23.08 C ATOM 845 CD2 PHE B 71 21.591 -9.291 -7.171 1.00 21.35 C ATOM 846 CE1 PHE B 71 19.689 -9.222 -9.215 1.00 24.65 C ATOM 847 CE2 PHE B 71 21.266 -10.463 -7.860 1.00 23.03 C ATOM 848 CZ PHE B 71 20.313 -10.428 -8.883 1.00 24.68 C ATOM 0 H PHE B 71 22.114 -4.666 -5.834 1.00 16.31 H new ATOM 0 HA PHE B 71 22.981 -6.257 -7.997 1.00 18.13 H new ATOM 0 HB2 PHE B 71 21.935 -7.075 -5.885 1.00 19.99 H new ATOM 0 HB3 PHE B 71 20.411 -6.361 -6.372 1.00 19.99 H new ATOM 0 HD1 PHE B 71 19.534 -7.124 -8.783 1.00 23.08 H new ATOM 0 HD2 PHE B 71 22.326 -9.323 -6.380 1.00 21.35 H new ATOM 0 HE1 PHE B 71 18.953 -9.193 -10.005 1.00 24.65 H new ATOM 0 HE2 PHE B 71 21.750 -11.394 -7.603 1.00 23.03 H new ATOM 0 HZ PHE B 71 20.059 -11.332 -9.416 1.00 24.68 H new ATOM 858 N ASP B 72 20.240 -4.482 -8.486 1.00 20.51 N ATOM 859 CA ASP B 72 19.338 -3.975 -9.513 1.00 22.21 C ATOM 860 C ASP B 72 20.087 -3.084 -10.499 1.00 21.07 C ATOM 861 O ASP B 72 19.915 -3.203 -11.712 1.00 21.16 O ATOM 862 CB ASP B 72 18.188 -3.195 -8.873 1.00 23.98 C ATOM 863 CG ASP B 72 16.835 -3.808 -9.175 1.00 26.37 C ATOM 864 OD1 ASP B 72 16.708 -4.479 -10.220 1.00 26.94 O ATOM 865 OD2 ASP B 72 15.902 -3.616 -8.367 1.00 27.81 O ATOM 0 H ASP B 72 20.062 -4.116 -7.551 1.00 20.51 H new ATOM 0 HA ASP B 72 18.929 -4.827 -10.057 1.00 22.21 H new ATOM 0 HB2 ASP B 72 18.334 -3.158 -7.793 1.00 23.98 H new ATOM 0 HB3 ASP B 72 18.206 -2.166 -9.233 1.00 23.98 H new ATOM 870 N THR B 73 20.922 -2.194 -9.970 1.00 20.21 N ATOM 871 CA THR B 73 21.700 -1.285 -10.805 1.00 19.33 C ATOM 872 C THR B 73 22.423 -2.048 -11.911 1.00 19.52 C ATOM 873 O THR B 73 22.281 -1.731 -13.092 1.00 20.68 O ATOM 874 CB THR B 73 22.711 -0.518 -9.951 1.00 16.62 C ATOM 875 OG1 THR B 73 22.049 0.334 -9.033 1.00 16.28 O ATOM 876 CG2 THR B 73 23.660 0.336 -10.766 1.00 15.84 C ATOM 0 H THR B 73 21.077 -2.083 -8.968 1.00 20.21 H new ATOM 0 HA THR B 73 21.014 -0.576 -11.268 1.00 19.33 H new ATOM 0 HB THR B 73 23.290 -1.284 -9.434 1.00 16.62 H new ATOM 0 HG1 THR B 73 21.686 -0.199 -8.295 1.00 16.28 H new ATOM 0 HG21 THR B 73 24.350 0.852 -10.098 1.00 15.84 H new ATOM 0 HG22 THR B 73 24.224 -0.298 -11.450 1.00 15.84 H new ATOM 0 HG23 THR B 73 23.090 1.069 -11.337 1.00 15.84 H new ATOM 884 N LEU B 74 23.200 -3.053 -11.520 1.00 18.55 N ATOM 885 CA LEU B 74 23.945 -3.860 -12.480 1.00 18.74 C ATOM 886 C LEU B 74 23.016 -4.429 -13.547 1.00 20.76 C ATOM 887 O LEU B 74 23.362 -4.470 -14.728 1.00 21.12 O ATOM 888 CB LEU B 74 24.676 -4.998 -11.765 1.00 16.63 C ATOM 889 CG LEU B 74 25.853 -4.564 -10.890 1.00 14.49 C ATOM 890 CD1 LEU B 74 26.576 -5.778 -10.327 1.00 14.62 C ATOM 891 CD2 LEU B 74 26.812 -3.690 -11.684 1.00 12.32 C ATOM 0 H LEU B 74 23.330 -3.328 -10.546 1.00 18.55 H new ATOM 0 HA LEU B 74 24.678 -3.216 -12.966 1.00 18.74 H new ATOM 0 HB2 LEU B 74 23.960 -5.535 -11.143 1.00 16.63 H new ATOM 0 HB3 LEU B 74 25.040 -5.702 -12.513 1.00 16.63 H new ATOM 0 HG LEU B 74 25.466 -3.979 -10.056 1.00 14.49 H new ATOM 0 HD11 LEU B 74 27.410 -5.450 -9.707 1.00 14.62 H new ATOM 0 HD12 LEU B 74 25.885 -6.366 -9.723 1.00 14.62 H new ATOM 0 HD13 LEU B 74 26.952 -6.390 -11.147 1.00 14.62 H new ATOM 0 HD21 LEU B 74 27.644 -3.390 -11.046 1.00 12.32 H new ATOM 0 HD22 LEU B 74 27.193 -4.250 -12.538 1.00 12.32 H new ATOM 0 HD23 LEU B 74 26.287 -2.802 -12.038 1.00 12.32 H new ATOM 903 N LYS B 75 21.833 -4.865 -13.124 1.00 22.16 N ATOM 904 CA LYS B 75 20.854 -5.429 -14.047 1.00 24.34 C ATOM 905 C LYS B 75 20.625 -4.492 -15.226 1.00 26.21 C ATOM 906 O LYS B 75 20.633 -4.916 -16.382 1.00 27.77 O ATOM 907 CB LYS B 75 19.532 -5.693 -13.323 1.00 24.37 C ATOM 908 CG LYS B 75 18.724 -6.831 -13.926 1.00 25.24 C ATOM 909 CD LYS B 75 18.387 -7.887 -12.885 1.00 24.50 C ATOM 910 CE LYS B 75 17.686 -7.279 -11.681 1.00 24.61 C ATOM 911 NZ LYS B 75 16.312 -7.825 -11.505 1.00 24.76 N ATOM 0 H LYS B 75 21.530 -4.839 -12.150 1.00 22.16 H new ATOM 0 HA LYS B 75 21.245 -6.374 -14.425 1.00 24.34 H new ATOM 0 HB2 LYS B 75 19.739 -5.920 -12.277 1.00 24.37 H new ATOM 0 HB3 LYS B 75 18.931 -4.784 -13.339 1.00 24.37 H new ATOM 0 HG2 LYS B 75 17.804 -6.437 -14.357 1.00 25.24 H new ATOM 0 HG3 LYS B 75 19.287 -7.287 -14.740 1.00 25.24 H new ATOM 0 HD2 LYS B 75 17.749 -8.649 -13.332 1.00 24.50 H new ATOM 0 HD3 LYS B 75 19.301 -8.385 -12.562 1.00 24.50 H new ATOM 0 HE2 LYS B 75 18.272 -7.474 -10.783 1.00 24.61 H new ATOM 0 HE3 LYS B 75 17.634 -6.197 -11.799 1.00 24.61 H new ATOM 0 HZ1 LYS B 75 15.868 -7.385 -10.674 1.00 24.76 H new ATOM 0 HZ2 LYS B 75 15.745 -7.617 -12.351 1.00 24.76 H new ATOM 0 HZ3 LYS B 75 16.363 -8.855 -11.367 1.00 24.76 H new ATOM 925 N ASP B 76 20.427 -3.215 -14.924 1.00 26.23 N ATOM 926 CA ASP B 76 20.202 -2.211 -15.954 1.00 28.15 C ATOM 927 C ASP B 76 21.493 -1.924 -16.713 1.00 28.64 C ATOM 928 O ASP B 76 21.470 -1.599 -17.900 1.00 30.60 O ATOM 929 CB ASP B 76 19.664 -0.922 -15.332 1.00 27.90 C ATOM 930 CG ASP B 76 18.573 -0.286 -16.172 1.00 29.18 C ATOM 931 OD1 ASP B 76 17.659 -1.016 -16.608 1.00 31.16 O ATOM 932 OD2 ASP B 76 18.634 0.941 -16.394 1.00 28.33 O ATOM 0 H ASP B 76 20.418 -2.850 -13.971 1.00 26.23 H new ATOM 0 HA ASP B 76 19.463 -2.600 -16.655 1.00 28.15 H new ATOM 0 HB2 ASP B 76 19.274 -1.137 -14.337 1.00 27.90 H new ATOM 0 HB3 ASP B 76 20.482 -0.213 -15.207 1.00 27.90 H new ATOM 937 N LEU B 77 22.618 -2.051 -16.016 1.00 26.91 N ATOM 938 CA LEU B 77 23.923 -1.810 -16.616 1.00 27.22 C ATOM 939 C LEU B 77 24.189 -2.799 -17.746 1.00 28.95 C ATOM 940 O LEU B 77 24.586 -2.411 -18.844 1.00 30.46 O ATOM 941 CB LEU B 77 25.017 -1.925 -15.553 1.00 24.97 C ATOM 942 CG LEU B 77 25.217 -0.677 -14.691 1.00 23.50 C ATOM 943 CD1 LEU B 77 26.185 -0.963 -13.553 1.00 21.11 C ATOM 944 CD2 LEU B 77 25.717 0.482 -15.540 1.00 24.58 C ATOM 0 H LEU B 77 22.650 -2.320 -15.033 1.00 26.91 H new ATOM 0 HA LEU B 77 23.930 -0.802 -17.031 1.00 27.22 H new ATOM 0 HB2 LEU B 77 24.781 -2.765 -14.900 1.00 24.97 H new ATOM 0 HB3 LEU B 77 25.959 -2.161 -16.047 1.00 24.97 H new ATOM 0 HG LEU B 77 24.255 -0.398 -14.261 1.00 23.50 H new ATOM 0 HD11 LEU B 77 26.315 -0.064 -12.951 1.00 21.11 H new ATOM 0 HD12 LEU B 77 25.787 -1.763 -12.929 1.00 21.11 H new ATOM 0 HD13 LEU B 77 27.148 -1.267 -13.962 1.00 21.11 H new ATOM 0 HD21 LEU B 77 25.854 1.361 -14.911 1.00 24.58 H new ATOM 0 HD22 LEU B 77 26.668 0.213 -15.999 1.00 24.58 H new ATOM 0 HD23 LEU B 77 24.988 0.703 -16.319 1.00 24.58 H new ATOM 956 N TYR B 78 23.967 -4.079 -17.466 1.00 28.92 N ATOM 957 CA TYR B 78 24.178 -5.128 -18.451 1.00 30.70 C ATOM 958 C TYR B 78 23.001 -5.211 -19.417 1.00 32.51 C ATOM 959 O TYR B 78 23.157 -5.613 -20.570 1.00 32.77 O ATOM 960 CB TYR B 78 24.376 -6.469 -17.745 1.00 31.69 C ATOM 961 CG TYR B 78 25.684 -6.563 -16.994 1.00 31.04 C ATOM 962 CD1 TYR B 78 26.912 -6.501 -17.676 1.00 31.34 C ATOM 963 CD2 TYR B 78 25.705 -6.708 -15.596 1.00 30.36 C ATOM 964 CE1 TYR B 78 28.124 -6.581 -16.985 1.00 30.89 C ATOM 965 CE2 TYR B 78 26.913 -6.789 -14.899 1.00 29.90 C ATOM 966 CZ TYR B 78 28.119 -6.725 -15.598 1.00 30.11 C ATOM 967 OH TYR B 78 29.311 -6.799 -14.915 1.00 29.82 O ATOM 0 H TYR B 78 23.639 -4.414 -16.560 1.00 28.92 H new ATOM 0 HA TYR B 78 25.073 -4.889 -19.026 1.00 30.70 H new ATOM 0 HB2 TYR B 78 23.553 -6.630 -17.049 1.00 31.69 H new ATOM 0 HB3 TYR B 78 24.330 -7.270 -18.483 1.00 31.69 H new ATOM 0 HD1 TYR B 78 26.919 -6.390 -18.750 1.00 31.34 H new ATOM 0 HD2 TYR B 78 24.773 -6.758 -15.052 1.00 30.36 H new ATOM 0 HE1 TYR B 78 29.060 -6.532 -17.522 1.00 30.89 H new ATOM 0 HE2 TYR B 78 26.913 -6.901 -13.825 1.00 29.90 H new ATOM 0 HH TYR B 78 29.150 -6.656 -13.959 1.00 29.82 H new ATOM 977 N LYS B 79 21.824 -4.826 -18.937 1.00 33.84 N ATOM 978 CA LYS B 79 20.617 -4.853 -19.751 1.00 35.78 C ATOM 979 C LYS B 79 20.650 -3.764 -20.823 1.00 36.60 C ATOM 980 O LYS B 79 19.933 -3.843 -21.821 1.00 36.91 O ATOM 981 CB LYS B 79 19.381 -4.678 -18.866 1.00 35.31 C ATOM 982 CG LYS B 79 18.071 -4.697 -19.635 1.00 37.10 C ATOM 983 CD LYS B 79 17.032 -5.563 -18.942 1.00 38.31 C ATOM 984 CE LYS B 79 15.890 -4.727 -18.387 1.00 38.08 C ATOM 985 NZ LYS B 79 16.175 -4.241 -17.009 1.00 37.96 N ATOM 0 H LYS B 79 21.681 -4.490 -17.984 1.00 33.84 H new ATOM 0 HA LYS B 79 20.568 -5.821 -20.250 1.00 35.78 H new ATOM 0 HB2 LYS B 79 19.365 -5.471 -18.119 1.00 35.31 H new ATOM 0 HB3 LYS B 79 19.462 -3.734 -18.327 1.00 35.31 H new ATOM 0 HG2 LYS B 79 17.691 -3.680 -19.734 1.00 37.10 H new ATOM 0 HG3 LYS B 79 18.245 -5.072 -20.643 1.00 37.10 H new ATOM 0 HD2 LYS B 79 16.639 -6.296 -19.647 1.00 38.31 H new ATOM 0 HD3 LYS B 79 17.503 -6.121 -18.132 1.00 38.31 H new ATOM 0 HE2 LYS B 79 15.712 -3.875 -19.043 1.00 38.08 H new ATOM 0 HE3 LYS B 79 14.976 -5.320 -18.381 1.00 38.08 H new ATOM 0 HZ1 LYS B 79 15.372 -3.675 -16.667 1.00 37.96 H new ATOM 0 HZ2 LYS B 79 16.319 -5.054 -16.377 1.00 37.96 H new ATOM 0 HZ3 LYS B 79 17.033 -3.653 -17.019 1.00 37.96 H new ATOM 1103 N ALA C 55 26.173 13.316 18.707 1.00 35.05 N ATOM 1104 CA ALA C 55 25.951 12.010 18.101 1.00 34.10 C ATOM 1105 C ALA C 55 25.214 12.146 16.773 1.00 31.49 C ATOM 1106 O ALA C 55 25.522 11.447 15.807 1.00 30.79 O ATOM 1107 CB ALA C 55 25.173 11.110 19.050 1.00 34.44 C ATOM 0 HA ALA C 55 26.922 11.555 17.906 1.00 34.10 H new ATOM 0 HB1 ALA C 55 25.015 10.138 18.582 1.00 34.44 H new ATOM 0 HB2 ALA C 55 25.737 10.981 19.974 1.00 34.44 H new ATOM 0 HB3 ALA C 55 24.208 11.565 19.275 1.00 34.44 H new ATOM 1113 N GLU C 56 24.242 13.052 16.730 1.00 30.09 N ATOM 1114 CA GLU C 56 23.466 13.283 15.518 1.00 27.62 C ATOM 1115 C GLU C 56 24.370 13.747 14.384 1.00 27.69 C ATOM 1116 O GLU C 56 24.428 13.122 13.325 1.00 27.78 O ATOM 1117 CB GLU C 56 22.371 14.319 15.775 1.00 26.44 C ATOM 1118 CG GLU C 56 21.062 14.009 15.067 1.00 25.14 C ATOM 1119 CD GLU C 56 19.849 14.297 15.930 1.00 23.93 C ATOM 1120 OE1 GLU C 56 19.963 14.183 17.169 1.00 23.48 O ATOM 1121 OE2 GLU C 56 18.787 14.635 15.368 1.00 23.56 O ATOM 0 H GLU C 56 23.974 13.638 17.521 1.00 30.09 H new ATOM 0 HA GLU C 56 22.998 12.343 15.227 1.00 27.62 H new ATOM 0 HB2 GLU C 56 22.188 14.383 16.848 1.00 26.44 H new ATOM 0 HB3 GLU C 56 22.726 15.298 15.453 1.00 26.44 H new ATOM 0 HG2 GLU C 56 21.000 14.598 14.152 1.00 25.14 H new ATOM 0 HG3 GLU C 56 21.052 12.960 14.772 1.00 25.14 H new ATOM 1128 N ARG C 57 25.081 14.843 14.618 1.00 27.86 N ATOM 1129 CA ARG C 57 25.992 15.390 13.621 1.00 28.28 C ATOM 1130 C ARG C 57 27.144 14.425 13.372 1.00 27.04 C ATOM 1131 O ARG C 57 27.485 14.125 12.228 1.00 26.65 O ATOM 1132 CB ARG C 57 26.534 16.745 14.080 1.00 30.26 C ATOM 1133 CG ARG C 57 26.051 17.912 13.234 1.00 30.57 C ATOM 1134 CD ARG C 57 27.035 19.070 13.269 1.00 32.75 C ATOM 1135 NE ARG C 57 26.807 19.948 14.413 1.00 34.83 N ATOM 1136 CZ ARG C 57 27.550 21.018 14.680 1.00 36.14 C ATOM 1137 NH1 ARG C 57 28.566 21.337 13.890 1.00 35.54 N ATOM 1138 NH2 ARG C 57 27.278 21.769 15.739 1.00 38.13 N ATOM 0 H ARG C 57 25.044 15.371 15.490 1.00 27.86 H new ATOM 0 HA ARG C 57 25.442 15.530 12.690 1.00 28.28 H new ATOM 0 HB2 ARG C 57 26.240 16.912 15.116 1.00 30.26 H new ATOM 0 HB3 ARG C 57 27.623 16.717 14.058 1.00 30.26 H new ATOM 0 HG2 ARG C 57 25.911 17.583 12.204 1.00 30.57 H new ATOM 0 HG3 ARG C 57 25.079 18.248 13.596 1.00 30.57 H new ATOM 0 HD2 ARG C 57 28.052 18.680 13.308 1.00 32.75 H new ATOM 0 HD3 ARG C 57 26.950 19.646 12.348 1.00 32.75 H new ATOM 0 HE ARG C 57 26.035 19.728 15.042 1.00 34.83 H new ATOM 0 HH11 ARG C 57 28.779 20.761 13.075 1.00 35.54 H new ATOM 0 HH12 ARG C 57 29.135 22.158 14.097 1.00 35.54 H new ATOM 0 HH21 ARG C 57 26.498 21.526 16.350 1.00 38.13 H new ATOM 0 HH22 ARG C 57 27.849 22.589 15.943 1.00 38.13 H new ATOM 1152 N LEU C 58 27.732 13.939 14.458 1.00 26.63 N ATOM 1153 CA LEU C 58 28.842 12.999 14.374 1.00 25.53 C ATOM 1154 C LEU C 58 28.463 11.793 13.523 1.00 23.30 C ATOM 1155 O LEU C 58 29.257 11.317 12.712 1.00 23.65 O ATOM 1156 CB LEU C 58 29.253 12.544 15.777 1.00 25.96 C ATOM 1157 CG LEU C 58 30.341 11.470 15.825 1.00 26.99 C ATOM 1158 CD1 LEU C 58 29.754 10.101 15.524 1.00 25.04 C ATOM 1159 CD2 LEU C 58 31.458 11.799 14.848 1.00 27.88 C ATOM 0 H LEU C 58 27.457 14.181 15.410 1.00 26.63 H new ATOM 0 HA LEU C 58 29.685 13.503 13.902 1.00 25.53 H new ATOM 0 HB2 LEU C 58 29.599 13.413 16.336 1.00 25.96 H new ATOM 0 HB3 LEU C 58 28.370 12.166 16.291 1.00 25.96 H new ATOM 0 HG LEU C 58 30.759 11.450 16.831 1.00 26.99 H new ATOM 0 HD11 LEU C 58 30.543 9.350 15.563 1.00 25.04 H new ATOM 0 HD12 LEU C 58 28.989 9.862 16.263 1.00 25.04 H new ATOM 0 HD13 LEU C 58 29.308 10.107 14.530 1.00 25.04 H new ATOM 0 HD21 LEU C 58 32.223 11.024 14.896 1.00 27.88 H new ATOM 0 HD22 LEU C 58 31.054 11.848 13.837 1.00 27.88 H new ATOM 0 HD23 LEU C 58 31.899 12.761 15.110 1.00 27.88 H new ATOM 1171 N ALA C 59 27.241 11.304 13.714 1.00 21.05 N ATOM 1172 CA ALA C 59 26.752 10.154 12.964 1.00 18.88 C ATOM 1173 C ALA C 59 26.777 10.427 11.465 1.00 18.83 C ATOM 1174 O ALA C 59 27.137 9.557 10.671 1.00 19.68 O ATOM 1175 CB ALA C 59 25.344 9.793 13.413 1.00 17.77 C ATOM 0 H ALA C 59 26.572 11.687 14.382 1.00 21.05 H new ATOM 0 HA ALA C 59 27.413 9.311 13.165 1.00 18.88 H new ATOM 0 HB1 ALA C 59 24.990 8.932 12.845 1.00 17.77 H new ATOM 0 HB2 ALA C 59 25.352 9.548 14.475 1.00 17.77 H new ATOM 0 HB3 ALA C 59 24.679 10.639 13.241 1.00 17.77 H new ATOM 1181 N ASP C 60 26.392 11.641 11.082 1.00 17.90 N ATOM 1182 CA ASP C 60 26.371 12.028 9.677 1.00 17.75 C ATOM 1183 C ASP C 60 27.757 11.888 9.055 1.00 18.13 C ATOM 1184 O ASP C 60 27.889 11.539 7.882 1.00 17.67 O ATOM 1185 CB ASP C 60 25.874 13.468 9.528 1.00 17.17 C ATOM 1186 CG ASP C 60 25.671 13.862 8.079 1.00 17.11 C ATOM 1187 OD1 ASP C 60 25.790 12.980 7.201 1.00 17.90 O ATOM 1188 OD2 ASP C 60 25.391 15.051 7.820 1.00 16.59 O ATOM 0 H ASP C 60 26.091 12.373 11.726 1.00 17.90 H new ATOM 0 HA ASP C 60 25.687 11.361 9.152 1.00 17.75 H new ATOM 0 HB2 ASP C 60 24.934 13.583 10.068 1.00 17.17 H new ATOM 0 HB3 ASP C 60 26.592 14.147 9.989 1.00 17.17 H new ATOM 1193 N GLU C 61 28.788 12.159 9.849 1.00 19.05 N ATOM 1194 CA GLU C 61 30.163 12.059 9.373 1.00 19.49 C ATOM 1195 C GLU C 61 30.486 10.633 8.948 1.00 19.87 C ATOM 1196 O GLU C 61 30.892 10.388 7.811 1.00 20.14 O ATOM 1197 CB GLU C 61 31.137 12.514 10.461 1.00 19.50 C ATOM 1198 CG GLU C 61 32.576 12.616 9.982 1.00 19.91 C ATOM 1199 CD GLU C 61 32.858 13.916 9.254 1.00 18.94 C ATOM 1200 OE1 GLU C 61 31.907 14.498 8.690 1.00 17.50 O ATOM 1201 OE2 GLU C 61 34.028 14.351 9.248 1.00 19.74 O ATOM 0 H GLU C 61 28.698 12.449 10.823 1.00 19.05 H new ATOM 0 HA GLU C 61 30.270 12.711 8.506 1.00 19.49 H new ATOM 0 HB2 GLU C 61 30.819 13.485 10.840 1.00 19.50 H new ATOM 0 HB3 GLU C 61 31.089 11.815 11.296 1.00 19.50 H new ATOM 0 HG2 GLU C 61 33.247 12.530 10.837 1.00 19.91 H new ATOM 0 HG3 GLU C 61 32.795 11.778 9.320 1.00 19.91 H new ATOM 1208 N GLN C 62 30.300 9.695 9.868 1.00 19.90 N ATOM 1209 CA GLN C 62 30.567 8.289 9.591 1.00 20.26 C ATOM 1210 C GLN C 62 29.858 7.847 8.316 1.00 18.85 C ATOM 1211 O GLN C 62 30.405 7.082 7.523 1.00 19.67 O ATOM 1212 CB GLN C 62 30.116 7.421 10.767 1.00 20.00 C ATOM 1213 CG GLN C 62 31.191 7.216 11.821 1.00 22.52 C ATOM 1214 CD GLN C 62 31.660 8.520 12.434 1.00 23.24 C ATOM 1215 OE1 GLN C 62 31.007 9.555 12.294 1.00 23.80 O ATOM 1216 NE2 GLN C 62 32.797 8.478 13.118 1.00 23.42 N ATOM 0 H GLN C 62 29.965 9.882 10.813 1.00 19.90 H new ATOM 0 HA GLN C 62 31.641 8.167 9.452 1.00 20.26 H new ATOM 0 HB2 GLN C 62 29.245 7.881 11.234 1.00 20.00 H new ATOM 0 HB3 GLN C 62 29.799 6.449 10.389 1.00 20.00 H new ATOM 0 HG2 GLN C 62 30.805 6.567 12.607 1.00 22.52 H new ATOM 0 HG3 GLN C 62 32.042 6.703 11.373 1.00 22.52 H new ATOM 0 HE21 GLN C 62 33.305 7.598 13.209 1.00 23.42 H new ATOM 0 HE22 GLN C 62 33.162 9.325 13.553 1.00 23.42 H new ATOM 1225 N SER C 63 28.637 8.338 8.125 1.00 16.91 N ATOM 1226 CA SER C 63 27.853 7.996 6.944 1.00 15.75 C ATOM 1227 C SER C 63 28.522 8.527 5.681 1.00 15.87 C ATOM 1228 O SER C 63 28.614 7.827 4.673 1.00 14.31 O ATOM 1229 CB SER C 63 26.438 8.562 7.062 1.00 16.49 C ATOM 1230 OG SER C 63 26.136 8.907 8.403 1.00 18.02 O ATOM 0 H SER C 63 28.170 8.973 8.772 1.00 16.91 H new ATOM 0 HA SER C 63 27.795 6.910 6.877 1.00 15.75 H new ATOM 0 HB2 SER C 63 26.341 9.442 6.426 1.00 16.49 H new ATOM 0 HB3 SER C 63 25.718 7.827 6.701 1.00 16.49 H new ATOM 0 HG SER C 63 25.226 9.268 8.451 1.00 18.02 H new ATOM 1236 N GLU C 64 28.992 9.770 5.745 1.00 17.98 N ATOM 1237 CA GLU C 64 29.658 10.393 4.607 1.00 18.60 C ATOM 1238 C GLU C 64 30.910 9.613 4.215 1.00 17.44 C ATOM 1239 O GLU C 64 31.396 9.727 3.090 1.00 17.44 O ATOM 1240 CB GLU C 64 30.023 11.843 4.931 1.00 21.19 C ATOM 1241 CG GLU C 64 29.216 12.861 4.143 1.00 21.57 C ATOM 1242 CD GLU C 64 30.084 13.730 3.254 1.00 23.81 C ATOM 1243 OE1 GLU C 64 30.741 14.651 3.783 1.00 25.02 O ATOM 1244 OE2 GLU C 64 30.107 13.490 2.029 1.00 24.45 O ATOM 0 H GLU C 64 28.924 10.364 6.571 1.00 17.98 H new ATOM 0 HA GLU C 64 28.967 10.382 3.764 1.00 18.60 H new ATOM 0 HB2 GLU C 64 29.873 12.018 5.996 1.00 21.19 H new ATOM 0 HB3 GLU C 64 31.083 11.996 4.729 1.00 21.19 H new ATOM 0 HG2 GLU C 64 28.481 12.340 3.530 1.00 21.57 H new ATOM 0 HG3 GLU C 64 28.662 13.495 4.835 1.00 21.57 H new ATOM 1251 N LEU C 65 31.427 8.816 5.146 1.00 16.50 N ATOM 1252 CA LEU C 65 32.614 8.015 4.885 1.00 15.42 C ATOM 1253 C LEU C 65 32.246 6.773 4.083 1.00 13.88 C ATOM 1254 O LEU C 65 32.998 6.336 3.211 1.00 13.98 O ATOM 1255 CB LEU C 65 33.287 7.612 6.198 1.00 15.92 C ATOM 1256 CG LEU C 65 34.509 8.449 6.581 1.00 17.08 C ATOM 1257 CD1 LEU C 65 34.832 8.280 8.058 1.00 16.13 C ATOM 1258 CD2 LEU C 65 35.706 8.065 5.724 1.00 18.51 C ATOM 0 H LEU C 65 31.042 8.709 6.085 1.00 16.50 H new ATOM 0 HA LEU C 65 33.315 8.615 4.304 1.00 15.42 H new ATOM 0 HB2 LEU C 65 32.553 7.679 7.001 1.00 15.92 H new ATOM 0 HB3 LEU C 65 33.588 6.567 6.129 1.00 15.92 H new ATOM 0 HG LEU C 65 34.278 9.499 6.400 1.00 17.08 H new ATOM 0 HD11 LEU C 65 35.704 8.883 8.311 1.00 16.13 H new ATOM 0 HD12 LEU C 65 33.980 8.604 8.656 1.00 16.13 H new ATOM 0 HD13 LEU C 65 35.043 7.231 8.267 1.00 16.13 H new ATOM 0 HD21 LEU C 65 36.567 8.670 6.009 1.00 18.51 H new ATOM 0 HD22 LEU C 65 35.938 7.011 5.874 1.00 18.51 H new ATOM 0 HD23 LEU C 65 35.472 8.239 4.674 1.00 18.51 H new ATOM 1270 N VAL C 66 31.077 6.214 4.380 1.00 12.87 N ATOM 1271 CA VAL C 66 30.597 5.031 3.685 1.00 11.59 C ATOM 1272 C VAL C 66 30.121 5.386 2.281 1.00 9.45 C ATOM 1273 O VAL C 66 30.361 4.647 1.326 1.00 9.13 O ATOM 1274 CB VAL C 66 29.446 4.353 4.452 1.00 12.22 C ATOM 1275 CG1 VAL C 66 29.017 3.073 3.751 1.00 11.27 C ATOM 1276 CG2 VAL C 66 29.857 4.071 5.889 1.00 14.56 C ATOM 0 H VAL C 66 30.445 6.565 5.100 1.00 12.87 H new ATOM 0 HA VAL C 66 31.434 4.335 3.622 1.00 11.59 H new ATOM 0 HB VAL C 66 28.594 5.033 4.468 1.00 12.22 H new ATOM 0 HG11 VAL C 66 28.203 2.608 4.308 1.00 11.27 H new ATOM 0 HG12 VAL C 66 28.679 3.307 2.741 1.00 11.27 H new ATOM 0 HG13 VAL C 66 29.861 2.385 3.701 1.00 11.27 H new ATOM 0 HG21 VAL C 66 29.032 3.592 6.416 1.00 14.56 H new ATOM 0 HG22 VAL C 66 30.724 3.411 5.896 1.00 14.56 H new ATOM 0 HG23 VAL C 66 30.110 5.008 6.386 1.00 14.56 H new ATOM 1286 N LYS C 67 29.447 6.528 2.163 1.00 8.59 N ATOM 1287 CA LYS C 67 28.941 6.986 0.875 1.00 6.62 C ATOM 1288 C LYS C 67 30.094 7.294 -0.075 1.00 7.07 C ATOM 1289 O LYS C 67 30.112 6.833 -1.216 1.00 7.12 O ATOM 1290 CB LYS C 67 28.055 8.226 1.058 1.00 6.90 C ATOM 1291 CG LYS C 67 28.832 9.514 1.288 1.00 9.08 C ATOM 1292 CD LYS C 67 27.904 10.695 1.524 1.00 8.95 C ATOM 1293 CE LYS C 67 26.940 10.888 0.365 1.00 8.09 C ATOM 1294 NZ LYS C 67 26.234 12.197 0.443 1.00 7.79 N ATOM 0 H LYS C 67 29.240 7.151 2.944 1.00 8.59 H new ATOM 0 HA LYS C 67 28.338 6.189 0.439 1.00 6.62 H new ATOM 0 HB2 LYS C 67 27.428 8.345 0.175 1.00 6.90 H new ATOM 0 HB3 LYS C 67 27.387 8.061 1.903 1.00 6.90 H new ATOM 0 HG2 LYS C 67 29.492 9.392 2.147 1.00 9.08 H new ATOM 0 HG3 LYS C 67 29.466 9.716 0.425 1.00 9.08 H new ATOM 0 HD2 LYS C 67 27.341 10.538 2.444 1.00 8.95 H new ATOM 0 HD3 LYS C 67 28.494 11.601 1.662 1.00 8.95 H new ATOM 0 HE2 LYS C 67 27.486 10.826 -0.576 1.00 8.09 H new ATOM 0 HE3 LYS C 67 26.208 10.080 0.363 1.00 8.09 H new ATOM 0 HZ1 LYS C 67 25.514 12.248 -0.305 1.00 7.79 H new ATOM 0 HZ2 LYS C 67 25.775 12.289 1.372 1.00 7.79 H new ATOM 0 HZ3 LYS C 67 26.919 12.969 0.317 1.00 7.79 H new ATOM 1308 N LYS C 68 31.060 8.069 0.409 1.00 8.29 N ATOM 1309 CA LYS C 68 32.221 8.431 -0.393 1.00 9.62 C ATOM 1310 C LYS C 68 33.020 7.185 -0.752 1.00 10.12 C ATOM 1311 O LYS C 68 33.589 7.089 -1.839 1.00 12.11 O ATOM 1312 CB LYS C 68 33.103 9.425 0.364 1.00 11.75 C ATOM 1313 CG LYS C 68 32.996 10.849 -0.155 1.00 13.13 C ATOM 1314 CD LYS C 68 33.107 11.862 0.973 1.00 12.38 C ATOM 1315 CE LYS C 68 34.544 12.020 1.441 1.00 12.58 C ATOM 1316 NZ LYS C 68 35.045 13.408 1.238 1.00 13.43 N ATOM 0 H LYS C 68 31.061 8.458 1.352 1.00 8.29 H new ATOM 0 HA LYS C 68 31.876 8.904 -1.312 1.00 9.62 H new ATOM 0 HB2 LYS C 68 32.830 9.410 1.419 1.00 11.75 H new ATOM 0 HB3 LYS C 68 34.141 9.100 0.299 1.00 11.75 H new ATOM 0 HG2 LYS C 68 33.783 11.031 -0.887 1.00 13.13 H new ATOM 0 HG3 LYS C 68 32.044 10.979 -0.670 1.00 13.13 H new ATOM 0 HD2 LYS C 68 32.725 12.826 0.637 1.00 12.38 H new ATOM 0 HD3 LYS C 68 32.484 11.546 1.809 1.00 12.38 H new ATOM 0 HE2 LYS C 68 34.612 11.760 2.497 1.00 12.58 H new ATOM 0 HE3 LYS C 68 35.181 11.321 0.899 1.00 12.58 H new ATOM 0 HZ1 LYS C 68 36.028 13.474 1.570 1.00 13.43 H new ATOM 0 HZ2 LYS C 68 35.004 13.647 0.227 1.00 13.43 H new ATOM 0 HZ3 LYS C 68 34.453 14.073 1.776 1.00 13.43 H new ATOM 1330 N MET C 69 33.048 6.229 0.170 1.00 8.44 N ATOM 1331 CA MET C 69 33.763 4.980 -0.043 1.00 8.75 C ATOM 1332 C MET C 69 33.056 4.141 -1.105 1.00 7.37 C ATOM 1333 O MET C 69 33.691 3.608 -2.015 1.00 6.82 O ATOM 1334 CB MET C 69 33.867 4.203 1.274 1.00 8.97 C ATOM 1335 CG MET C 69 34.319 2.760 1.107 1.00 7.93 C ATOM 1336 SD MET C 69 32.942 1.598 1.148 1.00 7.50 S ATOM 1337 CE MET C 69 32.734 1.380 2.913 1.00 8.53 C ATOM 0 H MET C 69 32.582 6.298 1.074 1.00 8.44 H new ATOM 0 HA MET C 69 34.770 5.205 -0.395 1.00 8.75 H new ATOM 0 HB2 MET C 69 34.566 4.718 1.933 1.00 8.97 H new ATOM 0 HB3 MET C 69 32.895 4.214 1.768 1.00 8.97 H new ATOM 0 HG2 MET C 69 34.850 2.656 0.161 1.00 7.93 H new ATOM 0 HG3 MET C 69 35.025 2.510 1.898 1.00 7.93 H new ATOM 0 HE1 MET C 69 32.173 0.465 3.103 1.00 8.53 H new ATOM 0 HE2 MET C 69 33.712 1.312 3.389 1.00 8.53 H new ATOM 0 HE3 MET C 69 32.190 2.231 3.323 1.00 8.53 H new ATOM 1347 N VAL C 70 31.736 4.038 -0.982 1.00 7.49 N ATOM 1348 CA VAL C 70 30.936 3.275 -1.931 1.00 7.77 C ATOM 1349 C VAL C 70 30.976 3.928 -3.310 1.00 8.26 C ATOM 1350 O VAL C 70 30.972 3.242 -4.332 1.00 8.09 O ATOM 1351 CB VAL C 70 29.472 3.144 -1.446 1.00 8.04 C ATOM 1352 CG1 VAL C 70 28.557 2.613 -2.544 1.00 9.34 C ATOM 1353 CG2 VAL C 70 29.407 2.246 -0.222 1.00 5.87 C ATOM 0 H VAL C 70 31.198 4.474 -0.233 1.00 7.49 H new ATOM 0 HA VAL C 70 31.364 2.275 -2.002 1.00 7.77 H new ATOM 0 HB VAL C 70 29.119 4.140 -1.180 1.00 8.04 H new ATOM 0 HG11 VAL C 70 27.539 2.536 -2.163 1.00 9.34 H new ATOM 0 HG12 VAL C 70 28.576 3.295 -3.394 1.00 9.34 H new ATOM 0 HG13 VAL C 70 28.902 1.629 -2.860 1.00 9.34 H new ATOM 0 HG21 VAL C 70 28.373 2.160 0.112 1.00 5.87 H new ATOM 0 HG22 VAL C 70 29.790 1.257 -0.475 1.00 5.87 H new ATOM 0 HG23 VAL C 70 30.012 2.675 0.577 1.00 5.87 H new ATOM 1363 N PHE C 71 31.020 5.256 -3.331 1.00 9.29 N ATOM 1364 CA PHE C 71 31.068 5.991 -4.587 1.00 9.98 C ATOM 1365 C PHE C 71 32.205 5.474 -5.463 1.00 10.12 C ATOM 1366 O PHE C 71 31.977 4.995 -6.572 1.00 9.89 O ATOM 1367 CB PHE C 71 31.240 7.490 -4.324 1.00 11.12 C ATOM 1368 CG PHE C 71 31.546 8.286 -5.562 1.00 12.47 C ATOM 1369 CD1 PHE C 71 30.518 8.684 -6.428 1.00 12.85 C ATOM 1370 CD2 PHE C 71 32.867 8.634 -5.874 1.00 13.82 C ATOM 1371 CE1 PHE C 71 30.803 9.416 -7.584 1.00 14.32 C ATOM 1372 CE2 PHE C 71 33.158 9.367 -7.028 1.00 15.52 C ATOM 1373 CZ PHE C 71 32.125 9.758 -7.884 1.00 15.68 C ATOM 0 H PHE C 71 31.023 5.842 -2.496 1.00 9.29 H new ATOM 0 HA PHE C 71 30.126 5.837 -5.113 1.00 9.98 H new ATOM 0 HB2 PHE C 71 30.329 7.878 -3.869 1.00 11.12 H new ATOM 0 HB3 PHE C 71 32.043 7.634 -3.602 1.00 11.12 H new ATOM 0 HD1 PHE C 71 29.495 8.422 -6.200 1.00 12.85 H new ATOM 0 HD2 PHE C 71 33.669 8.333 -5.216 1.00 13.82 H new ATOM 0 HE1 PHE C 71 30.003 9.717 -8.244 1.00 14.32 H new ATOM 0 HE2 PHE C 71 34.180 9.631 -7.258 1.00 15.52 H new ATOM 0 HZ PHE C 71 32.348 10.324 -8.777 1.00 15.68 H new ATOM 1383 N ASP C 72 33.430 5.574 -4.957 1.00 10.60 N ATOM 1384 CA ASP C 72 34.601 5.114 -5.695 1.00 10.82 C ATOM 1385 C ASP C 72 34.404 3.682 -6.180 1.00 10.19 C ATOM 1386 O ASP C 72 34.614 3.381 -7.355 1.00 11.16 O ATOM 1387 CB ASP C 72 35.851 5.201 -4.817 1.00 11.29 C ATOM 1388 CG ASP C 72 37.034 5.802 -5.551 1.00 12.35 C ATOM 1389 OD1 ASP C 72 37.109 7.045 -5.640 1.00 14.10 O ATOM 1390 OD2 ASP C 72 37.885 5.028 -6.038 1.00 11.75 O ATOM 0 H ASP C 72 33.638 5.969 -4.040 1.00 10.60 H new ATOM 0 HA ASP C 72 34.732 5.760 -6.563 1.00 10.82 H new ATOM 0 HB2 ASP C 72 35.631 5.802 -3.935 1.00 11.29 H new ATOM 0 HB3 ASP C 72 36.114 4.204 -4.465 1.00 11.29 H new ATOM 1395 N THR C 73 33.995 2.801 -5.271 1.00 8.88 N ATOM 1396 CA THR C 73 33.766 1.404 -5.617 1.00 8.20 C ATOM 1397 C THR C 73 32.734 1.301 -6.734 1.00 9.29 C ATOM 1398 O THR C 73 33.067 0.976 -7.874 1.00 10.27 O ATOM 1399 CB THR C 73 33.295 0.616 -4.388 1.00 5.99 C ATOM 1400 OG1 THR C 73 34.351 0.467 -3.455 1.00 4.74 O ATOM 1401 CG2 THR C 73 32.774 -0.772 -4.713 1.00 5.03 C ATOM 0 H THR C 73 33.816 3.030 -4.293 1.00 8.88 H new ATOM 0 HA THR C 73 34.706 0.975 -5.965 1.00 8.20 H new ATOM 0 HB THR C 73 32.474 1.202 -3.975 1.00 5.99 H new ATOM 0 HG1 THR C 73 34.097 0.882 -2.604 1.00 4.74 H new ATOM 0 HG21 THR C 73 32.460 -1.267 -3.794 1.00 5.03 H new ATOM 0 HG22 THR C 73 31.924 -0.692 -5.391 1.00 5.03 H new ATOM 0 HG23 THR C 73 33.563 -1.355 -5.188 1.00 5.03 H new ATOM 1409 N LEU C 74 31.478 1.583 -6.399 1.00 9.46 N ATOM 1410 CA LEU C 74 30.397 1.526 -7.376 1.00 11.04 C ATOM 1411 C LEU C 74 30.764 2.296 -8.638 1.00 11.54 C ATOM 1412 O LEU C 74 30.403 1.902 -9.747 1.00 12.25 O ATOM 1413 CB LEU C 74 29.110 2.088 -6.774 1.00 11.31 C ATOM 1414 CG LEU C 74 28.481 1.233 -5.672 1.00 10.47 C ATOM 1415 CD1 LEU C 74 27.043 1.659 -5.433 1.00 12.88 C ATOM 1416 CD2 LEU C 74 28.551 -0.247 -6.032 1.00 8.87 C ATOM 0 H LEU C 74 31.185 1.853 -5.460 1.00 9.46 H new ATOM 0 HA LEU C 74 30.237 0.482 -7.645 1.00 11.04 H new ATOM 0 HB2 LEU C 74 29.319 3.078 -6.369 1.00 11.31 H new ATOM 0 HB3 LEU C 74 28.380 2.218 -7.573 1.00 11.31 H new ATOM 0 HG LEU C 74 29.045 1.384 -4.752 1.00 10.47 H new ATOM 0 HD11 LEU C 74 26.607 1.043 -4.647 1.00 12.88 H new ATOM 0 HD12 LEU C 74 27.019 2.706 -5.129 1.00 12.88 H new ATOM 0 HD13 LEU C 74 26.469 1.535 -6.351 1.00 12.88 H new ATOM 0 HD21 LEU C 74 28.098 -0.837 -5.235 1.00 8.87 H new ATOM 0 HD22 LEU C 74 28.012 -0.421 -6.963 1.00 8.87 H new ATOM 0 HD23 LEU C 74 29.593 -0.543 -6.155 1.00 8.87 H new ATOM 1428 N LYS C 75 31.492 3.391 -8.462 1.00 11.31 N ATOM 1429 CA LYS C 75 31.921 4.212 -9.587 1.00 11.89 C ATOM 1430 C LYS C 75 32.685 3.365 -10.593 1.00 13.24 C ATOM 1431 O LYS C 75 32.219 3.126 -11.707 1.00 14.79 O ATOM 1432 CB LYS C 75 32.806 5.360 -9.096 1.00 9.92 C ATOM 1433 CG LYS C 75 33.422 6.180 -10.217 1.00 10.72 C ATOM 1434 CD LYS C 75 34.526 7.088 -9.700 1.00 8.96 C ATOM 1435 CE LYS C 75 34.186 8.555 -9.909 1.00 8.67 C ATOM 1436 NZ LYS C 75 34.670 9.055 -11.225 1.00 8.66 N ATOM 0 H LYS C 75 31.798 3.731 -7.550 1.00 11.31 H new ATOM 0 HA LYS C 75 31.038 4.628 -10.072 1.00 11.89 H new ATOM 0 HB2 LYS C 75 32.213 6.018 -8.461 1.00 9.92 H new ATOM 0 HB3 LYS C 75 33.604 4.952 -8.476 1.00 9.92 H new ATOM 0 HG2 LYS C 75 33.825 5.512 -10.979 1.00 10.72 H new ATOM 0 HG3 LYS C 75 32.650 6.781 -10.697 1.00 10.72 H new ATOM 0 HD2 LYS C 75 34.687 6.899 -8.639 1.00 8.96 H new ATOM 0 HD3 LYS C 75 35.460 6.854 -10.211 1.00 8.96 H new ATOM 0 HE2 LYS C 75 33.106 8.690 -9.844 1.00 8.67 H new ATOM 0 HE3 LYS C 75 34.630 9.148 -9.110 1.00 8.67 H new ATOM 0 HZ1 LYS C 75 34.418 10.059 -11.329 1.00 8.66 H new ATOM 0 HZ2 LYS C 75 35.703 8.950 -11.278 1.00 8.66 H new ATOM 0 HZ3 LYS C 75 34.227 8.506 -11.989 1.00 8.66 H new ATOM 1450 N ASP C 76 33.862 2.911 -10.184 1.00 12.97 N ATOM 1451 CA ASP C 76 34.702 2.081 -11.038 1.00 14.57 C ATOM 1452 C ASP C 76 34.014 0.757 -11.358 1.00 16.08 C ATOM 1453 O ASP C 76 34.210 0.188 -12.432 1.00 17.98 O ATOM 1454 CB ASP C 76 36.049 1.817 -10.362 1.00 13.97 C ATOM 1455 CG ASP C 76 37.224 2.144 -11.263 1.00 14.82 C ATOM 1456 OD1 ASP C 76 37.138 1.864 -12.477 1.00 17.16 O ATOM 1457 OD2 ASP C 76 38.231 2.680 -10.754 1.00 13.42 O ATOM 0 H ASP C 76 34.258 3.104 -9.264 1.00 12.97 H new ATOM 0 HA ASP C 76 34.870 2.618 -11.972 1.00 14.57 H new ATOM 0 HB2 ASP C 76 36.117 2.411 -9.451 1.00 13.97 H new ATOM 0 HB3 ASP C 76 36.104 0.770 -10.064 1.00 13.97 H new ATOM 1462 N LEU C 77 33.206 0.270 -10.419 1.00 15.39 N ATOM 1463 CA LEU C 77 32.490 -0.987 -10.604 1.00 16.86 C ATOM 1464 C LEU C 77 31.486 -0.874 -11.747 1.00 19.43 C ATOM 1465 O LEU C 77 31.574 -1.601 -12.736 1.00 21.17 O ATOM 1466 CB LEU C 77 31.786 -1.386 -9.299 1.00 15.80 C ATOM 1467 CG LEU C 77 30.657 -2.413 -9.434 1.00 16.06 C ATOM 1468 CD1 LEU C 77 31.022 -3.493 -10.443 1.00 15.65 C ATOM 1469 CD2 LEU C 77 30.341 -3.033 -8.081 1.00 16.92 C ATOM 0 H LEU C 77 33.032 0.727 -9.524 1.00 15.39 H new ATOM 0 HA LEU C 77 33.209 -1.764 -10.865 1.00 16.86 H new ATOM 0 HB2 LEU C 77 32.533 -1.785 -8.613 1.00 15.80 H new ATOM 0 HB3 LEU C 77 31.379 -0.486 -8.839 1.00 15.80 H new ATOM 0 HG LEU C 77 29.768 -1.897 -9.798 1.00 16.06 H new ATOM 0 HD11 LEU C 77 30.204 -4.210 -10.521 1.00 15.65 H new ATOM 0 HD12 LEU C 77 31.198 -3.036 -11.417 1.00 15.65 H new ATOM 0 HD13 LEU C 77 31.925 -4.007 -10.115 1.00 15.65 H new ATOM 0 HD21 LEU C 77 29.537 -3.760 -8.193 1.00 16.92 H new ATOM 0 HD22 LEU C 77 31.229 -3.531 -7.693 1.00 16.92 H new ATOM 0 HD23 LEU C 77 30.030 -2.252 -7.387 1.00 16.92 H new ATOM 1481 N TYR C 78 30.537 0.045 -11.609 1.00 19.73 N ATOM 1482 CA TYR C 78 29.523 0.254 -12.636 1.00 22.18 C ATOM 1483 C TYR C 78 30.172 0.589 -13.976 1.00 22.94 C ATOM 1484 O TYR C 78 29.576 0.382 -15.033 1.00 23.61 O ATOM 1485 CB TYR C 78 28.567 1.377 -12.224 1.00 23.83 C ATOM 1486 CG TYR C 78 27.721 1.057 -11.008 1.00 24.18 C ATOM 1487 CD1 TYR C 78 27.534 -0.270 -10.578 1.00 24.38 C ATOM 1488 CD2 TYR C 78 27.099 2.086 -10.279 1.00 24.57 C ATOM 1489 CE1 TYR C 78 26.751 -0.560 -9.457 1.00 25.09 C ATOM 1490 CE2 TYR C 78 26.315 1.802 -9.157 1.00 25.01 C ATOM 1491 CZ TYR C 78 26.144 0.479 -8.751 1.00 25.34 C ATOM 1492 OH TYR C 78 25.372 0.196 -7.648 1.00 26.13 O ATOM 0 H TYR C 78 30.449 0.656 -10.797 1.00 19.73 H new ATOM 0 HA TYR C 78 28.956 -0.671 -12.745 1.00 22.18 H new ATOM 0 HB2 TYR C 78 29.147 2.277 -12.022 1.00 23.83 H new ATOM 0 HB3 TYR C 78 27.908 1.604 -13.062 1.00 23.83 H new ATOM 0 HD1 TYR C 78 28.003 -1.076 -11.122 1.00 24.38 H new ATOM 0 HD2 TYR C 78 27.229 3.112 -10.591 1.00 24.57 H new ATOM 0 HE1 TYR C 78 26.617 -1.583 -9.139 1.00 25.09 H new ATOM 0 HE2 TYR C 78 25.844 2.603 -8.607 1.00 25.01 H new ATOM 0 HH TYR C 78 24.437 0.092 -7.921 1.00 26.13 H new ATOM 1502 N LYS C 79 31.396 1.106 -13.925 1.00 22.94 N ATOM 1503 CA LYS C 79 32.124 1.466 -15.136 1.00 23.74 C ATOM 1504 C LYS C 79 32.531 0.219 -15.914 1.00 23.96 C ATOM 1505 O LYS C 79 32.639 0.248 -17.140 1.00 23.71 O ATOM 1506 CB LYS C 79 33.364 2.291 -14.788 1.00 21.93 C ATOM 1507 CG LYS C 79 33.104 3.788 -14.740 1.00 23.24 C ATOM 1508 CD LYS C 79 34.395 4.582 -14.860 1.00 23.44 C ATOM 1509 CE LYS C 79 34.122 6.059 -15.095 1.00 23.78 C ATOM 1510 NZ LYS C 79 35.136 6.924 -14.430 1.00 23.82 N ATOM 0 H LYS C 79 31.904 1.285 -13.059 1.00 22.94 H new ATOM 0 HA LYS C 79 31.463 2.066 -15.762 1.00 23.74 H new ATOM 0 HB2 LYS C 79 33.747 1.966 -13.821 1.00 21.93 H new ATOM 0 HB3 LYS C 79 34.143 2.089 -15.523 1.00 21.93 H new ATOM 0 HG2 LYS C 79 32.428 4.067 -15.548 1.00 23.24 H new ATOM 0 HG3 LYS C 79 32.605 4.042 -13.805 1.00 23.24 H new ATOM 0 HD2 LYS C 79 34.984 4.460 -13.951 1.00 23.44 H new ATOM 0 HD3 LYS C 79 34.992 4.186 -15.682 1.00 23.44 H new ATOM 0 HE2 LYS C 79 34.118 6.262 -16.166 1.00 23.78 H new ATOM 0 HE3 LYS C 79 33.130 6.309 -14.720 1.00 23.78 H new ATOM 0 HZ1 LYS C 79 34.914 7.923 -14.614 1.00 23.82 H new ATOM 0 HZ2 LYS C 79 35.122 6.750 -13.405 1.00 23.82 H new ATOM 0 HZ3 LYS C 79 36.080 6.704 -14.806 1.00 23.82 H new ATOM 1524 N LYS C 80 32.756 -0.876 -15.193 1.00 24.57 N ATOM 1525 CA LYS C 80 33.151 -2.133 -15.819 1.00 25.17 C ATOM 1526 C LYS C 80 32.081 -2.616 -16.793 1.00 27.97 C ATOM 1527 O LYS C 80 32.375 -3.335 -17.747 1.00 28.81 O ATOM 1528 CB LYS C 80 33.407 -3.200 -14.754 1.00 24.80 C ATOM 1529 CG LYS C 80 34.107 -4.438 -15.290 1.00 24.83 C ATOM 1530 CD LYS C 80 33.257 -5.685 -15.102 1.00 26.69 C ATOM 1531 CE LYS C 80 33.873 -6.888 -15.798 1.00 28.16 C ATOM 1532 NZ LYS C 80 33.867 -8.096 -14.928 1.00 29.34 N ATOM 0 H LYS C 80 32.672 -0.918 -14.177 1.00 24.57 H new ATOM 0 HA LYS C 80 34.071 -1.958 -16.376 1.00 25.17 H new ATOM 0 HB2 LYS C 80 34.011 -2.768 -13.956 1.00 24.80 H new ATOM 0 HB3 LYS C 80 32.456 -3.494 -14.310 1.00 24.80 H new ATOM 0 HG2 LYS C 80 34.327 -4.303 -16.349 1.00 24.83 H new ATOM 0 HG3 LYS C 80 35.062 -4.567 -14.780 1.00 24.83 H new ATOM 0 HD2 LYS C 80 33.148 -5.895 -14.038 1.00 26.69 H new ATOM 0 HD3 LYS C 80 32.256 -5.508 -15.496 1.00 26.69 H new ATOM 0 HE2 LYS C 80 33.322 -7.098 -16.715 1.00 28.16 H new ATOM 0 HE3 LYS C 80 34.897 -6.654 -16.088 1.00 28.16 H new ATOM 0 HZ1 LYS C 80 34.295 -8.894 -15.439 1.00 29.34 H new ATOM 0 HZ2 LYS C 80 34.414 -7.905 -14.064 1.00 29.34 H new ATOM 0 HZ3 LYS C 80 32.888 -8.335 -14.672 1.00 29.34 H new ATOM 1546 N THR C 81 30.838 -2.214 -16.545 1.00 29.46 N ATOM 1547 CA THR C 81 29.723 -2.605 -17.401 1.00 32.19 C ATOM 1548 C THR C 81 29.613 -1.679 -18.606 1.00 32.95 C ATOM 1549 O THR C 81 29.711 -2.116 -19.752 1.00 32.58 O ATOM 1550 CB THR C 81 28.414 -2.587 -16.610 1.00 33.14 C ATOM 1551 OG1 THR C 81 28.009 -1.257 -16.341 1.00 32.17 O ATOM 1552 CG2 THR C 81 28.503 -3.317 -15.287 1.00 33.22 C ATOM 0 H THR C 81 30.578 -1.618 -15.759 1.00 29.46 H new ATOM 0 HA THR C 81 29.910 -3.618 -17.758 1.00 32.19 H new ATOM 0 HB THR C 81 27.689 -3.101 -17.241 1.00 33.14 H new ATOM 0 HG1 THR C 81 28.610 -0.860 -15.677 1.00 32.17 H new ATOM 0 HG21 THR C 81 27.541 -3.266 -14.778 1.00 33.22 H new ATOM 0 HG22 THR C 81 28.765 -4.360 -15.464 1.00 33.22 H new ATOM 0 HG23 THR C 81 29.268 -2.852 -14.665 1.00 33.22 H new ATOM 1616 N ASP D 54 26.771 6.647 -17.359 1.00 33.48 N ATOM 1617 CA ASP D 54 25.675 6.533 -16.404 1.00 31.66 C ATOM 1618 C ASP D 54 26.154 5.914 -15.093 1.00 30.17 C ATOM 1619 O ASP D 54 25.547 6.118 -14.042 1.00 29.53 O ATOM 1620 CB ASP D 54 24.543 5.691 -16.994 1.00 32.07 C ATOM 1621 CG ASP D 54 24.038 6.244 -18.313 1.00 32.69 C ATOM 1622 OD1 ASP D 54 23.395 7.314 -18.301 1.00 33.04 O ATOM 1623 OD2 ASP D 54 24.287 5.606 -19.358 1.00 33.09 O ATOM 0 HA ASP D 54 25.303 7.536 -16.196 1.00 31.66 H new ATOM 0 HB2 ASP D 54 24.893 4.669 -17.142 1.00 32.07 H new ATOM 0 HB3 ASP D 54 23.718 5.646 -16.282 1.00 32.07 H new ATOM 1628 N ALA D 55 27.244 5.156 -15.163 1.00 29.77 N ATOM 1629 CA ALA D 55 27.801 4.508 -13.982 1.00 28.47 C ATOM 1630 C ALA D 55 28.026 5.512 -12.857 1.00 27.42 C ATOM 1631 O ALA D 55 27.836 5.196 -11.683 1.00 26.13 O ATOM 1632 CB ALA D 55 29.103 3.803 -14.332 1.00 29.10 C ATOM 0 H ALA D 55 27.758 4.976 -16.025 1.00 29.77 H new ATOM 0 HA ALA D 55 27.082 3.767 -13.632 1.00 28.47 H new ATOM 0 HB1 ALA D 55 29.508 3.323 -13.441 1.00 29.10 H new ATOM 0 HB2 ALA D 55 28.914 3.049 -15.096 1.00 29.10 H new ATOM 0 HB3 ALA D 55 29.821 4.531 -14.710 1.00 29.10 H new ATOM 1638 N GLU D 56 28.432 6.724 -13.223 1.00 28.06 N ATOM 1639 CA GLU D 56 28.682 7.773 -12.242 1.00 27.24 C ATOM 1640 C GLU D 56 27.387 8.196 -11.557 1.00 26.60 C ATOM 1641 O GLU D 56 27.254 8.087 -10.338 1.00 27.10 O ATOM 1642 CB GLU D 56 29.338 8.982 -12.911 1.00 28.26 C ATOM 1643 CG GLU D 56 30.803 9.156 -12.545 1.00 30.74 C ATOM 1644 CD GLU D 56 31.089 10.502 -11.909 1.00 31.43 C ATOM 1645 OE1 GLU D 56 30.270 10.953 -11.080 1.00 29.72 O ATOM 1646 OE2 GLU D 56 32.132 11.106 -12.239 1.00 33.72 O ATOM 0 H GLU D 56 28.595 7.003 -14.191 1.00 28.06 H new ATOM 0 HA GLU D 56 29.359 7.375 -11.486 1.00 27.24 H new ATOM 0 HB2 GLU D 56 29.251 8.880 -13.993 1.00 28.26 H new ATOM 0 HB3 GLU D 56 28.792 9.883 -12.631 1.00 28.26 H new ATOM 0 HG2 GLU D 56 31.099 8.363 -11.858 1.00 30.74 H new ATOM 0 HG3 GLU D 56 31.413 9.045 -13.441 1.00 30.74 H new ATOM 1653 N ARG D 57 26.433 8.677 -12.348 1.00 25.70 N ATOM 1654 CA ARG D 57 25.148 9.114 -11.816 1.00 25.35 C ATOM 1655 C ARG D 57 24.539 8.038 -10.921 1.00 23.77 C ATOM 1656 O ARG D 57 23.820 8.341 -9.969 1.00 23.81 O ATOM 1657 CB ARG D 57 24.185 9.451 -12.957 1.00 25.19 C ATOM 1658 CG ARG D 57 23.733 8.238 -13.756 1.00 23.54 C ATOM 1659 CD ARG D 57 22.379 8.471 -14.406 1.00 23.10 C ATOM 1660 NE ARG D 57 21.443 7.386 -14.123 1.00 21.44 N ATOM 1661 CZ ARG D 57 20.152 7.426 -14.437 1.00 19.71 C ATOM 1662 NH1 ARG D 57 19.648 8.492 -15.044 1.00 19.55 N ATOM 1663 NH2 ARG D 57 19.365 6.400 -14.145 1.00 18.32 N ATOM 0 H ARG D 57 26.526 8.774 -13.359 1.00 25.70 H new ATOM 0 HA ARG D 57 25.315 10.010 -11.218 1.00 25.35 H new ATOM 0 HB2 ARG D 57 23.308 9.950 -12.545 1.00 25.19 H new ATOM 0 HB3 ARG D 57 24.668 10.159 -13.631 1.00 25.19 H new ATOM 0 HG2 ARG D 57 24.472 8.011 -14.524 1.00 23.54 H new ATOM 0 HG3 ARG D 57 23.678 7.369 -13.100 1.00 23.54 H new ATOM 0 HD2 ARG D 57 21.962 9.412 -14.048 1.00 23.10 H new ATOM 0 HD3 ARG D 57 22.506 8.568 -15.484 1.00 23.10 H new ATOM 0 HE ARG D 57 21.800 6.551 -13.658 1.00 21.44 H new ATOM 0 HH11 ARG D 57 20.251 9.283 -15.271 1.00 19.55 H new ATOM 0 HH12 ARG D 57 18.657 8.521 -15.284 1.00 19.55 H new ATOM 0 HH21 ARG D 57 19.750 5.579 -13.679 1.00 18.32 H new ATOM 0 HH22 ARG D 57 18.375 6.432 -14.387 1.00 18.32 H new ATOM 1677 N LEU D 58 24.835 6.781 -11.235 1.00 22.49 N ATOM 1678 CA LEU D 58 24.321 5.658 -10.462 1.00 21.14 C ATOM 1679 C LEU D 58 25.012 5.572 -9.108 1.00 19.35 C ATOM 1680 O LEU D 58 24.372 5.693 -8.064 1.00 17.34 O ATOM 1681 CB LEU D 58 24.515 4.351 -11.232 1.00 21.79 C ATOM 1682 CG LEU D 58 23.309 3.900 -12.058 1.00 21.00 C ATOM 1683 CD1 LEU D 58 23.748 2.966 -13.175 1.00 20.45 C ATOM 1684 CD2 LEU D 58 22.276 3.225 -11.168 1.00 20.51 C ATOM 0 H LEU D 58 25.429 6.515 -12.020 1.00 22.49 H new ATOM 0 HA LEU D 58 23.256 5.818 -10.297 1.00 21.14 H new ATOM 0 HB2 LEU D 58 25.371 4.463 -11.898 1.00 21.79 H new ATOM 0 HB3 LEU D 58 24.765 3.563 -10.522 1.00 21.79 H new ATOM 0 HG LEU D 58 22.850 4.780 -12.508 1.00 21.00 H new ATOM 0 HD11 LEU D 58 22.877 2.655 -13.752 1.00 20.45 H new ATOM 0 HD12 LEU D 58 24.450 3.484 -13.828 1.00 20.45 H new ATOM 0 HD13 LEU D 58 24.232 2.088 -12.746 1.00 20.45 H new ATOM 0 HD21 LEU D 58 21.425 2.911 -11.772 1.00 20.51 H new ATOM 0 HD22 LEU D 58 22.722 2.354 -10.689 1.00 20.51 H new ATOM 0 HD23 LEU D 58 21.940 3.926 -10.405 1.00 20.51 H new ATOM 1696 N ALA D 59 26.324 5.366 -9.136 1.00 20.24 N ATOM 1697 CA ALA D 59 27.115 5.265 -7.913 1.00 18.87 C ATOM 1698 C ALA D 59 26.747 6.370 -6.930 1.00 17.95 C ATOM 1699 O ALA D 59 26.832 6.191 -5.716 1.00 18.13 O ATOM 1700 CB ALA D 59 28.600 5.316 -8.240 1.00 19.05 C ATOM 0 H ALA D 59 26.865 5.265 -9.995 1.00 20.24 H new ATOM 0 HA ALA D 59 26.892 4.308 -7.442 1.00 18.87 H new ATOM 0 HB1 ALA D 59 29.178 5.240 -7.319 1.00 19.05 H new ATOM 0 HB2 ALA D 59 28.856 4.486 -8.899 1.00 19.05 H new ATOM 0 HB3 ALA D 59 28.831 6.258 -8.736 1.00 19.05 H new ATOM 1706 N ASP D 60 26.326 7.510 -7.467 1.00 17.18 N ATOM 1707 CA ASP D 60 25.931 8.642 -6.639 1.00 16.29 C ATOM 1708 C ASP D 60 24.612 8.346 -5.936 1.00 13.31 C ATOM 1709 O ASP D 60 24.442 8.650 -4.755 1.00 12.31 O ATOM 1710 CB ASP D 60 25.799 9.907 -7.488 1.00 17.21 C ATOM 1711 CG ASP D 60 25.360 11.107 -6.672 1.00 18.10 C ATOM 1712 OD1 ASP D 60 25.897 11.298 -5.561 1.00 18.23 O ATOM 1713 OD2 ASP D 60 24.478 11.855 -7.144 1.00 18.72 O ATOM 0 H ASP D 60 26.250 7.674 -8.471 1.00 17.18 H new ATOM 0 HA ASP D 60 26.704 8.805 -5.888 1.00 16.29 H new ATOM 0 HB2 ASP D 60 26.756 10.124 -7.963 1.00 17.21 H new ATOM 0 HB3 ASP D 60 25.079 9.731 -8.287 1.00 17.21 H new ATOM 1718 N GLU D 61 23.683 7.740 -6.670 1.00 12.14 N ATOM 1719 CA GLU D 61 22.382 7.391 -6.119 1.00 9.29 C ATOM 1720 C GLU D 61 22.526 6.308 -5.056 1.00 8.48 C ATOM 1721 O GLU D 61 21.756 6.256 -4.097 1.00 7.12 O ATOM 1722 CB GLU D 61 21.446 6.909 -7.230 1.00 8.81 C ATOM 1723 CG GLU D 61 20.670 8.031 -7.900 1.00 10.54 C ATOM 1724 CD GLU D 61 19.179 7.946 -7.636 1.00 10.22 C ATOM 1725 OE1 GLU D 61 18.658 6.816 -7.530 1.00 9.30 O ATOM 1726 OE2 GLU D 61 18.533 9.010 -7.537 1.00 11.53 O ATOM 0 H GLU D 61 23.809 7.481 -7.648 1.00 12.14 H new ATOM 0 HA GLU D 61 21.955 8.281 -5.658 1.00 9.29 H new ATOM 0 HB2 GLU D 61 22.031 6.382 -7.984 1.00 8.81 H new ATOM 0 HB3 GLU D 61 20.741 6.189 -6.813 1.00 8.81 H new ATOM 0 HG2 GLU D 61 21.044 8.990 -7.543 1.00 10.54 H new ATOM 0 HG3 GLU D 61 20.848 7.999 -8.975 1.00 10.54 H new ATOM 1733 N GLN D 62 23.525 5.449 -5.233 1.00 9.74 N ATOM 1734 CA GLN D 62 23.780 4.369 -4.289 1.00 9.40 C ATOM 1735 C GLN D 62 24.378 4.915 -2.997 1.00 10.56 C ATOM 1736 O GLN D 62 23.932 4.573 -1.902 1.00 10.86 O ATOM 1737 CB GLN D 62 24.723 3.334 -4.904 1.00 8.79 C ATOM 1738 CG GLN D 62 24.494 3.098 -6.389 1.00 8.71 C ATOM 1739 CD GLN D 62 23.024 2.998 -6.749 1.00 5.94 C ATOM 1740 OE1 GLN D 62 22.193 2.637 -5.915 1.00 4.51 O ATOM 1741 NE2 GLN D 62 22.695 3.318 -7.995 1.00 5.82 N ATOM 0 H GLN D 62 24.171 5.481 -6.022 1.00 9.74 H new ATOM 0 HA GLN D 62 22.830 3.887 -4.058 1.00 9.40 H new ATOM 0 HB2 GLN D 62 25.752 3.659 -4.752 1.00 8.79 H new ATOM 0 HB3 GLN D 62 24.606 2.389 -4.373 1.00 8.79 H new ATOM 0 HG2 GLN D 62 24.947 3.911 -6.956 1.00 8.71 H new ATOM 0 HG3 GLN D 62 25.000 2.180 -6.689 1.00 8.71 H new ATOM 0 HE21 GLN D 62 23.416 3.612 -8.653 1.00 5.82 H new ATOM 0 HE22 GLN D 62 21.721 3.270 -8.294 1.00 5.82 H new ATOM 1750 N SER D 63 25.388 5.769 -3.134 1.00 11.50 N ATOM 1751 CA SER D 63 26.043 6.367 -1.977 1.00 12.80 C ATOM 1752 C SER D 63 25.017 7.020 -1.059 1.00 11.91 C ATOM 1753 O SER D 63 24.878 6.638 0.103 1.00 10.75 O ATOM 1754 CB SER D 63 27.077 7.402 -2.425 1.00 15.79 C ATOM 1755 OG SER D 63 26.809 7.856 -3.741 1.00 16.52 O ATOM 0 H SER D 63 25.770 6.062 -4.034 1.00 11.50 H new ATOM 0 HA SER D 63 26.552 5.576 -1.426 1.00 12.80 H new ATOM 0 HB2 SER D 63 27.071 8.248 -1.737 1.00 15.79 H new ATOM 0 HB3 SER D 63 28.075 6.965 -2.384 1.00 15.79 H new ATOM 0 HG SER D 63 27.216 7.242 -4.388 1.00 16.52 H new ATOM 1761 N GLU D 64 24.293 8.001 -1.589 1.00 12.90 N ATOM 1762 CA GLU D 64 23.277 8.696 -0.817 1.00 13.22 C ATOM 1763 C GLU D 64 22.305 7.698 -0.199 1.00 10.81 C ATOM 1764 O GLU D 64 21.774 7.923 0.888 1.00 10.86 O ATOM 1765 CB GLU D 64 22.524 9.685 -1.707 1.00 14.81 C ATOM 1766 CG GLU D 64 21.911 9.048 -2.944 1.00 13.69 C ATOM 1767 CD GLU D 64 21.527 10.071 -3.996 1.00 15.63 C ATOM 1768 OE1 GLU D 64 22.350 10.966 -4.281 1.00 17.91 O ATOM 1769 OE2 GLU D 64 20.404 9.976 -4.534 1.00 14.93 O ATOM 0 H GLU D 64 24.393 8.330 -2.549 1.00 12.90 H new ATOM 0 HA GLU D 64 23.766 9.248 -0.014 1.00 13.22 H new ATOM 0 HB2 GLU D 64 21.734 10.158 -1.123 1.00 14.81 H new ATOM 0 HB3 GLU D 64 23.208 10.475 -2.017 1.00 14.81 H new ATOM 0 HG2 GLU D 64 22.620 8.340 -3.373 1.00 13.69 H new ATOM 0 HG3 GLU D 64 21.027 8.479 -2.655 1.00 13.69 H new ATOM 1776 N LEU D 65 22.086 6.589 -0.899 1.00 9.33 N ATOM 1777 CA LEU D 65 21.190 5.548 -0.420 1.00 7.32 C ATOM 1778 C LEU D 65 21.811 4.815 0.762 1.00 5.58 C ATOM 1779 O LEU D 65 21.181 4.653 1.807 1.00 4.66 O ATOM 1780 CB LEU D 65 20.871 4.559 -1.544 1.00 7.79 C ATOM 1781 CG LEU D 65 19.451 4.649 -2.103 1.00 9.62 C ATOM 1782 CD1 LEU D 65 19.482 4.779 -3.618 1.00 10.48 C ATOM 1783 CD2 LEU D 65 18.636 3.434 -1.686 1.00 9.07 C ATOM 0 H LEU D 65 22.519 6.390 -1.801 1.00 9.33 H new ATOM 0 HA LEU D 65 20.262 6.017 -0.093 1.00 7.32 H new ATOM 0 HB2 LEU D 65 21.577 4.719 -2.359 1.00 7.79 H new ATOM 0 HB3 LEU D 65 21.036 3.547 -1.174 1.00 7.79 H new ATOM 0 HG LEU D 65 18.974 5.539 -1.692 1.00 9.62 H new ATOM 0 HD11 LEU D 65 18.463 4.842 -3.999 1.00 10.48 H new ATOM 0 HD12 LEU D 65 20.029 5.680 -3.895 1.00 10.48 H new ATOM 0 HD13 LEU D 65 19.977 3.908 -4.048 1.00 10.48 H new ATOM 0 HD21 LEU D 65 17.628 3.515 -2.093 1.00 9.07 H new ATOM 0 HD22 LEU D 65 19.110 2.530 -2.068 1.00 9.07 H new ATOM 0 HD23 LEU D 65 18.585 3.386 -0.598 1.00 9.07 H new ATOM 1795 N VAL D 66 23.056 4.379 0.592 1.00 5.82 N ATOM 1796 CA VAL D 66 23.766 3.671 1.647 1.00 5.81 C ATOM 1797 C VAL D 66 23.979 4.574 2.856 1.00 6.06 C ATOM 1798 O VAL D 66 23.992 4.111 3.996 1.00 6.29 O ATOM 1799 CB VAL D 66 25.132 3.155 1.159 1.00 6.80 C ATOM 1800 CG1 VAL D 66 25.849 2.401 2.269 1.00 7.95 C ATOM 1801 CG2 VAL D 66 24.963 2.274 -0.070 1.00 6.82 C ATOM 0 H VAL D 66 23.592 4.505 -0.267 1.00 5.82 H new ATOM 0 HA VAL D 66 23.148 2.819 1.932 1.00 5.81 H new ATOM 0 HB VAL D 66 25.744 4.013 0.882 1.00 6.80 H new ATOM 0 HG11 VAL D 66 26.812 2.045 1.904 1.00 7.95 H new ATOM 0 HG12 VAL D 66 26.007 3.066 3.118 1.00 7.95 H new ATOM 0 HG13 VAL D 66 25.243 1.551 2.582 1.00 7.95 H new ATOM 0 HG21 VAL D 66 25.939 1.919 -0.400 1.00 6.82 H new ATOM 0 HG22 VAL D 66 24.331 1.421 0.178 1.00 6.82 H new ATOM 0 HG23 VAL D 66 24.497 2.850 -0.869 1.00 6.82 H new ATOM 1811 N LYS D 67 24.144 5.867 2.596 1.00 6.57 N ATOM 1812 CA LYS D 67 24.355 6.842 3.659 1.00 6.94 C ATOM 1813 C LYS D 67 23.133 6.929 4.568 1.00 6.53 C ATOM 1814 O LYS D 67 23.241 6.787 5.786 1.00 6.48 O ATOM 1815 CB LYS D 67 24.662 8.217 3.063 1.00 7.24 C ATOM 1816 CG LYS D 67 24.892 9.296 4.108 1.00 10.00 C ATOM 1817 CD LYS D 67 24.301 10.627 3.672 1.00 10.28 C ATOM 1818 CE LYS D 67 24.508 11.700 4.729 1.00 11.76 C ATOM 1819 NZ LYS D 67 23.574 12.846 4.550 1.00 10.97 N ATOM 0 H LYS D 67 24.136 6.264 1.656 1.00 6.57 H new ATOM 0 HA LYS D 67 25.206 6.514 4.256 1.00 6.94 H new ATOM 0 HB2 LYS D 67 25.547 8.140 2.431 1.00 7.24 H new ATOM 0 HB3 LYS D 67 23.836 8.517 2.419 1.00 7.24 H new ATOM 0 HG2 LYS D 67 24.444 8.990 5.054 1.00 10.00 H new ATOM 0 HG3 LYS D 67 25.961 9.412 4.284 1.00 10.00 H new ATOM 0 HD2 LYS D 67 24.763 10.942 2.736 1.00 10.28 H new ATOM 0 HD3 LYS D 67 23.235 10.507 3.477 1.00 10.28 H new ATOM 0 HE2 LYS D 67 24.365 11.267 5.719 1.00 11.76 H new ATOM 0 HE3 LYS D 67 25.536 12.060 4.684 1.00 11.76 H new ATOM 0 HZ1 LYS D 67 23.748 13.555 5.291 1.00 10.97 H new ATOM 0 HZ2 LYS D 67 23.728 13.276 3.616 1.00 10.97 H new ATOM 0 HZ3 LYS D 67 22.593 12.508 4.618 1.00 10.97 H new ATOM 1833 N LYS D 68 21.971 7.164 3.967 1.00 7.05 N ATOM 1834 CA LYS D 68 20.729 7.270 4.723 1.00 7.37 C ATOM 1835 C LYS D 68 20.480 6.003 5.534 1.00 7.90 C ATOM 1836 O LYS D 68 19.913 6.053 6.626 1.00 8.45 O ATOM 1837 CB LYS D 68 19.553 7.525 3.779 1.00 6.82 C ATOM 1838 CG LYS D 68 19.299 8.998 3.509 1.00 7.86 C ATOM 1839 CD LYS D 68 17.815 9.324 3.557 1.00 9.14 C ATOM 1840 CE LYS D 68 17.521 10.671 2.918 1.00 9.15 C ATOM 1841 NZ LYS D 68 16.073 10.837 2.613 1.00 10.29 N ATOM 0 H LYS D 68 21.864 7.284 2.960 1.00 7.05 H new ATOM 0 HA LYS D 68 20.821 8.110 5.411 1.00 7.37 H new ATOM 0 HB2 LYS D 68 19.741 7.018 2.833 1.00 6.82 H new ATOM 0 HB3 LYS D 68 18.653 7.082 4.205 1.00 6.82 H new ATOM 0 HG2 LYS D 68 19.829 9.601 4.246 1.00 7.86 H new ATOM 0 HG3 LYS D 68 19.700 9.264 2.531 1.00 7.86 H new ATOM 0 HD2 LYS D 68 17.253 8.545 3.042 1.00 9.14 H new ATOM 0 HD3 LYS D 68 17.476 9.329 4.593 1.00 9.14 H new ATOM 0 HE2 LYS D 68 17.845 11.468 3.587 1.00 9.15 H new ATOM 0 HE3 LYS D 68 18.099 10.771 1.999 1.00 9.15 H new ATOM 0 HZ1 LYS D 68 15.914 11.768 2.178 1.00 10.29 H new ATOM 0 HZ2 LYS D 68 15.769 10.091 1.955 1.00 10.29 H new ATOM 0 HZ3 LYS D 68 15.523 10.767 3.493 1.00 10.29 H new ATOM 1855 N MET D 69 20.910 4.867 4.993 1.00 7.90 N ATOM 1856 CA MET D 69 20.736 3.586 5.667 1.00 8.48 C ATOM 1857 C MET D 69 21.635 3.495 6.895 1.00 9.35 C ATOM 1858 O MET D 69 21.182 3.149 7.986 1.00 10.96 O ATOM 1859 CB MET D 69 21.044 2.435 4.709 1.00 7.82 C ATOM 1860 CG MET D 69 20.877 1.060 5.334 1.00 8.94 C ATOM 1861 SD MET D 69 21.669 -0.241 4.369 1.00 8.06 S ATOM 1862 CE MET D 69 23.329 0.413 4.217 1.00 6.11 C ATOM 0 H MET D 69 21.381 4.808 4.090 1.00 7.90 H new ATOM 0 HA MET D 69 19.698 3.511 5.990 1.00 8.48 H new ATOM 0 HB2 MET D 69 20.390 2.512 3.841 1.00 7.82 H new ATOM 0 HB3 MET D 69 22.067 2.538 4.348 1.00 7.82 H new ATOM 0 HG2 MET D 69 21.298 1.069 6.340 1.00 8.94 H new ATOM 0 HG3 MET D 69 19.815 0.837 5.435 1.00 8.94 H new ATOM 0 HE1 MET D 69 24.025 -0.403 4.025 1.00 6.11 H new ATOM 0 HE2 MET D 69 23.366 1.123 3.391 1.00 6.11 H new ATOM 0 HE3 MET D 69 23.607 0.918 5.142 1.00 6.11 H new ATOM 1872 N VAL D 70 22.912 3.810 6.708 1.00 8.63 N ATOM 1873 CA VAL D 70 23.876 3.765 7.800 1.00 9.28 C ATOM 1874 C VAL D 70 23.689 4.949 8.745 1.00 10.62 C ATOM 1875 O VAL D 70 24.078 4.890 9.911 1.00 10.41 O ATOM 1876 CB VAL D 70 25.323 3.757 7.269 1.00 9.37 C ATOM 1877 CG1 VAL D 70 26.320 3.752 8.419 1.00 9.34 C ATOM 1878 CG2 VAL D 70 25.545 2.559 6.357 1.00 8.95 C ATOM 0 H VAL D 70 23.303 4.099 5.811 1.00 8.63 H new ATOM 0 HA VAL D 70 23.697 2.840 8.348 1.00 9.28 H new ATOM 0 HB VAL D 70 25.483 4.666 6.689 1.00 9.37 H new ATOM 0 HG11 VAL D 70 27.335 3.746 8.021 1.00 9.34 H new ATOM 0 HG12 VAL D 70 26.175 4.643 9.030 1.00 9.34 H new ATOM 0 HG13 VAL D 70 26.165 2.863 9.031 1.00 9.34 H new ATOM 0 HG21 VAL D 70 26.571 2.567 5.990 1.00 8.95 H new ATOM 0 HG22 VAL D 70 25.366 1.639 6.914 1.00 8.95 H new ATOM 0 HG23 VAL D 70 24.857 2.612 5.513 1.00 8.95 H new ATOM 1888 N PHE D 71 23.086 6.020 8.237 1.00 12.43 N ATOM 1889 CA PHE D 71 22.844 7.210 9.043 1.00 13.88 C ATOM 1890 C PHE D 71 21.901 6.895 10.198 1.00 16.53 C ATOM 1891 O PHE D 71 22.141 7.296 11.337 1.00 17.69 O ATOM 1892 CB PHE D 71 22.257 8.328 8.180 1.00 14.35 C ATOM 1893 CG PHE D 71 22.073 9.624 8.919 1.00 13.84 C ATOM 1894 CD1 PHE D 71 21.110 9.737 9.932 1.00 14.38 C ATOM 1895 CD2 PHE D 71 22.861 10.741 8.607 1.00 13.22 C ATOM 1896 CE1 PHE D 71 20.938 10.940 10.622 1.00 13.89 C ATOM 1897 CE2 PHE D 71 22.693 11.947 9.294 1.00 12.94 C ATOM 1898 CZ PHE D 71 21.730 12.046 10.302 1.00 13.05 C ATOM 0 H PHE D 71 22.757 6.087 7.274 1.00 12.43 H new ATOM 0 HA PHE D 71 23.798 7.543 9.453 1.00 13.88 H new ATOM 0 HB2 PHE D 71 22.911 8.497 7.324 1.00 14.35 H new ATOM 0 HB3 PHE D 71 21.294 8.004 7.786 1.00 14.35 H new ATOM 0 HD1 PHE D 71 20.495 8.885 10.182 1.00 14.38 H new ATOM 0 HD2 PHE D 71 23.605 10.669 7.828 1.00 13.22 H new ATOM 0 HE1 PHE D 71 20.194 11.015 11.401 1.00 13.89 H new ATOM 0 HE2 PHE D 71 23.306 12.801 9.046 1.00 12.94 H new ATOM 0 HZ PHE D 71 21.598 12.977 10.833 1.00 13.05 H new ATOM 1908 N ASP D 72 20.827 6.171 9.897 1.00 17.73 N ATOM 1909 CA ASP D 72 19.847 5.798 10.910 1.00 20.28 C ATOM 1910 C ASP D 72 20.448 4.814 11.908 1.00 20.34 C ATOM 1911 O ASP D 72 20.273 4.958 13.118 1.00 20.43 O ATOM 1912 CB ASP D 72 18.610 5.185 10.252 1.00 21.55 C ATOM 1913 CG ASP D 72 17.352 5.983 10.531 1.00 22.89 C ATOM 1914 OD1 ASP D 72 17.304 6.670 11.573 1.00 22.71 O ATOM 1915 OD2 ASP D 72 16.414 5.920 9.709 1.00 24.27 O ATOM 0 H ASP D 72 20.614 5.831 8.959 1.00 17.73 H new ATOM 0 HA ASP D 72 19.553 6.700 11.447 1.00 20.28 H new ATOM 0 HB2 ASP D 72 18.767 5.124 9.175 1.00 21.55 H new ATOM 0 HB3 ASP D 72 18.478 4.165 10.613 1.00 21.55 H new ATOM 1920 N THR D 73 21.157 3.815 11.392 1.00 20.48 N ATOM 1921 CA THR D 73 21.786 2.807 12.239 1.00 20.78 C ATOM 1922 C THR D 73 22.591 3.462 13.358 1.00 22.51 C ATOM 1923 O THR D 73 22.384 3.172 14.536 1.00 24.25 O ATOM 1924 CB THR D 73 22.693 1.903 11.401 1.00 18.62 C ATOM 1925 OG1 THR D 73 21.932 1.153 10.471 1.00 19.26 O ATOM 1926 CG2 THR D 73 23.496 0.924 12.231 1.00 18.05 C ATOM 0 H THR D 73 21.310 3.682 10.392 1.00 20.48 H new ATOM 0 HA THR D 73 20.999 2.202 12.690 1.00 20.78 H new ATOM 0 HB THR D 73 23.384 2.577 10.895 1.00 18.62 H new ATOM 0 HG1 THR D 73 21.675 1.727 9.720 1.00 19.26 H new ATOM 0 HG21 THR D 73 24.117 0.314 11.575 1.00 18.05 H new ATOM 0 HG22 THR D 73 24.132 1.472 12.926 1.00 18.05 H new ATOM 0 HG23 THR D 73 22.818 0.280 12.791 1.00 18.05 H new ATOM 1934 N LEU D 74 23.509 4.347 12.981 1.00 22.11 N ATOM 1935 CA LEU D 74 24.343 5.044 13.954 1.00 23.79 C ATOM 1936 C LEU D 74 23.484 5.739 15.006 1.00 25.40 C ATOM 1937 O LEU D 74 23.812 5.733 16.192 1.00 27.11 O ATOM 1938 CB LEU D 74 25.239 6.066 13.253 1.00 23.73 C ATOM 1939 CG LEU D 74 26.357 5.469 12.397 1.00 22.27 C ATOM 1940 CD1 LEU D 74 27.254 6.569 11.849 1.00 22.98 C ATOM 1941 CD2 LEU D 74 27.170 4.470 13.205 1.00 22.18 C ATOM 0 H LEU D 74 23.694 4.598 12.010 1.00 22.11 H new ATOM 0 HA LEU D 74 24.971 4.305 14.452 1.00 23.79 H new ATOM 0 HB2 LEU D 74 24.616 6.699 12.620 1.00 23.73 H new ATOM 0 HB3 LEU D 74 25.686 6.712 14.008 1.00 23.73 H new ATOM 0 HG LEU D 74 25.904 4.944 11.556 1.00 22.27 H new ATOM 0 HD11 LEU D 74 28.044 6.126 11.242 1.00 22.98 H new ATOM 0 HD12 LEU D 74 26.663 7.248 11.235 1.00 22.98 H new ATOM 0 HD13 LEU D 74 27.699 7.122 12.676 1.00 22.98 H new ATOM 0 HD21 LEU D 74 27.961 4.055 12.581 1.00 22.18 H new ATOM 0 HD22 LEU D 74 27.613 4.972 14.065 1.00 22.18 H new ATOM 0 HD23 LEU D 74 26.520 3.666 13.549 1.00 22.18 H new ATOM 1953 N LYS D 75 22.382 6.337 14.563 1.00 24.98 N ATOM 1954 CA LYS D 75 21.476 7.033 15.469 1.00 26.50 C ATOM 1955 C LYS D 75 21.097 6.140 16.643 1.00 26.92 C ATOM 1956 O LYS D 75 21.141 6.561 17.799 1.00 27.92 O ATOM 1957 CB LYS D 75 20.217 7.480 14.723 1.00 26.27 C ATOM 1958 CG LYS D 75 19.569 8.721 15.314 1.00 25.89 C ATOM 1959 CD LYS D 75 19.399 9.812 14.269 1.00 24.92 C ATOM 1960 CE LYS D 75 18.642 9.304 13.053 1.00 25.29 C ATOM 1961 NZ LYS D 75 17.361 10.036 12.850 1.00 26.32 N ATOM 0 H LYS D 75 22.096 6.353 13.584 1.00 24.98 H new ATOM 0 HA LYS D 75 21.990 7.913 15.855 1.00 26.50 H new ATOM 0 HB2 LYS D 75 20.472 7.674 13.681 1.00 26.27 H new ATOM 0 HB3 LYS D 75 19.493 6.665 14.728 1.00 26.27 H new ATOM 0 HG2 LYS D 75 18.596 8.461 15.732 1.00 25.89 H new ATOM 0 HG3 LYS D 75 20.179 9.095 16.136 1.00 25.89 H new ATOM 0 HD2 LYS D 75 18.864 10.656 14.706 1.00 24.92 H new ATOM 0 HD3 LYS D 75 20.378 10.179 13.962 1.00 24.92 H new ATOM 0 HE2 LYS D 75 19.266 9.412 12.166 1.00 25.29 H new ATOM 0 HE3 LYS D 75 18.437 8.240 13.171 1.00 25.29 H new ATOM 0 HZ1 LYS D 75 16.875 9.660 12.011 1.00 26.32 H new ATOM 0 HZ2 LYS D 75 16.754 9.913 13.686 1.00 26.32 H new ATOM 0 HZ3 LYS D 75 17.558 11.048 12.711 1.00 26.32 H new ATOM 1975 N ASP D 76 20.729 4.902 16.336 1.00 26.23 N ATOM 1976 CA ASP D 76 20.348 3.942 17.361 1.00 26.67 C ATOM 1977 C ASP D 76 21.573 3.479 18.142 1.00 27.05 C ATOM 1978 O ASP D 76 21.486 3.165 19.329 1.00 28.07 O ATOM 1979 CB ASP D 76 19.644 2.739 16.731 1.00 25.36 C ATOM 1980 CG ASP D 76 18.461 2.266 17.554 1.00 26.58 C ATOM 1981 OD1 ASP D 76 17.653 3.120 17.976 1.00 27.40 O ATOM 1982 OD2 ASP D 76 18.344 1.043 17.777 1.00 26.84 O ATOM 0 H ASP D 76 20.687 4.540 15.383 1.00 26.23 H new ATOM 0 HA ASP D 76 19.659 4.432 18.049 1.00 26.67 H new ATOM 0 HB2 ASP D 76 19.304 3.004 15.730 1.00 25.36 H new ATOM 0 HB3 ASP D 76 20.356 1.921 16.620 1.00 25.36 H new ATOM 1987 N LEU D 77 22.716 3.443 17.464 1.00 26.27 N ATOM 1988 CA LEU D 77 23.965 3.025 18.085 1.00 26.56 C ATOM 1989 C LEU D 77 24.347 3.969 19.221 1.00 27.92 C ATOM 1990 O LEU D 77 24.666 3.531 20.326 1.00 28.71 O ATOM 1991 CB LEU D 77 25.082 2.984 17.041 1.00 26.03 C ATOM 1992 CG LEU D 77 25.121 1.719 16.182 1.00 26.09 C ATOM 1993 CD1 LEU D 77 26.138 1.868 15.060 1.00 23.85 C ATOM 1994 CD2 LEU D 77 25.440 0.503 17.039 1.00 27.51 C ATOM 0 H LEU D 77 22.801 3.700 16.481 1.00 26.27 H new ATOM 0 HA LEU D 77 23.825 2.026 18.499 1.00 26.56 H new ATOM 0 HB2 LEU D 77 24.976 3.847 16.384 1.00 26.03 H new ATOM 0 HB3 LEU D 77 26.039 3.087 17.552 1.00 26.03 H new ATOM 0 HG LEU D 77 24.138 1.574 15.735 1.00 26.09 H new ATOM 0 HD11 LEU D 77 26.152 0.959 14.459 1.00 23.85 H new ATOM 0 HD12 LEU D 77 25.864 2.715 14.431 1.00 23.85 H new ATOM 0 HD13 LEU D 77 27.127 2.037 15.486 1.00 23.85 H new ATOM 0 HD21 LEU D 77 25.464 -0.388 16.412 1.00 27.51 H new ATOM 0 HD22 LEU D 77 26.411 0.638 17.515 1.00 27.51 H new ATOM 0 HD23 LEU D 77 24.674 0.387 17.805 1.00 27.51 H new ATOM 2006 N TYR D 78 24.313 5.267 18.938 1.00 28.20 N ATOM 2007 CA TYR D 78 24.654 6.276 19.928 1.00 29.46 C ATOM 2008 C TYR D 78 23.484 6.525 20.875 1.00 32.44 C ATOM 2009 O TYR D 78 23.676 6.905 22.031 1.00 34.02 O ATOM 2010 CB TYR D 78 25.049 7.575 19.228 1.00 28.29 C ATOM 2011 CG TYR D 78 26.370 7.486 18.499 1.00 26.47 C ATOM 2012 CD1 TYR D 78 27.566 7.256 19.200 1.00 24.77 C ATOM 2013 CD2 TYR D 78 26.433 7.627 17.102 1.00 26.51 C ATOM 2014 CE1 TYR D 78 28.788 7.168 18.529 1.00 23.17 C ATOM 2015 CE2 TYR D 78 27.652 7.541 16.423 1.00 24.94 C ATOM 2016 CZ TYR D 78 28.826 7.311 17.141 1.00 23.28 C ATOM 2017 OH TYR D 78 30.027 7.223 16.477 1.00 21.83 O ATOM 0 H TYR D 78 24.051 5.644 18.027 1.00 28.20 H new ATOM 0 HA TYR D 78 25.497 5.913 20.516 1.00 29.46 H new ATOM 0 HB2 TYR D 78 24.268 7.848 18.518 1.00 28.29 H new ATOM 0 HB3 TYR D 78 25.103 8.375 19.966 1.00 28.29 H new ATOM 0 HD1 TYR D 78 27.540 7.146 20.274 1.00 24.77 H new ATOM 0 HD2 TYR D 78 25.525 7.805 16.544 1.00 26.51 H new ATOM 0 HE1 TYR D 78 29.699 6.990 19.081 1.00 23.17 H new ATOM 0 HE2 TYR D 78 27.685 7.652 15.349 1.00 24.94 H new ATOM 0 HH TYR D 78 29.863 7.103 15.518 1.00 21.83 H new ATOM 2027 N LYS D 79 22.273 6.308 20.375 1.00 33.31 N ATOM 2028 CA LYS D 79 21.068 6.506 21.170 1.00 36.14 C ATOM 2029 C LYS D 79 20.928 5.426 22.241 1.00 37.70 C ATOM 2030 O LYS D 79 20.211 5.606 23.225 1.00 39.38 O ATOM 2031 CB LYS D 79 19.835 6.506 20.263 1.00 36.97 C ATOM 2032 CG LYS D 79 18.527 6.708 21.010 1.00 38.40 C ATOM 2033 CD LYS D 79 17.631 7.711 20.301 1.00 40.44 C ATOM 2034 CE LYS D 79 16.392 7.042 19.726 1.00 41.37 C ATOM 2035 NZ LYS D 79 16.631 6.518 18.353 1.00 41.81 N ATOM 0 H LYS D 79 22.100 5.994 19.420 1.00 33.31 H new ATOM 0 HA LYS D 79 21.148 7.471 21.670 1.00 36.14 H new ATOM 0 HB2 LYS D 79 19.943 7.294 19.518 1.00 36.97 H new ATOM 0 HB3 LYS D 79 19.792 5.560 19.723 1.00 36.97 H new ATOM 0 HG2 LYS D 79 18.007 5.754 21.101 1.00 38.40 H new ATOM 0 HG3 LYS D 79 18.734 7.055 22.022 1.00 38.40 H new ATOM 0 HD2 LYS D 79 17.333 8.492 21.000 1.00 40.44 H new ATOM 0 HD3 LYS D 79 18.189 8.196 19.500 1.00 40.44 H new ATOM 0 HE2 LYS D 79 16.085 6.224 20.378 1.00 41.37 H new ATOM 0 HE3 LYS D 79 15.570 7.758 19.704 1.00 41.37 H new ATOM 0 HZ1 LYS D 79 15.763 6.070 17.997 1.00 41.81 H new ATOM 0 HZ2 LYS D 79 16.899 7.302 17.724 1.00 41.81 H new ATOM 0 HZ3 LYS D 79 17.398 5.816 18.378 1.00 41.81 H new