USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -4.54! K(o=-4.7!,f=-10) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -106:sc= -0.191 (180deg=-1.93!) USER MOD Set 2.1: A 29 SER OG : rot -64:sc= 0.624! USER MOD Set 2.2: A 30 HIS : no HE2:sc= -0.222 K(o=0.4,f=-11!) USER MOD Set 3.1: A 2 GLN : amide:sc= -0.598 K(o=-0.63,f=-10!) USER MOD Set 3.2: A 70 MET CE :methyl -174:sc= -0.036 (180deg=-0.0315) USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.263 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.35 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 1.1 (180deg=0.886) USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -2.57! (180deg=-4.7!) USER MOD Single : A 14 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= -2.43! (180deg=-4.34!) USER MOD Single : A 17 THR OG1 : rot 97:sc= 1.01 USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= 1.53 (180deg=-1.02) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -108:sc= 1.74 USER MOD Single : A 31 TYR OH : rot -30:sc= 0.78 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.2! C(o=-3.2!,f=-12!) USER MOD Single : A 35 THR OG1 : rot -97:sc= 0.912! USER MOD Single : A 40 ASN : amide:sc= 0.0995 X(o=0.099,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -98:sc= -3! (180deg=-5.55!) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -2.1! (180deg=-2.41!) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.134 (180deg=-0.878) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.581 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= -0.209! (180deg=-7.26!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 79:sc= -1.84! USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= -1.03 (180deg=-1.22) USER MOD Single : A 81 LYS NZ :NH3+ -111:sc= 1.94 (180deg=0.186) USER MOD Single : A 82 LYS NZ :NH3+ -153:sc= -2.15! (180deg=-3.27!) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= 0.525 (180deg=-1.5!) USER MOD Single : A 84 TYR OH : rot 165:sc= 1.81 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.058 2.703 -9.393 1.00 3.80 N ATOM 2 CA SER A 1 3.822 2.440 -8.122 1.00 2.48 C ATOM 3 C SER A 1 4.170 3.800 -7.507 1.00 2.12 C ATOM 4 O SER A 1 3.895 4.785 -8.163 1.00 2.67 O ATOM 5 CB SER A 1 5.129 1.662 -8.394 1.00 2.86 C ATOM 6 OG SER A 1 5.697 1.585 -7.093 1.00 1.84 O ATOM 0 H1 SER A 1 2.097 2.315 -9.307 1.00 3.80 H new ATOM 0 H2 SER A 1 3.003 3.728 -9.559 1.00 3.80 H new ATOM 0 H3 SER A 1 3.545 2.248 -10.191 1.00 3.80 H new ATOM 0 HA SER A 1 3.210 1.836 -7.453 1.00 2.48 H new ATOM 0 HB2 SER A 1 4.937 0.675 -8.816 1.00 2.86 H new ATOM 0 HB3 SER A 1 5.779 2.187 -9.094 1.00 2.86 H new ATOM 0 HG SER A 1 6.548 1.101 -7.136 1.00 1.84 H new ATOM 14 N GLN A 2 4.732 3.828 -6.325 1.00 1.56 N ATOM 15 CA GLN A 2 5.099 5.131 -5.663 1.00 1.18 C ATOM 16 C GLN A 2 6.173 4.978 -4.540 1.00 1.04 C ATOM 17 O GLN A 2 6.316 3.919 -3.959 1.00 1.23 O ATOM 18 CB GLN A 2 3.770 5.783 -5.138 1.00 1.40 C ATOM 19 CG GLN A 2 4.021 7.105 -4.309 1.00 0.98 C ATOM 20 CD GLN A 2 4.805 8.172 -5.082 1.00 0.25 C ATOM 21 OE1 GLN A 2 5.709 7.887 -5.827 1.00 1.36 O ATOM 22 NE2 GLN A 2 4.564 9.431 -4.984 1.00 0.23 N ATOM 0 H GLN A 2 4.957 2.997 -5.779 1.00 1.56 H new ATOM 0 HA GLN A 2 5.577 5.783 -6.394 1.00 1.18 H new ATOM 0 HB2 GLN A 2 3.122 6.009 -5.985 1.00 1.40 H new ATOM 0 HB3 GLN A 2 3.240 5.064 -4.514 1.00 1.40 H new ATOM 0 HG2 GLN A 2 3.061 7.521 -4.004 1.00 0.98 H new ATOM 0 HG3 GLN A 2 4.564 6.855 -3.398 1.00 0.98 H new ATOM 0 HE21 GLN A 2 3.815 9.761 -4.375 1.00 0.23 H new ATOM 0 HE22 GLN A 2 5.121 10.100 -5.515 1.00 0.23 H new ATOM 31 N ALA A 3 6.884 6.048 -4.289 1.00 0.93 N ATOM 32 CA ALA A 3 7.964 6.126 -3.251 1.00 0.91 C ATOM 33 C ALA A 3 7.402 6.782 -1.958 1.00 0.88 C ATOM 34 O ALA A 3 6.200 6.832 -1.790 1.00 0.99 O ATOM 35 CB ALA A 3 9.073 6.986 -3.901 1.00 1.27 C ATOM 0 H ALA A 3 6.751 6.925 -4.793 1.00 0.93 H new ATOM 0 HA ALA A 3 8.348 5.150 -2.955 1.00 0.91 H new ATOM 0 HB1 ALA A 3 9.905 7.093 -3.205 1.00 1.27 H new ATOM 0 HB2 ALA A 3 9.422 6.501 -4.812 1.00 1.27 H new ATOM 0 HB3 ALA A 3 8.674 7.971 -4.144 1.00 1.27 H new ATOM 41 N GLU A 4 8.228 7.284 -1.070 1.00 0.77 N ATOM 42 CA GLU A 4 7.670 7.913 0.182 1.00 0.85 C ATOM 43 C GLU A 4 7.673 9.429 0.001 1.00 0.77 C ATOM 44 O GLU A 4 7.313 10.224 0.840 1.00 0.91 O ATOM 45 CB GLU A 4 8.501 7.458 1.358 1.00 0.88 C ATOM 46 CG GLU A 4 9.967 7.850 1.158 1.00 0.75 C ATOM 47 CD GLU A 4 10.867 6.982 2.045 1.00 0.32 C ATOM 48 OE1 GLU A 4 10.705 7.115 3.248 1.00 1.45 O ATOM 49 OE2 GLU A 4 11.636 6.262 1.424 1.00 0.85 O ATOM 0 H GLU A 4 9.245 7.289 -1.150 1.00 0.77 H new ATOM 0 HA GLU A 4 6.641 7.607 0.372 1.00 0.85 H new ATOM 0 HB2 GLU A 4 8.120 7.906 2.276 1.00 0.88 H new ATOM 0 HB3 GLU A 4 8.419 6.377 1.473 1.00 0.88 H new ATOM 0 HG2 GLU A 4 10.246 7.726 0.111 1.00 0.75 H new ATOM 0 HG3 GLU A 4 10.107 8.903 1.403 1.00 0.75 H new ATOM 56 N PHE A 5 8.120 9.795 -1.150 1.00 0.58 N ATOM 57 CA PHE A 5 8.218 11.196 -1.576 1.00 0.51 C ATOM 58 C PHE A 5 7.079 12.101 -1.042 1.00 0.51 C ATOM 59 O PHE A 5 7.353 13.134 -0.485 1.00 0.46 O ATOM 60 CB PHE A 5 8.125 11.006 -3.036 1.00 0.54 C ATOM 61 CG PHE A 5 7.966 12.319 -3.739 1.00 0.47 C ATOM 62 CD1 PHE A 5 9.042 13.129 -4.013 1.00 0.83 C ATOM 63 CD2 PHE A 5 6.702 12.685 -4.104 1.00 1.17 C ATOM 64 CE1 PHE A 5 8.861 14.324 -4.666 1.00 0.90 C ATOM 65 CE2 PHE A 5 6.491 13.854 -4.745 1.00 1.12 C ATOM 66 CZ PHE A 5 7.560 14.670 -5.030 1.00 0.42 C ATOM 0 H PHE A 5 8.441 9.133 -1.856 1.00 0.58 H new ATOM 0 HA PHE A 5 9.107 11.710 -1.211 1.00 0.51 H new ATOM 0 HB2 PHE A 5 9.021 10.501 -3.398 1.00 0.54 H new ATOM 0 HB3 PHE A 5 7.279 10.360 -3.269 1.00 0.54 H new ATOM 0 HD1 PHE A 5 10.034 12.825 -3.714 1.00 0.83 H new ATOM 0 HD2 PHE A 5 5.868 12.037 -3.879 1.00 1.17 H new ATOM 0 HE1 PHE A 5 9.696 14.972 -4.889 1.00 0.90 H new ATOM 0 HE2 PHE A 5 5.491 14.146 -5.031 1.00 1.12 H new ATOM 0 HZ PHE A 5 7.388 15.602 -5.548 1.00 0.42 H new ATOM 76 N ASP A 6 5.847 11.717 -1.212 1.00 0.57 N ATOM 77 CA ASP A 6 4.746 12.552 -0.714 1.00 0.56 C ATOM 78 C ASP A 6 4.872 12.651 0.804 1.00 0.51 C ATOM 79 O ASP A 6 4.635 13.660 1.434 1.00 0.47 O ATOM 80 CB ASP A 6 3.517 12.012 -1.346 1.00 0.59 C ATOM 81 CG ASP A 6 3.501 12.447 -2.816 1.00 0.44 C ATOM 82 OD1 ASP A 6 3.490 13.653 -3.025 1.00 1.08 O ATOM 83 OD2 ASP A 6 3.509 11.546 -3.635 1.00 0.78 O ATOM 0 H ASP A 6 5.564 10.855 -1.678 1.00 0.57 H new ATOM 0 HA ASP A 6 4.741 13.606 -0.993 1.00 0.56 H new ATOM 0 HB2 ASP A 6 3.498 10.925 -1.272 1.00 0.59 H new ATOM 0 HB3 ASP A 6 2.631 12.382 -0.831 1.00 0.59 H new ATOM 88 N LYS A 7 5.284 11.568 1.387 1.00 0.57 N ATOM 89 CA LYS A 7 5.445 11.589 2.870 1.00 0.57 C ATOM 90 C LYS A 7 6.462 12.675 3.172 1.00 0.55 C ATOM 91 O LYS A 7 6.280 13.521 4.030 1.00 0.55 O ATOM 92 CB LYS A 7 6.016 10.294 3.412 1.00 0.55 C ATOM 93 CG LYS A 7 6.245 10.329 4.961 1.00 0.56 C ATOM 94 CD LYS A 7 4.964 10.586 5.819 1.00 1.62 C ATOM 95 CE LYS A 7 4.683 12.093 6.028 1.00 2.74 C ATOM 96 NZ LYS A 7 4.006 12.185 7.359 1.00 3.14 N ATOM 0 H LYS A 7 5.512 10.689 0.922 1.00 0.57 H new ATOM 0 HA LYS A 7 4.468 11.749 3.325 1.00 0.57 H new ATOM 0 HB2 LYS A 7 5.340 9.475 3.168 1.00 0.55 H new ATOM 0 HB3 LYS A 7 6.963 10.084 2.915 1.00 0.55 H new ATOM 0 HG2 LYS A 7 6.684 9.380 5.268 1.00 0.56 H new ATOM 0 HG3 LYS A 7 6.975 11.106 5.186 1.00 0.56 H new ATOM 0 HD2 LYS A 7 4.106 10.124 5.332 1.00 1.62 H new ATOM 0 HD3 LYS A 7 5.078 10.103 6.789 1.00 1.62 H new ATOM 0 HE2 LYS A 7 5.607 12.671 6.015 1.00 2.74 H new ATOM 0 HE3 LYS A 7 4.048 12.489 5.235 1.00 2.74 H new ATOM 0 HZ1 LYS A 7 3.679 13.160 7.516 1.00 3.14 H new ATOM 0 HZ2 LYS A 7 3.191 11.539 7.379 1.00 3.14 H new ATOM 0 HZ3 LYS A 7 4.677 11.920 8.109 1.00 3.14 H new ATOM 110 N ALA A 8 7.513 12.572 2.405 1.00 0.52 N ATOM 111 CA ALA A 8 8.622 13.557 2.557 1.00 0.47 C ATOM 112 C ALA A 8 7.992 14.939 2.429 1.00 0.44 C ATOM 113 O ALA A 8 8.100 15.753 3.313 1.00 0.43 O ATOM 114 CB ALA A 8 9.726 13.248 1.550 1.00 0.39 C ATOM 0 H ALA A 8 7.652 11.859 1.689 1.00 0.52 H new ATOM 0 HA ALA A 8 9.119 13.507 3.526 1.00 0.47 H new ATOM 0 HB1 ALA A 8 10.535 13.970 1.664 1.00 0.39 H new ATOM 0 HB2 ALA A 8 10.109 12.243 1.727 1.00 0.39 H new ATOM 0 HB3 ALA A 8 9.324 13.310 0.539 1.00 0.39 H new ATOM 120 N ALA A 9 7.349 15.134 1.328 1.00 0.43 N ATOM 121 CA ALA A 9 6.654 16.407 1.010 1.00 0.42 C ATOM 122 C ALA A 9 5.862 16.896 2.208 1.00 0.48 C ATOM 123 O ALA A 9 5.878 18.067 2.541 1.00 0.64 O ATOM 124 CB ALA A 9 5.694 16.098 -0.149 1.00 0.46 C ATOM 0 H ALA A 9 7.270 14.429 0.595 1.00 0.43 H new ATOM 0 HA ALA A 9 7.371 17.185 0.747 1.00 0.42 H new ATOM 0 HB1 ALA A 9 5.154 17.004 -0.425 1.00 0.46 H new ATOM 0 HB2 ALA A 9 6.263 15.739 -1.007 1.00 0.46 H new ATOM 0 HB3 ALA A 9 4.983 15.332 0.162 1.00 0.46 H new ATOM 130 N GLU A 10 5.167 16.000 2.834 1.00 0.46 N ATOM 131 CA GLU A 10 4.380 16.424 4.012 1.00 0.72 C ATOM 132 C GLU A 10 5.228 16.758 5.201 1.00 0.58 C ATOM 133 O GLU A 10 5.058 17.816 5.764 1.00 0.82 O ATOM 134 CB GLU A 10 3.349 15.342 4.339 1.00 1.08 C ATOM 135 CG GLU A 10 2.411 15.115 3.096 1.00 1.82 C ATOM 136 CD GLU A 10 2.205 16.427 2.346 1.00 4.07 C ATOM 137 OE1 GLU A 10 1.704 17.361 2.952 1.00 4.85 O ATOM 138 OE2 GLU A 10 2.575 16.469 1.189 1.00 5.28 O ATOM 0 H GLU A 10 5.109 15.012 2.588 1.00 0.46 H new ATOM 0 HA GLU A 10 3.869 17.353 3.758 1.00 0.72 H new ATOM 0 HB2 GLU A 10 3.853 14.412 4.602 1.00 1.08 H new ATOM 0 HB3 GLU A 10 2.757 15.639 5.205 1.00 1.08 H new ATOM 0 HG2 GLU A 10 2.850 14.372 2.430 1.00 1.82 H new ATOM 0 HG3 GLU A 10 1.449 14.720 3.424 1.00 1.82 H new ATOM 145 N GLU A 11 6.127 15.898 5.551 1.00 0.33 N ATOM 146 CA GLU A 11 6.982 16.159 6.724 1.00 0.28 C ATOM 147 C GLU A 11 7.853 17.371 6.572 1.00 0.20 C ATOM 148 O GLU A 11 8.051 18.149 7.486 1.00 0.44 O ATOM 149 CB GLU A 11 7.691 14.883 7.050 1.00 0.48 C ATOM 150 CG GLU A 11 6.815 14.064 8.049 1.00 1.07 C ATOM 151 CD GLU A 11 7.303 12.621 8.249 1.00 1.26 C ATOM 152 OE1 GLU A 11 8.498 12.352 8.153 1.00 0.26 O ATOM 153 OE2 GLU A 11 6.375 11.865 8.504 1.00 2.68 O ATOM 0 H GLU A 11 6.308 15.017 5.070 1.00 0.33 H new ATOM 0 HA GLU A 11 6.378 16.441 7.587 1.00 0.28 H new ATOM 0 HB2 GLU A 11 7.868 14.306 6.142 1.00 0.48 H new ATOM 0 HB3 GLU A 11 8.666 15.094 7.488 1.00 0.48 H new ATOM 0 HG2 GLU A 11 6.805 14.573 9.013 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.787 14.045 7.688 1.00 1.07 H new ATOM 160 N VAL A 12 8.354 17.522 5.391 1.00 0.16 N ATOM 161 CA VAL A 12 9.224 18.661 5.107 1.00 0.10 C ATOM 162 C VAL A 12 8.480 19.961 5.426 1.00 0.31 C ATOM 163 O VAL A 12 9.005 20.859 6.051 1.00 0.45 O ATOM 164 CB VAL A 12 9.684 18.477 3.669 1.00 0.18 C ATOM 165 CG1 VAL A 12 8.931 19.282 2.651 1.00 0.29 C ATOM 166 CG2 VAL A 12 11.146 18.689 3.597 1.00 0.25 C ATOM 0 H VAL A 12 8.192 16.893 4.605 1.00 0.16 H new ATOM 0 HA VAL A 12 10.117 18.720 5.729 1.00 0.10 H new ATOM 0 HB VAL A 12 9.448 17.450 3.389 1.00 0.18 H new ATOM 0 HG11 VAL A 12 9.334 19.081 1.658 1.00 0.29 H new ATOM 0 HG12 VAL A 12 7.877 19.007 2.677 1.00 0.29 H new ATOM 0 HG13 VAL A 12 9.035 20.343 2.877 1.00 0.29 H new ATOM 0 HG21 VAL A 12 11.482 18.558 2.568 1.00 0.25 H new ATOM 0 HG22 VAL A 12 11.384 19.699 3.931 1.00 0.25 H new ATOM 0 HG23 VAL A 12 11.650 17.966 4.238 1.00 0.25 H new ATOM 176 N LYS A 13 7.247 20.024 4.986 1.00 0.44 N ATOM 177 CA LYS A 13 6.428 21.240 5.247 1.00 0.71 C ATOM 178 C LYS A 13 5.905 21.312 6.719 1.00 0.59 C ATOM 179 O LYS A 13 5.041 22.106 7.026 1.00 0.64 O ATOM 180 CB LYS A 13 5.296 21.439 4.172 1.00 1.11 C ATOM 181 CG LYS A 13 4.115 20.447 4.316 1.00 1.64 C ATOM 182 CD LYS A 13 2.987 20.805 3.265 1.00 1.51 C ATOM 183 CE LYS A 13 3.351 20.361 1.837 1.00 0.71 C ATOM 184 NZ LYS A 13 3.419 18.882 1.899 1.00 0.74 N ATOM 0 H LYS A 13 6.777 19.287 4.460 1.00 0.44 H new ATOM 0 HA LYS A 13 7.096 22.094 5.137 1.00 0.71 H new ATOM 0 HB2 LYS A 13 4.914 22.457 4.245 1.00 1.11 H new ATOM 0 HB3 LYS A 13 5.729 21.331 3.178 1.00 1.11 H new ATOM 0 HG2 LYS A 13 4.463 19.426 4.157 1.00 1.64 H new ATOM 0 HG3 LYS A 13 3.711 20.492 5.327 1.00 1.64 H new ATOM 0 HD2 LYS A 13 2.053 20.329 3.563 1.00 1.51 H new ATOM 0 HD3 LYS A 13 2.814 21.881 3.275 1.00 1.51 H new ATOM 0 HE2 LYS A 13 2.601 20.692 1.118 1.00 0.71 H new ATOM 0 HE3 LYS A 13 4.304 20.787 1.522 1.00 0.71 H new ATOM 0 HZ1 LYS A 13 3.107 18.482 0.991 1.00 0.74 H new ATOM 0 HZ2 LYS A 13 4.398 18.587 2.090 1.00 0.74 H new ATOM 0 HZ3 LYS A 13 2.799 18.538 2.660 1.00 0.74 H new ATOM 198 N HIS A 14 6.444 20.474 7.574 1.00 0.59 N ATOM 199 CA HIS A 14 6.075 20.414 9.035 1.00 0.64 C ATOM 200 C HIS A 14 7.304 20.651 9.889 1.00 0.73 C ATOM 201 O HIS A 14 7.196 21.246 10.943 1.00 0.93 O ATOM 202 CB HIS A 14 5.606 19.031 9.535 1.00 0.58 C ATOM 203 CG HIS A 14 4.152 18.782 9.163 1.00 0.26 C ATOM 204 ND1 HIS A 14 3.763 18.434 7.996 1.00 0.95 N ATOM 205 CD2 HIS A 14 2.984 18.861 9.895 1.00 0.54 C ATOM 206 CE1 HIS A 14 2.477 18.300 7.964 1.00 1.52 C ATOM 207 NE2 HIS A 14 1.950 18.558 9.135 1.00 1.23 N ATOM 0 H HIS A 14 7.159 19.796 7.309 1.00 0.59 H new ATOM 0 HA HIS A 14 5.280 21.154 9.121 1.00 0.64 H new ATOM 0 HB2 HIS A 14 6.234 18.252 9.103 1.00 0.58 H new ATOM 0 HB3 HIS A 14 5.724 18.972 10.617 1.00 0.58 H new ATOM 0 HD1 HIS A 14 4.382 18.283 7.199 1.00 0.95 H new ATOM 0 HD2 HIS A 14 2.926 19.132 10.939 1.00 0.54 H new ATOM 0 HE1 HIS A 14 1.913 18.014 7.089 1.00 1.52 H new ATOM 215 N LEU A 15 8.424 20.153 9.421 1.00 0.64 N ATOM 216 CA LEU A 15 9.693 20.309 10.154 1.00 0.74 C ATOM 217 C LEU A 15 9.803 21.405 11.181 1.00 0.88 C ATOM 218 O LEU A 15 9.568 22.565 10.932 1.00 0.82 O ATOM 219 CB LEU A 15 10.780 20.548 9.156 1.00 0.67 C ATOM 220 CG LEU A 15 10.830 19.399 8.174 1.00 0.54 C ATOM 221 CD1 LEU A 15 11.960 19.708 7.300 1.00 0.57 C ATOM 222 CD2 LEU A 15 10.986 18.031 8.840 1.00 0.60 C ATOM 0 H LEU A 15 8.500 19.637 8.544 1.00 0.64 H new ATOM 0 HA LEU A 15 9.765 19.384 10.726 1.00 0.74 H new ATOM 0 HB2 LEU A 15 10.602 21.484 8.627 1.00 0.67 H new ATOM 0 HB3 LEU A 15 11.739 20.647 9.665 1.00 0.67 H new ATOM 0 HG LEU A 15 9.889 19.313 7.630 1.00 0.54 H new ATOM 0 HD11 LEU A 15 12.068 18.921 6.554 1.00 0.57 H new ATOM 0 HD12 LEU A 15 11.784 20.660 6.800 1.00 0.57 H new ATOM 0 HD13 LEU A 15 12.872 19.773 7.894 1.00 0.57 H new ATOM 0 HD21 LEU A 15 11.014 17.255 8.075 1.00 0.60 H new ATOM 0 HD22 LEU A 15 11.913 18.009 9.414 1.00 0.60 H new ATOM 0 HD23 LEU A 15 10.142 17.853 9.507 1.00 0.60 H new ATOM 234 N LYS A 16 10.166 20.952 12.330 1.00 1.05 N ATOM 235 CA LYS A 16 10.357 21.870 13.517 1.00 1.17 C ATOM 236 C LYS A 16 10.861 23.295 13.196 1.00 1.06 C ATOM 237 O LYS A 16 10.443 24.264 13.797 1.00 1.07 O ATOM 238 CB LYS A 16 11.302 21.188 14.531 1.00 1.27 C ATOM 239 CG LYS A 16 10.599 19.963 15.129 1.00 1.86 C ATOM 240 CD LYS A 16 9.448 20.435 16.077 1.00 1.47 C ATOM 241 CE LYS A 16 8.612 19.248 16.494 1.00 2.61 C ATOM 242 NZ LYS A 16 7.922 18.715 15.287 1.00 2.99 N ATOM 0 H LYS A 16 10.348 19.967 12.524 1.00 1.05 H new ATOM 0 HA LYS A 16 9.360 22.025 13.930 1.00 1.17 H new ATOM 0 HB2 LYS A 16 12.227 20.887 14.039 1.00 1.27 H new ATOM 0 HB3 LYS A 16 11.574 21.888 15.321 1.00 1.27 H new ATOM 0 HG2 LYS A 16 10.196 19.337 14.333 1.00 1.86 H new ATOM 0 HG3 LYS A 16 11.314 19.354 15.682 1.00 1.86 H new ATOM 0 HD2 LYS A 16 9.866 20.924 16.957 1.00 1.47 H new ATOM 0 HD3 LYS A 16 8.824 21.171 15.569 1.00 1.47 H new ATOM 0 HE2 LYS A 16 9.241 18.479 16.942 1.00 2.61 H new ATOM 0 HE3 LYS A 16 7.883 19.543 17.249 1.00 2.61 H new ATOM 0 HZ1 LYS A 16 6.901 18.897 15.362 1.00 2.99 H new ATOM 0 HZ2 LYS A 16 8.296 19.184 14.438 1.00 2.99 H new ATOM 0 HZ3 LYS A 16 8.086 17.690 15.217 1.00 2.99 H new ATOM 256 N THR A 17 11.749 23.353 12.249 1.00 0.96 N ATOM 257 CA THR A 17 12.361 24.660 11.794 1.00 0.85 C ATOM 258 C THR A 17 11.874 25.007 10.388 1.00 0.69 C ATOM 259 O THR A 17 11.226 24.221 9.731 1.00 0.56 O ATOM 260 CB THR A 17 13.889 24.448 11.648 1.00 0.91 C ATOM 261 OG1 THR A 17 14.332 24.087 12.943 1.00 1.03 O ATOM 262 CG2 THR A 17 14.737 25.703 11.367 1.00 0.95 C ATOM 0 H THR A 17 12.095 22.534 11.749 1.00 0.96 H new ATOM 0 HA THR A 17 12.097 25.437 12.511 1.00 0.85 H new ATOM 0 HB THR A 17 14.012 23.750 10.820 1.00 0.91 H new ATOM 0 HG1 THR A 17 14.402 23.111 13.005 1.00 1.03 H new ATOM 0 HG21 THR A 17 15.787 25.422 11.286 1.00 0.95 H new ATOM 0 HG22 THR A 17 14.411 26.161 10.433 1.00 0.95 H new ATOM 0 HG23 THR A 17 14.614 26.416 12.183 1.00 0.95 H new ATOM 270 N LYS A 18 12.202 26.182 9.948 1.00 0.70 N ATOM 271 CA LYS A 18 11.784 26.618 8.581 1.00 0.57 C ATOM 272 C LYS A 18 13.039 26.388 7.699 1.00 0.64 C ATOM 273 O LYS A 18 13.774 27.341 7.516 1.00 0.51 O ATOM 274 CB LYS A 18 11.408 28.121 8.642 1.00 0.60 C ATOM 275 CG LYS A 18 10.827 28.554 7.260 1.00 1.25 C ATOM 276 CD LYS A 18 11.270 30.006 6.913 1.00 2.09 C ATOM 277 CE LYS A 18 12.741 30.019 6.452 1.00 3.52 C ATOM 278 NZ LYS A 18 12.816 29.282 5.151 1.00 4.30 N ATOM 0 H LYS A 18 12.744 26.868 10.473 1.00 0.70 H new ATOM 0 HA LYS A 18 10.922 26.079 8.188 1.00 0.57 H new ATOM 0 HB2 LYS A 18 10.675 28.294 9.430 1.00 0.60 H new ATOM 0 HB3 LYS A 18 12.286 28.719 8.886 1.00 0.60 H new ATOM 0 HG2 LYS A 18 11.168 27.868 6.484 1.00 1.25 H new ATOM 0 HG3 LYS A 18 9.739 28.495 7.282 1.00 1.25 H new ATOM 0 HD2 LYS A 18 10.632 30.411 6.128 1.00 2.09 H new ATOM 0 HD3 LYS A 18 11.149 30.649 7.785 1.00 2.09 H new ATOM 0 HE2 LYS A 18 13.096 31.043 6.333 1.00 3.52 H new ATOM 0 HE3 LYS A 18 13.380 29.545 7.197 1.00 3.52 H new ATOM 0 HZ1 LYS A 18 13.609 28.609 5.178 1.00 4.30 H new ATOM 0 HZ2 LYS A 18 11.928 28.765 4.993 1.00 4.30 H new ATOM 0 HZ3 LYS A 18 12.964 29.960 4.376 1.00 4.30 H new ATOM 292 N PRO A 19 13.299 25.191 7.187 1.00 0.91 N ATOM 293 CA PRO A 19 14.499 24.933 6.335 1.00 1.00 C ATOM 294 C PRO A 19 15.045 26.104 5.493 1.00 1.10 C ATOM 295 O PRO A 19 14.284 26.948 5.065 1.00 1.11 O ATOM 296 CB PRO A 19 13.990 23.874 5.380 1.00 0.94 C ATOM 297 CG PRO A 19 13.042 23.006 6.236 1.00 0.94 C ATOM 298 CD PRO A 19 12.482 23.947 7.335 1.00 1.20 C ATOM 0 HA PRO A 19 15.339 24.684 6.984 1.00 1.00 H new ATOM 0 HB2 PRO A 19 13.465 24.320 4.535 1.00 0.94 H new ATOM 0 HB3 PRO A 19 14.809 23.282 4.970 1.00 0.94 H new ATOM 0 HG2 PRO A 19 12.237 22.591 5.629 1.00 0.94 H new ATOM 0 HG3 PRO A 19 13.575 22.164 6.677 1.00 0.94 H new ATOM 0 HD2 PRO A 19 11.420 24.146 7.189 1.00 1.20 H new ATOM 0 HD3 PRO A 19 12.591 23.512 8.328 1.00 1.20 H new ATOM 306 N ALA A 20 16.327 26.178 5.249 1.00 1.13 N ATOM 307 CA ALA A 20 16.832 27.320 4.413 1.00 1.15 C ATOM 308 C ALA A 20 16.061 27.285 3.080 1.00 0.88 C ATOM 309 O ALA A 20 15.869 26.213 2.523 1.00 0.92 O ATOM 310 CB ALA A 20 18.324 27.086 4.106 1.00 1.24 C ATOM 0 H ALA A 20 17.033 25.520 5.579 1.00 1.13 H new ATOM 0 HA ALA A 20 16.698 28.270 4.930 1.00 1.15 H new ATOM 0 HB1 ALA A 20 18.704 27.908 3.499 1.00 1.24 H new ATOM 0 HB2 ALA A 20 18.884 27.035 5.040 1.00 1.24 H new ATOM 0 HB3 ALA A 20 18.441 26.149 3.561 1.00 1.24 H new ATOM 316 N ASP A 21 15.627 28.416 2.596 1.00 0.74 N ATOM 317 CA ASP A 21 14.889 28.383 1.310 1.00 0.75 C ATOM 318 C ASP A 21 15.525 27.434 0.281 1.00 0.45 C ATOM 319 O ASP A 21 14.856 26.533 -0.162 1.00 0.46 O ATOM 320 CB ASP A 21 14.658 29.809 0.835 1.00 0.90 C ATOM 321 CG ASP A 21 13.496 30.353 1.642 1.00 1.97 C ATOM 322 OD1 ASP A 21 13.674 30.700 2.803 1.00 3.08 O ATOM 323 OD2 ASP A 21 12.425 30.406 1.078 1.00 2.17 O ATOM 0 H ASP A 21 15.748 29.335 3.023 1.00 0.74 H new ATOM 0 HA ASP A 21 13.905 27.939 1.458 1.00 0.75 H new ATOM 0 HB2 ASP A 21 15.551 30.416 0.984 1.00 0.90 H new ATOM 0 HB3 ASP A 21 14.433 29.830 -0.231 1.00 0.90 H new ATOM 328 N GLU A 22 16.764 27.608 -0.074 1.00 0.23 N ATOM 329 CA GLU A 22 17.377 26.677 -1.086 1.00 0.25 C ATOM 330 C GLU A 22 17.018 25.158 -0.894 1.00 0.46 C ATOM 331 O GLU A 22 16.868 24.429 -1.860 1.00 0.56 O ATOM 332 CB GLU A 22 18.892 26.948 -1.084 1.00 0.41 C ATOM 333 CG GLU A 22 19.162 28.399 -1.621 1.00 0.43 C ATOM 334 CD GLU A 22 20.655 28.756 -1.573 1.00 0.62 C ATOM 335 OE1 GLU A 22 21.066 29.264 -0.546 1.00 1.36 O ATOM 336 OE2 GLU A 22 21.307 28.497 -2.568 1.00 1.36 O ATOM 0 H GLU A 22 17.380 28.340 0.280 1.00 0.23 H new ATOM 0 HA GLU A 22 16.947 26.888 -2.065 1.00 0.25 H new ATOM 0 HB2 GLU A 22 19.290 26.842 -0.075 1.00 0.41 H new ATOM 0 HB3 GLU A 22 19.405 26.216 -1.708 1.00 0.41 H new ATOM 0 HG2 GLU A 22 18.802 28.480 -2.647 1.00 0.43 H new ATOM 0 HG3 GLU A 22 18.597 29.117 -1.027 1.00 0.43 H new ATOM 343 N GLU A 23 16.871 24.714 0.335 1.00 0.56 N ATOM 344 CA GLU A 23 16.529 23.298 0.633 1.00 0.70 C ATOM 345 C GLU A 23 15.015 23.172 0.284 1.00 0.47 C ATOM 346 O GLU A 23 14.582 22.294 -0.440 1.00 0.58 O ATOM 347 CB GLU A 23 16.972 23.147 2.122 1.00 0.87 C ATOM 348 CG GLU A 23 18.540 23.451 2.187 1.00 1.06 C ATOM 349 CD GLU A 23 19.255 22.921 3.442 1.00 1.24 C ATOM 350 OE1 GLU A 23 19.460 21.727 3.494 1.00 2.29 O ATOM 351 OE2 GLU A 23 19.610 23.663 4.340 1.00 0.74 O ATOM 0 H GLU A 23 16.979 25.299 1.163 1.00 0.56 H new ATOM 0 HA GLU A 23 17.007 22.489 0.080 1.00 0.70 H new ATOM 0 HB2 GLU A 23 16.420 23.839 2.759 1.00 0.87 H new ATOM 0 HB3 GLU A 23 16.761 22.141 2.485 1.00 0.87 H new ATOM 0 HG2 GLU A 23 19.015 23.018 1.307 1.00 1.06 H new ATOM 0 HG3 GLU A 23 18.688 24.529 2.131 1.00 1.06 H new ATOM 358 N MET A 24 14.243 24.080 0.827 1.00 0.27 N ATOM 359 CA MET A 24 12.752 24.116 0.572 1.00 0.26 C ATOM 360 C MET A 24 12.603 24.053 -0.974 1.00 0.40 C ATOM 361 O MET A 24 11.769 23.379 -1.535 1.00 0.54 O ATOM 362 CB MET A 24 12.233 25.452 1.150 1.00 0.41 C ATOM 363 CG MET A 24 12.502 25.492 2.660 1.00 0.96 C ATOM 364 SD MET A 24 11.821 26.875 3.611 1.00 1.72 S ATOM 365 CE MET A 24 10.362 26.037 4.279 1.00 1.87 C ATOM 0 H MET A 24 14.581 24.815 1.449 1.00 0.27 H new ATOM 0 HA MET A 24 12.189 23.303 1.031 1.00 0.26 H new ATOM 0 HB2 MET A 24 12.728 26.290 0.659 1.00 0.41 H new ATOM 0 HB3 MET A 24 11.165 25.554 0.957 1.00 0.41 H new ATOM 0 HG2 MET A 24 12.117 24.568 3.092 1.00 0.96 H new ATOM 0 HG3 MET A 24 13.582 25.486 2.807 1.00 0.96 H new ATOM 0 HE1 MET A 24 9.798 26.730 4.903 1.00 1.87 H new ATOM 0 HE2 MET A 24 9.732 25.693 3.458 1.00 1.87 H new ATOM 0 HE3 MET A 24 10.676 25.182 4.878 1.00 1.87 H new ATOM 375 N LEU A 25 13.460 24.802 -1.612 1.00 0.37 N ATOM 376 CA LEU A 25 13.572 24.929 -3.072 1.00 0.45 C ATOM 377 C LEU A 25 13.893 23.564 -3.627 1.00 0.37 C ATOM 378 O LEU A 25 13.209 23.133 -4.514 1.00 0.40 O ATOM 379 CB LEU A 25 14.618 25.933 -3.292 1.00 0.57 C ATOM 380 CG LEU A 25 14.059 27.376 -3.127 1.00 0.75 C ATOM 381 CD1 LEU A 25 14.513 27.996 -4.351 1.00 0.72 C ATOM 382 CD2 LEU A 25 12.529 27.567 -3.145 1.00 0.81 C ATOM 0 H LEU A 25 14.142 25.377 -1.118 1.00 0.37 H new ATOM 0 HA LEU A 25 12.665 25.257 -3.579 1.00 0.45 H new ATOM 0 HB2 LEU A 25 15.433 25.773 -2.586 1.00 0.57 H new ATOM 0 HB3 LEU A 25 15.035 25.814 -4.292 1.00 0.57 H new ATOM 0 HG LEU A 25 14.380 27.753 -2.156 1.00 0.75 H new ATOM 0 HD11 LEU A 25 14.187 29.036 -4.375 1.00 0.72 H new ATOM 0 HD12 LEU A 25 15.601 27.956 -4.397 1.00 0.72 H new ATOM 0 HD13 LEU A 25 14.094 27.464 -5.205 1.00 0.72 H new ATOM 0 HD21 LEU A 25 12.293 28.624 -3.019 1.00 0.81 H new ATOM 0 HD22 LEU A 25 12.130 27.217 -4.097 1.00 0.81 H new ATOM 0 HD23 LEU A 25 12.081 26.996 -2.332 1.00 0.81 H new ATOM 394 N PHE A 26 14.910 22.952 -3.096 1.00 0.29 N ATOM 395 CA PHE A 26 15.363 21.573 -3.516 1.00 0.22 C ATOM 396 C PHE A 26 14.108 20.685 -3.581 1.00 0.16 C ATOM 397 O PHE A 26 13.745 20.142 -4.606 1.00 0.07 O ATOM 398 CB PHE A 26 16.347 21.067 -2.450 1.00 0.21 C ATOM 399 CG PHE A 26 16.997 19.790 -2.975 1.00 0.30 C ATOM 400 CD1 PHE A 26 18.051 19.860 -3.861 1.00 1.47 C ATOM 401 CD2 PHE A 26 16.509 18.562 -2.587 1.00 0.72 C ATOM 402 CE1 PHE A 26 18.620 18.712 -4.366 1.00 1.78 C ATOM 403 CE2 PHE A 26 17.077 17.411 -3.095 1.00 0.51 C ATOM 404 CZ PHE A 26 18.133 17.482 -3.983 1.00 0.92 C ATOM 0 H PHE A 26 15.479 23.360 -2.354 1.00 0.29 H new ATOM 0 HA PHE A 26 15.859 21.567 -4.487 1.00 0.22 H new ATOM 0 HB2 PHE A 26 17.105 21.822 -2.242 1.00 0.21 H new ATOM 0 HB3 PHE A 26 15.826 20.872 -1.513 1.00 0.21 H new ATOM 0 HD1 PHE A 26 18.434 20.824 -4.162 1.00 1.47 H new ATOM 0 HD2 PHE A 26 15.687 18.500 -1.889 1.00 0.72 H new ATOM 0 HE1 PHE A 26 19.445 18.776 -5.060 1.00 1.78 H new ATOM 0 HE2 PHE A 26 16.693 16.447 -2.796 1.00 0.51 H new ATOM 0 HZ PHE A 26 18.574 16.578 -4.375 1.00 0.92 H new ATOM 414 N ILE A 27 13.494 20.603 -2.437 1.00 0.23 N ATOM 415 CA ILE A 27 12.242 19.818 -2.241 1.00 0.21 C ATOM 416 C ILE A 27 11.286 20.244 -3.354 1.00 0.18 C ATOM 417 O ILE A 27 10.985 19.474 -4.232 1.00 0.15 O ATOM 418 CB ILE A 27 11.765 20.269 -0.827 1.00 0.26 C ATOM 419 CG1 ILE A 27 12.168 19.271 0.282 1.00 0.22 C ATOM 420 CG2 ILE A 27 10.225 20.457 -0.669 1.00 0.29 C ATOM 421 CD1 ILE A 27 13.572 18.695 0.110 1.00 0.26 C ATOM 0 H ILE A 27 13.823 21.069 -1.591 1.00 0.23 H new ATOM 0 HA ILE A 27 12.333 18.733 -2.288 1.00 0.21 H new ATOM 0 HB ILE A 27 12.263 21.233 -0.723 1.00 0.26 H new ATOM 0 HG12 ILE A 27 12.106 19.771 1.248 1.00 0.22 H new ATOM 0 HG13 ILE A 27 11.449 18.452 0.300 1.00 0.22 H new ATOM 0 HG21 ILE A 27 9.999 20.771 0.350 1.00 0.29 H new ATOM 0 HG22 ILE A 27 9.878 21.217 -1.368 1.00 0.29 H new ATOM 0 HG23 ILE A 27 9.720 19.514 -0.878 1.00 0.29 H new ATOM 0 HD11 ILE A 27 13.784 18.003 0.925 1.00 0.26 H new ATOM 0 HD12 ILE A 27 13.634 18.165 -0.841 1.00 0.26 H new ATOM 0 HD13 ILE A 27 14.302 19.505 0.122 1.00 0.26 H new ATOM 433 N TYR A 28 10.846 21.471 -3.306 1.00 0.24 N ATOM 434 CA TYR A 28 9.903 22.018 -4.328 1.00 0.24 C ATOM 435 C TYR A 28 10.241 21.679 -5.782 1.00 0.16 C ATOM 436 O TYR A 28 9.492 21.020 -6.467 1.00 0.16 O ATOM 437 CB TYR A 28 9.842 23.570 -4.190 1.00 0.41 C ATOM 438 CG TYR A 28 9.019 24.071 -5.385 1.00 0.47 C ATOM 439 CD1 TYR A 28 7.658 23.836 -5.396 1.00 1.41 C ATOM 440 CD2 TYR A 28 9.616 24.700 -6.467 1.00 0.97 C ATOM 441 CE1 TYR A 28 6.884 24.212 -6.467 1.00 1.51 C ATOM 442 CE2 TYR A 28 8.816 25.068 -7.538 1.00 1.06 C ATOM 443 CZ TYR A 28 7.466 24.822 -7.536 1.00 0.86 C ATOM 444 OH TYR A 28 6.674 25.132 -8.614 1.00 1.15 O ATOM 0 H TYR A 28 11.108 22.138 -2.580 1.00 0.24 H new ATOM 0 HA TYR A 28 8.947 21.538 -4.119 1.00 0.24 H new ATOM 0 HB2 TYR A 28 9.377 23.860 -3.248 1.00 0.41 H new ATOM 0 HB3 TYR A 28 10.843 24.002 -4.198 1.00 0.41 H new ATOM 0 HD1 TYR A 28 7.195 23.349 -4.550 1.00 1.41 H new ATOM 0 HD2 TYR A 28 10.678 24.898 -6.475 1.00 0.97 H new ATOM 0 HE1 TYR A 28 5.820 24.025 -6.461 1.00 1.51 H new ATOM 0 HE2 TYR A 28 9.264 25.558 -8.390 1.00 1.06 H new ATOM 0 HH TYR A 28 6.887 24.532 -9.359 1.00 1.15 H new ATOM 454 N SER A 29 11.375 22.158 -6.183 1.00 0.17 N ATOM 455 CA SER A 29 11.956 21.998 -7.540 1.00 0.15 C ATOM 456 C SER A 29 11.822 20.557 -8.005 1.00 0.19 C ATOM 457 O SER A 29 11.231 20.223 -9.017 1.00 0.28 O ATOM 458 CB SER A 29 13.431 22.463 -7.379 1.00 0.19 C ATOM 459 OG SER A 29 14.087 21.595 -6.463 1.00 0.33 O ATOM 0 H SER A 29 11.976 22.704 -5.565 1.00 0.17 H new ATOM 0 HA SER A 29 11.449 22.582 -8.308 1.00 0.15 H new ATOM 0 HB2 SER A 29 13.939 22.448 -8.343 1.00 0.19 H new ATOM 0 HB3 SER A 29 13.466 23.490 -7.016 1.00 0.19 H new ATOM 0 HG SER A 29 13.670 21.676 -5.580 1.00 0.33 H new ATOM 465 N HIS A 30 12.397 19.713 -7.201 1.00 0.16 N ATOM 466 CA HIS A 30 12.374 18.276 -7.478 1.00 0.18 C ATOM 467 C HIS A 30 10.923 17.798 -7.437 1.00 0.26 C ATOM 468 O HIS A 30 10.478 17.184 -8.377 1.00 0.36 O ATOM 469 CB HIS A 30 13.249 17.670 -6.386 1.00 0.19 C ATOM 470 CG HIS A 30 14.709 17.967 -6.716 1.00 0.34 C ATOM 471 ND1 HIS A 30 15.247 19.137 -6.717 1.00 1.18 N ATOM 472 CD2 HIS A 30 15.744 17.127 -7.068 1.00 0.34 C ATOM 473 CE1 HIS A 30 16.501 19.045 -7.039 1.00 1.11 C ATOM 474 NE2 HIS A 30 16.853 17.807 -7.267 1.00 0.28 N ATOM 0 H HIS A 30 12.890 19.976 -6.348 1.00 0.16 H new ATOM 0 HA HIS A 30 12.753 17.990 -8.459 1.00 0.18 H new ATOM 0 HB2 HIS A 30 12.987 18.089 -5.414 1.00 0.19 H new ATOM 0 HB3 HIS A 30 13.086 16.594 -6.323 1.00 0.19 H new ATOM 0 HD1 HIS A 30 14.760 20.006 -6.498 1.00 1.18 H new ATOM 0 HD2 HIS A 30 15.656 16.055 -7.167 1.00 0.34 H new ATOM 0 HE1 HIS A 30 17.172 19.888 -7.110 1.00 1.11 H new ATOM 482 N TYR A 31 10.223 18.095 -6.374 1.00 0.26 N ATOM 483 CA TYR A 31 8.796 17.680 -6.215 1.00 0.34 C ATOM 484 C TYR A 31 8.099 17.852 -7.517 1.00 0.36 C ATOM 485 O TYR A 31 7.591 16.943 -8.130 1.00 0.29 O ATOM 486 CB TYR A 31 8.026 18.572 -5.208 1.00 0.47 C ATOM 487 CG TYR A 31 6.648 17.973 -4.910 1.00 0.50 C ATOM 488 CD1 TYR A 31 6.493 17.047 -3.883 1.00 0.33 C ATOM 489 CD2 TYR A 31 5.543 18.348 -5.666 1.00 1.35 C ATOM 490 CE1 TYR A 31 5.258 16.504 -3.616 1.00 0.29 C ATOM 491 CE2 TYR A 31 4.311 17.795 -5.372 1.00 1.37 C ATOM 492 CZ TYR A 31 4.169 16.876 -4.351 1.00 0.57 C ATOM 493 OH TYR A 31 2.954 16.309 -4.040 1.00 0.59 O ATOM 0 H TYR A 31 10.593 18.625 -5.585 1.00 0.26 H new ATOM 0 HA TYR A 31 8.807 16.649 -5.861 1.00 0.34 H new ATOM 0 HB2 TYR A 31 8.597 18.665 -4.284 1.00 0.47 H new ATOM 0 HB3 TYR A 31 7.913 19.577 -5.615 1.00 0.47 H new ATOM 0 HD1 TYR A 31 7.348 16.753 -3.292 1.00 0.33 H new ATOM 0 HD2 TYR A 31 5.646 19.061 -6.471 1.00 1.35 H new ATOM 0 HE1 TYR A 31 5.149 15.780 -2.822 1.00 0.29 H new ATOM 0 HE2 TYR A 31 3.446 18.086 -5.950 1.00 1.37 H new ATOM 0 HH TYR A 31 3.096 15.408 -3.681 1.00 0.59 H new ATOM 503 N LYS A 32 8.104 19.085 -7.894 1.00 0.50 N ATOM 504 CA LYS A 32 7.469 19.469 -9.157 1.00 0.62 C ATOM 505 C LYS A 32 7.996 18.575 -10.276 1.00 0.61 C ATOM 506 O LYS A 32 7.170 18.086 -11.018 1.00 0.69 O ATOM 507 CB LYS A 32 7.678 20.906 -9.221 1.00 0.67 C ATOM 508 CG LYS A 32 6.982 21.630 -8.050 1.00 0.74 C ATOM 509 CD LYS A 32 5.429 21.440 -7.965 1.00 0.83 C ATOM 510 CE LYS A 32 4.780 22.253 -9.021 1.00 1.30 C ATOM 511 NZ LYS A 32 3.295 22.333 -8.759 1.00 1.14 N ATOM 0 H LYS A 32 8.528 19.851 -7.371 1.00 0.50 H new ATOM 0 HA LYS A 32 6.396 19.305 -9.256 1.00 0.62 H new ATOM 0 HB2 LYS A 32 8.746 21.121 -9.200 1.00 0.67 H new ATOM 0 HB3 LYS A 32 7.295 21.289 -10.167 1.00 0.67 H new ATOM 0 HG2 LYS A 32 7.424 21.282 -7.117 1.00 0.74 H new ATOM 0 HG3 LYS A 32 7.196 22.696 -8.126 1.00 0.74 H new ATOM 0 HD2 LYS A 32 5.172 20.388 -8.090 1.00 0.83 H new ATOM 0 HD3 LYS A 32 5.067 21.742 -6.982 1.00 0.83 H new ATOM 0 HE2 LYS A 32 5.211 23.254 -9.039 1.00 1.30 H new ATOM 0 HE3 LYS A 32 4.963 21.809 -10.000 1.00 1.30 H new ATOM 0 HZ1 LYS A 32 2.842 22.904 -9.501 1.00 1.14 H new ATOM 0 HZ2 LYS A 32 2.890 21.375 -8.763 1.00 1.14 H new ATOM 0 HZ3 LYS A 32 3.129 22.775 -7.832 1.00 1.14 H new ATOM 525 N GLN A 33 9.282 18.362 -10.419 1.00 0.55 N ATOM 526 CA GLN A 33 9.721 17.446 -11.534 1.00 0.58 C ATOM 527 C GLN A 33 9.017 16.084 -11.331 1.00 0.39 C ATOM 528 O GLN A 33 8.241 15.589 -12.129 1.00 0.25 O ATOM 529 CB GLN A 33 11.239 17.140 -11.453 1.00 0.68 C ATOM 530 CG GLN A 33 12.064 18.173 -12.226 1.00 0.75 C ATOM 531 CD GLN A 33 11.472 18.387 -13.602 1.00 0.29 C ATOM 532 OE1 GLN A 33 10.946 19.437 -13.877 1.00 1.76 O ATOM 533 NE2 GLN A 33 11.513 17.458 -14.496 1.00 1.36 N ATOM 0 H GLN A 33 10.023 18.760 -9.843 1.00 0.55 H new ATOM 0 HA GLN A 33 9.482 17.929 -12.481 1.00 0.58 H new ATOM 0 HB2 GLN A 33 11.553 17.129 -10.409 1.00 0.68 H new ATOM 0 HB3 GLN A 33 11.432 16.145 -11.854 1.00 0.68 H new ATOM 0 HG2 GLN A 33 12.084 19.116 -11.680 1.00 0.75 H new ATOM 0 HG3 GLN A 33 13.096 17.833 -12.314 1.00 0.75 H new ATOM 0 HE21 GLN A 33 11.954 16.563 -14.282 1.00 1.36 H new ATOM 0 HE22 GLN A 33 11.105 17.618 -15.417 1.00 1.36 H new ATOM 542 N ALA A 34 9.352 15.542 -10.201 1.00 0.39 N ATOM 543 CA ALA A 34 8.867 14.234 -9.690 1.00 0.26 C ATOM 544 C ALA A 34 7.427 13.902 -10.047 1.00 0.45 C ATOM 545 O ALA A 34 7.097 12.941 -10.712 1.00 0.68 O ATOM 546 CB ALA A 34 9.019 14.284 -8.161 1.00 0.19 C ATOM 0 H ALA A 34 10.000 15.996 -9.557 1.00 0.39 H new ATOM 0 HA ALA A 34 9.458 13.448 -10.161 1.00 0.26 H new ATOM 0 HB1 ALA A 34 8.676 13.343 -7.730 1.00 0.19 H new ATOM 0 HB2 ALA A 34 10.067 14.440 -7.904 1.00 0.19 H new ATOM 0 HB3 ALA A 34 8.422 15.105 -7.763 1.00 0.19 H new ATOM 552 N THR A 35 6.623 14.798 -9.584 1.00 0.40 N ATOM 553 CA THR A 35 5.137 14.728 -9.761 1.00 0.59 C ATOM 554 C THR A 35 4.631 15.154 -11.117 1.00 0.97 C ATOM 555 O THR A 35 3.991 14.400 -11.819 1.00 1.17 O ATOM 556 CB THR A 35 4.477 15.660 -8.749 1.00 0.68 C ATOM 557 OG1 THR A 35 5.111 16.901 -9.007 1.00 0.80 O ATOM 558 CG2 THR A 35 4.919 15.361 -7.339 1.00 0.53 C ATOM 0 H THR A 35 6.937 15.618 -9.065 1.00 0.40 H new ATOM 0 HA THR A 35 4.886 13.675 -9.630 1.00 0.59 H new ATOM 0 HB THR A 35 3.392 15.598 -8.832 1.00 0.68 H new ATOM 0 HG1 THR A 35 5.843 17.033 -8.369 1.00 0.80 H new ATOM 0 HG21 THR A 35 4.426 16.047 -6.650 1.00 0.53 H new ATOM 0 HG22 THR A 35 4.652 14.336 -7.084 1.00 0.53 H new ATOM 0 HG23 THR A 35 5.999 15.484 -7.263 1.00 0.53 H new ATOM 566 N VAL A 36 4.953 16.353 -11.463 1.00 1.08 N ATOM 567 CA VAL A 36 4.531 16.962 -12.775 1.00 1.46 C ATOM 568 C VAL A 36 5.527 16.683 -13.879 1.00 1.55 C ATOM 569 O VAL A 36 5.261 16.061 -14.888 1.00 1.93 O ATOM 570 CB VAL A 36 4.561 18.533 -12.577 1.00 1.45 C ATOM 571 CG1 VAL A 36 4.229 19.343 -13.870 1.00 1.85 C ATOM 572 CG2 VAL A 36 3.667 18.920 -11.423 1.00 1.51 C ATOM 0 H VAL A 36 5.513 16.975 -10.880 1.00 1.08 H new ATOM 0 HA VAL A 36 3.558 16.552 -13.045 1.00 1.46 H new ATOM 0 HB VAL A 36 5.590 18.804 -12.341 1.00 1.45 H new ATOM 0 HG11 VAL A 36 4.270 20.410 -13.652 1.00 1.85 H new ATOM 0 HG12 VAL A 36 4.956 19.103 -14.646 1.00 1.85 H new ATOM 0 HG13 VAL A 36 3.229 19.082 -14.216 1.00 1.85 H new ATOM 0 HG21 VAL A 36 3.691 20.002 -11.291 1.00 1.51 H new ATOM 0 HG22 VAL A 36 2.645 18.603 -11.632 1.00 1.51 H new ATOM 0 HG23 VAL A 36 4.018 18.435 -10.512 1.00 1.51 H new ATOM 582 N GLY A 37 6.689 17.161 -13.592 1.00 1.26 N ATOM 583 CA GLY A 37 7.850 17.046 -14.518 1.00 1.34 C ATOM 584 C GLY A 37 8.331 18.473 -14.711 1.00 1.04 C ATOM 585 O GLY A 37 8.354 19.282 -13.795 1.00 0.68 O ATOM 0 H GLY A 37 6.899 17.648 -12.721 1.00 1.26 H new ATOM 0 HA2 GLY A 37 8.634 16.418 -14.095 1.00 1.34 H new ATOM 0 HA3 GLY A 37 7.557 16.595 -15.466 1.00 1.34 H new ATOM 589 N ASP A 38 8.713 18.698 -15.926 1.00 1.22 N ATOM 590 CA ASP A 38 9.213 20.002 -16.364 1.00 0.99 C ATOM 591 C ASP A 38 8.322 21.160 -15.900 1.00 0.87 C ATOM 592 O ASP A 38 7.117 21.048 -15.748 1.00 0.99 O ATOM 593 CB ASP A 38 9.302 19.813 -17.897 1.00 1.03 C ATOM 594 CG ASP A 38 10.435 18.829 -18.246 1.00 1.15 C ATOM 595 OD1 ASP A 38 10.647 17.915 -17.458 1.00 1.21 O ATOM 596 OD2 ASP A 38 11.019 19.074 -19.288 1.00 1.71 O ATOM 0 H ASP A 38 8.695 17.992 -16.662 1.00 1.22 H new ATOM 0 HA ASP A 38 10.172 20.288 -15.933 1.00 0.99 H new ATOM 0 HB2 ASP A 38 8.353 19.438 -18.280 1.00 1.03 H new ATOM 0 HB3 ASP A 38 9.483 20.774 -18.379 1.00 1.03 H new ATOM 601 N ILE A 39 8.993 22.248 -15.682 1.00 0.96 N ATOM 602 CA ILE A 39 8.323 23.481 -15.233 1.00 0.91 C ATOM 603 C ILE A 39 7.406 23.978 -16.351 1.00 1.23 C ATOM 604 O ILE A 39 7.718 24.772 -17.212 1.00 1.18 O ATOM 605 CB ILE A 39 9.326 24.377 -14.635 1.00 0.68 C ATOM 606 CG1 ILE A 39 8.538 25.429 -13.867 1.00 0.75 C ATOM 607 CG2 ILE A 39 10.310 24.917 -15.660 1.00 0.68 C ATOM 608 CD1 ILE A 39 9.514 26.028 -12.914 1.00 0.57 C ATOM 0 H ILE A 39 10.003 22.332 -15.800 1.00 0.96 H new ATOM 0 HA ILE A 39 7.621 23.354 -14.409 1.00 0.91 H new ATOM 0 HB ILE A 39 9.987 23.853 -13.945 1.00 0.68 H new ATOM 0 HG12 ILE A 39 8.130 26.184 -14.539 1.00 0.75 H new ATOM 0 HG13 ILE A 39 7.695 24.983 -13.339 1.00 0.75 H new ATOM 0 HG21 ILE A 39 11.027 25.572 -15.166 1.00 0.68 H new ATOM 0 HG22 ILE A 39 10.839 24.087 -16.129 1.00 0.68 H new ATOM 0 HG23 ILE A 39 9.770 25.480 -16.422 1.00 0.68 H new ATOM 0 HD11 ILE A 39 9.019 26.798 -12.322 1.00 0.57 H new ATOM 0 HD12 ILE A 39 9.899 25.252 -12.252 1.00 0.57 H new ATOM 0 HD13 ILE A 39 10.340 26.472 -13.470 1.00 0.57 H new ATOM 620 N ASN A 40 6.243 23.421 -16.213 1.00 1.56 N ATOM 621 CA ASN A 40 5.064 23.639 -17.114 1.00 1.88 C ATOM 622 C ASN A 40 4.137 24.639 -16.444 1.00 1.95 C ATOM 623 O ASN A 40 2.927 24.551 -16.397 1.00 2.03 O ATOM 624 CB ASN A 40 4.369 22.270 -17.340 1.00 2.06 C ATOM 625 CG ASN A 40 5.074 21.491 -18.431 1.00 3.31 C ATOM 626 OD1 ASN A 40 5.025 21.834 -19.590 1.00 4.12 O ATOM 627 ND2 ASN A 40 5.741 20.433 -18.116 1.00 3.79 N ATOM 0 H ASN A 40 6.041 22.771 -15.453 1.00 1.56 H new ATOM 0 HA ASN A 40 5.358 24.039 -18.084 1.00 1.88 H new ATOM 0 HB2 ASN A 40 4.374 21.696 -16.414 1.00 2.06 H new ATOM 0 HB3 ASN A 40 3.325 22.426 -17.613 1.00 2.06 H new ATOM 0 HD21 ASN A 40 6.219 19.897 -18.840 1.00 3.79 H new ATOM 0 HD22 ASN A 40 5.791 20.132 -17.143 1.00 3.79 H new ATOM 634 N THR A 41 4.853 25.580 -15.915 1.00 1.95 N ATOM 635 CA THR A 41 4.278 26.748 -15.182 1.00 2.02 C ATOM 636 C THR A 41 5.043 27.960 -15.673 1.00 1.97 C ATOM 637 O THR A 41 5.629 27.969 -16.738 1.00 2.62 O ATOM 638 CB THR A 41 4.463 26.704 -13.661 1.00 1.83 C ATOM 639 OG1 THR A 41 5.861 26.863 -13.454 1.00 1.39 O ATOM 640 CG2 THR A 41 4.187 25.399 -13.118 1.00 2.02 C ATOM 0 H THR A 41 5.872 25.592 -15.961 1.00 1.95 H new ATOM 0 HA THR A 41 3.205 26.759 -15.371 1.00 2.02 H new ATOM 0 HB THR A 41 3.811 27.448 -13.204 1.00 1.83 H new ATOM 0 HG1 THR A 41 6.053 26.846 -12.493 1.00 1.39 H new ATOM 0 HG21 THR A 41 4.331 25.416 -12.038 1.00 2.02 H new ATOM 0 HG22 THR A 41 3.157 25.122 -13.342 1.00 2.02 H new ATOM 0 HG23 THR A 41 4.864 24.669 -13.563 1.00 2.02 H new ATOM 648 N GLU A 42 5.020 28.960 -14.849 1.00 1.31 N ATOM 649 CA GLU A 42 5.720 30.216 -15.199 1.00 1.14 C ATOM 650 C GLU A 42 6.610 30.876 -14.202 1.00 1.02 C ATOM 651 O GLU A 42 6.419 30.848 -13.003 1.00 1.02 O ATOM 652 CB GLU A 42 4.688 31.224 -15.482 1.00 1.07 C ATOM 653 CG GLU A 42 4.131 30.816 -16.850 1.00 2.64 C ATOM 654 CD GLU A 42 2.936 31.613 -17.355 1.00 2.79 C ATOM 655 OE1 GLU A 42 2.529 32.553 -16.695 1.00 2.09 O ATOM 656 OE2 GLU A 42 2.500 31.196 -18.415 1.00 3.75 O ATOM 0 H GLU A 42 4.546 28.962 -13.946 1.00 1.31 H new ATOM 0 HA GLU A 42 6.377 29.898 -16.009 1.00 1.14 H new ATOM 0 HB2 GLU A 42 3.910 31.223 -14.719 1.00 1.07 H new ATOM 0 HB3 GLU A 42 5.109 32.229 -15.507 1.00 1.07 H new ATOM 0 HG2 GLU A 42 4.932 30.898 -17.584 1.00 2.64 H new ATOM 0 HG3 GLU A 42 3.847 29.765 -16.804 1.00 2.64 H new ATOM 663 N ARG A 43 7.558 31.477 -14.828 1.00 0.96 N ATOM 664 CA ARG A 43 8.590 32.222 -14.076 1.00 0.84 C ATOM 665 C ARG A 43 8.122 33.658 -13.715 1.00 0.89 C ATOM 666 O ARG A 43 8.001 34.472 -14.607 1.00 0.95 O ATOM 667 CB ARG A 43 9.753 32.273 -15.025 1.00 0.74 C ATOM 668 CG ARG A 43 10.956 32.764 -14.247 1.00 0.64 C ATOM 669 CD ARG A 43 12.154 32.745 -15.159 1.00 0.64 C ATOM 670 NE ARG A 43 13.339 32.796 -14.239 1.00 0.65 N ATOM 671 CZ ARG A 43 14.271 33.669 -14.219 1.00 0.50 C ATOM 672 NH1 ARG A 43 14.210 34.730 -14.912 1.00 1.00 N ATOM 673 NH2 ARG A 43 15.243 33.391 -13.458 1.00 1.04 N ATOM 0 H ARG A 43 7.669 31.488 -15.842 1.00 0.96 H new ATOM 0 HA ARG A 43 8.826 31.745 -13.124 1.00 0.84 H new ATOM 0 HB2 ARG A 43 9.946 31.287 -15.447 1.00 0.74 H new ATOM 0 HB3 ARG A 43 9.538 32.941 -15.859 1.00 0.74 H new ATOM 0 HG2 ARG A 43 10.780 33.773 -13.874 1.00 0.64 H new ATOM 0 HG3 ARG A 43 11.131 32.129 -13.379 1.00 0.64 H new ATOM 0 HD2 ARG A 43 12.169 31.845 -15.773 1.00 0.64 H new ATOM 0 HD3 ARG A 43 12.146 33.596 -15.840 1.00 0.64 H new ATOM 0 HE ARG A 43 13.408 32.047 -13.550 1.00 0.65 H new ATOM 0 HH11 ARG A 43 13.400 34.905 -15.507 1.00 1.00 H new ATOM 0 HH12 ARG A 43 14.971 35.408 -14.874 1.00 1.00 H new ATOM 0 HH21 ARG A 43 15.238 32.524 -12.921 1.00 1.04 H new ATOM 0 HH22 ARG A 43 16.031 34.034 -13.382 1.00 1.04 H new ATOM 687 N PRO A 44 7.862 33.931 -12.446 1.00 0.95 N ATOM 688 CA PRO A 44 7.405 35.295 -11.996 1.00 1.09 C ATOM 689 C PRO A 44 8.169 36.541 -12.557 1.00 0.86 C ATOM 690 O PRO A 44 9.339 36.480 -12.889 1.00 0.61 O ATOM 691 CB PRO A 44 7.642 35.231 -10.458 1.00 1.18 C ATOM 692 CG PRO A 44 7.430 33.739 -10.098 1.00 1.30 C ATOM 693 CD PRO A 44 7.982 32.952 -11.308 1.00 0.98 C ATOM 0 HA PRO A 44 6.388 35.457 -12.352 1.00 1.09 H new ATOM 0 HB2 PRO A 44 8.646 35.564 -10.196 1.00 1.18 H new ATOM 0 HB3 PRO A 44 6.943 35.873 -9.921 1.00 1.18 H new ATOM 0 HG2 PRO A 44 7.958 33.475 -9.182 1.00 1.30 H new ATOM 0 HG3 PRO A 44 6.375 33.519 -9.932 1.00 1.30 H new ATOM 0 HD2 PRO A 44 9.016 32.645 -11.150 1.00 0.98 H new ATOM 0 HD3 PRO A 44 7.405 32.046 -11.495 1.00 0.98 H new ATOM 701 N GLY A 45 7.468 37.643 -12.630 1.00 1.21 N ATOM 702 CA GLY A 45 8.049 38.950 -13.143 1.00 1.17 C ATOM 703 C GLY A 45 7.902 40.185 -12.219 1.00 1.05 C ATOM 704 O GLY A 45 8.604 41.164 -12.387 1.00 1.50 O ATOM 0 H GLY A 45 6.489 37.706 -12.351 1.00 1.21 H new ATOM 0 HA2 GLY A 45 9.110 38.797 -13.341 1.00 1.17 H new ATOM 0 HA3 GLY A 45 7.577 39.181 -14.098 1.00 1.17 H new ATOM 708 N MET A 46 6.992 40.121 -11.282 1.00 0.89 N ATOM 709 CA MET A 46 6.768 41.278 -10.340 1.00 1.22 C ATOM 710 C MET A 46 7.414 41.206 -8.924 1.00 1.39 C ATOM 711 O MET A 46 8.525 40.751 -8.731 1.00 1.17 O ATOM 712 CB MET A 46 5.236 41.596 -10.337 1.00 1.74 C ATOM 713 CG MET A 46 4.376 40.376 -9.912 1.00 2.44 C ATOM 714 SD MET A 46 4.711 39.581 -8.321 1.00 3.87 S ATOM 715 CE MET A 46 3.372 40.290 -7.326 1.00 4.78 C ATOM 0 H MET A 46 6.387 39.316 -11.122 1.00 0.89 H new ATOM 0 HA MET A 46 7.341 42.117 -10.734 1.00 1.22 H new ATOM 0 HB2 MET A 46 5.042 42.427 -9.659 1.00 1.74 H new ATOM 0 HB3 MET A 46 4.934 41.920 -11.333 1.00 1.74 H new ATOM 0 HG2 MET A 46 3.333 40.693 -9.909 1.00 2.44 H new ATOM 0 HG3 MET A 46 4.476 39.616 -10.687 1.00 2.44 H new ATOM 0 HE1 MET A 46 3.430 39.903 -6.309 1.00 4.78 H new ATOM 0 HE2 MET A 46 3.468 41.376 -7.307 1.00 4.78 H new ATOM 0 HE3 MET A 46 2.411 40.018 -7.763 1.00 4.78 H new ATOM 725 N LEU A 47 6.680 41.662 -7.948 1.00 1.97 N ATOM 726 CA LEU A 47 7.167 41.670 -6.541 1.00 2.31 C ATOM 727 C LEU A 47 7.015 40.271 -5.937 1.00 2.79 C ATOM 728 O LEU A 47 6.224 40.014 -5.052 1.00 3.83 O ATOM 729 CB LEU A 47 6.312 42.717 -5.779 1.00 2.79 C ATOM 730 CG LEU A 47 7.055 43.278 -4.543 1.00 2.60 C ATOM 731 CD1 LEU A 47 6.127 44.252 -3.825 1.00 3.49 C ATOM 732 CD2 LEU A 47 7.447 42.186 -3.542 1.00 2.94 C ATOM 0 H LEU A 47 5.740 42.039 -8.071 1.00 1.97 H new ATOM 0 HA LEU A 47 8.223 41.934 -6.477 1.00 2.31 H new ATOM 0 HB2 LEU A 47 6.056 43.536 -6.451 1.00 2.79 H new ATOM 0 HB3 LEU A 47 5.375 42.260 -5.463 1.00 2.79 H new ATOM 0 HG LEU A 47 7.967 43.756 -4.899 1.00 2.60 H new ATOM 0 HD11 LEU A 47 6.633 44.659 -2.950 1.00 3.49 H new ATOM 0 HD12 LEU A 47 5.860 45.065 -4.500 1.00 3.49 H new ATOM 0 HD13 LEU A 47 5.223 43.729 -3.511 1.00 3.49 H new ATOM 0 HD21 LEU A 47 7.965 42.637 -2.696 1.00 2.94 H new ATOM 0 HD22 LEU A 47 6.550 41.677 -3.189 1.00 2.94 H new ATOM 0 HD23 LEU A 47 8.105 41.466 -4.028 1.00 2.94 H new ATOM 744 N ASP A 48 7.799 39.386 -6.467 1.00 2.05 N ATOM 745 CA ASP A 48 7.769 37.988 -5.976 1.00 2.45 C ATOM 746 C ASP A 48 9.043 37.821 -5.104 1.00 2.32 C ATOM 747 O ASP A 48 9.035 37.322 -3.995 1.00 3.14 O ATOM 748 CB ASP A 48 7.807 37.103 -7.263 1.00 2.35 C ATOM 749 CG ASP A 48 9.234 36.989 -7.756 1.00 0.83 C ATOM 750 OD1 ASP A 48 9.730 37.820 -8.492 1.00 0.68 O ATOM 751 OD2 ASP A 48 9.817 36.020 -7.324 1.00 1.54 O ATOM 0 H ASP A 48 8.461 39.569 -7.221 1.00 2.05 H new ATOM 0 HA ASP A 48 6.898 37.717 -5.379 1.00 2.45 H new ATOM 0 HB2 ASP A 48 7.405 36.113 -7.048 1.00 2.35 H new ATOM 0 HB3 ASP A 48 7.177 37.541 -8.037 1.00 2.35 H new ATOM 756 N PHE A 49 10.115 38.286 -5.694 1.00 1.62 N ATOM 757 CA PHE A 49 11.482 38.250 -5.104 1.00 1.35 C ATOM 758 C PHE A 49 11.825 36.787 -4.801 1.00 0.83 C ATOM 759 O PHE A 49 12.551 36.167 -5.555 1.00 0.96 O ATOM 760 CB PHE A 49 11.539 39.166 -3.829 1.00 1.75 C ATOM 761 CG PHE A 49 11.146 40.634 -4.093 1.00 2.00 C ATOM 762 CD1 PHE A 49 11.032 41.176 -5.360 1.00 2.06 C ATOM 763 CD2 PHE A 49 10.894 41.449 -3.004 1.00 2.51 C ATOM 764 CE1 PHE A 49 10.672 42.497 -5.529 1.00 2.41 C ATOM 765 CE2 PHE A 49 10.535 42.766 -3.171 1.00 2.80 C ATOM 766 CZ PHE A 49 10.423 43.292 -4.434 1.00 2.67 C ATOM 0 H PHE A 49 10.090 38.715 -6.619 1.00 1.62 H new ATOM 0 HA PHE A 49 12.226 38.643 -5.797 1.00 1.35 H new ATOM 0 HB2 PHE A 49 10.876 38.754 -3.068 1.00 1.75 H new ATOM 0 HB3 PHE A 49 12.549 39.139 -3.420 1.00 1.75 H new ATOM 0 HD1 PHE A 49 11.227 40.560 -6.225 1.00 2.06 H new ATOM 0 HD2 PHE A 49 10.981 41.044 -2.006 1.00 2.51 H new ATOM 0 HE1 PHE A 49 10.585 42.908 -6.524 1.00 2.41 H new ATOM 0 HE2 PHE A 49 10.341 43.386 -2.308 1.00 2.80 H new ATOM 0 HZ PHE A 49 10.141 44.326 -4.568 1.00 2.67 H new ATOM 776 N LYS A 50 11.308 36.259 -3.731 1.00 0.69 N ATOM 777 CA LYS A 50 11.580 34.837 -3.361 1.00 0.67 C ATOM 778 C LYS A 50 10.311 34.033 -3.776 1.00 0.62 C ATOM 779 O LYS A 50 9.813 33.245 -2.989 1.00 0.59 O ATOM 780 CB LYS A 50 11.870 34.787 -1.817 1.00 1.16 C ATOM 781 CG LYS A 50 12.675 33.499 -1.458 1.00 2.61 C ATOM 782 CD LYS A 50 13.018 33.417 0.081 1.00 3.05 C ATOM 783 CE LYS A 50 11.765 33.212 0.943 1.00 3.38 C ATOM 784 NZ LYS A 50 12.201 32.720 2.298 1.00 4.36 N ATOM 0 H LYS A 50 10.698 36.757 -3.083 1.00 0.69 H new ATOM 0 HA LYS A 50 12.447 34.406 -3.861 1.00 0.67 H new ATOM 0 HB2 LYS A 50 12.433 35.671 -1.517 1.00 1.16 H new ATOM 0 HB3 LYS A 50 10.931 34.804 -1.263 1.00 1.16 H new ATOM 0 HG2 LYS A 50 12.098 32.620 -1.747 1.00 2.61 H new ATOM 0 HG3 LYS A 50 13.599 33.478 -2.036 1.00 2.61 H new ATOM 0 HD2 LYS A 50 13.714 32.596 0.253 1.00 3.05 H new ATOM 0 HD3 LYS A 50 13.523 34.333 0.388 1.00 3.05 H new ATOM 0 HE2 LYS A 50 11.212 34.146 1.038 1.00 3.38 H new ATOM 0 HE3 LYS A 50 11.095 32.491 0.474 1.00 3.38 H new ATOM 0 HZ1 LYS A 50 12.107 31.685 2.338 1.00 4.36 H new ATOM 0 HZ2 LYS A 50 13.194 32.984 2.460 1.00 4.36 H new ATOM 0 HZ3 LYS A 50 11.604 33.151 3.032 1.00 4.36 H new ATOM 798 N GLY A 51 9.815 34.239 -4.978 1.00 0.79 N ATOM 799 CA GLY A 51 8.593 33.471 -5.393 1.00 1.02 C ATOM 800 C GLY A 51 9.120 32.572 -6.462 1.00 1.27 C ATOM 801 O GLY A 51 9.029 31.362 -6.414 1.00 1.48 O ATOM 0 H GLY A 51 10.191 34.886 -5.671 1.00 0.79 H new ATOM 0 HA2 GLY A 51 8.167 32.907 -4.563 1.00 1.02 H new ATOM 0 HA3 GLY A 51 7.809 34.129 -5.767 1.00 1.02 H new ATOM 805 N LYS A 52 9.696 33.251 -7.409 1.00 1.24 N ATOM 806 CA LYS A 52 10.314 32.651 -8.593 1.00 1.48 C ATOM 807 C LYS A 52 11.457 31.783 -8.153 1.00 1.12 C ATOM 808 O LYS A 52 11.811 30.920 -8.899 1.00 0.82 O ATOM 809 CB LYS A 52 10.724 33.844 -9.445 1.00 2.04 C ATOM 810 CG LYS A 52 12.072 33.735 -10.133 1.00 1.74 C ATOM 811 CD LYS A 52 13.090 34.313 -9.133 1.00 1.37 C ATOM 812 CE LYS A 52 13.063 35.860 -9.139 1.00 0.74 C ATOM 813 NZ LYS A 52 12.228 36.326 -7.996 1.00 1.31 N ATOM 0 H LYS A 52 9.760 34.269 -7.395 1.00 1.24 H new ATOM 0 HA LYS A 52 9.664 31.994 -9.172 1.00 1.48 H new ATOM 0 HB2 LYS A 52 9.961 34.001 -10.207 1.00 2.04 H new ATOM 0 HB3 LYS A 52 10.731 34.732 -8.813 1.00 2.04 H new ATOM 0 HG2 LYS A 52 12.306 32.699 -10.377 1.00 1.74 H new ATOM 0 HG3 LYS A 52 12.081 34.293 -11.069 1.00 1.74 H new ATOM 0 HD2 LYS A 52 12.868 33.947 -8.131 1.00 1.37 H new ATOM 0 HD3 LYS A 52 14.091 33.963 -9.386 1.00 1.37 H new ATOM 0 HE2 LYS A 52 14.075 36.256 -9.054 1.00 0.74 H new ATOM 0 HE3 LYS A 52 12.654 36.227 -10.080 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 12.046 37.345 -8.092 1.00 1.31 H new ATOM 0 HZ2 LYS A 52 11.324 35.811 -7.994 1.00 1.31 H new ATOM 0 HZ3 LYS A 52 12.730 36.147 -7.103 1.00 1.31 H new ATOM 827 N ALA A 53 12.033 32.007 -7.001 1.00 1.19 N ATOM 828 CA ALA A 53 13.166 31.126 -6.563 1.00 0.98 C ATOM 829 C ALA A 53 12.630 29.705 -6.817 1.00 0.84 C ATOM 830 O ALA A 53 13.193 28.989 -7.606 1.00 0.78 O ATOM 831 CB ALA A 53 13.433 31.421 -5.142 1.00 0.96 C ATOM 0 H ALA A 53 11.776 32.749 -6.350 1.00 1.19 H new ATOM 0 HA ALA A 53 14.114 31.266 -7.083 1.00 0.98 H new ATOM 0 HB1 ALA A 53 14.254 30.797 -4.789 1.00 0.96 H new ATOM 0 HB2 ALA A 53 13.703 32.471 -5.033 1.00 0.96 H new ATOM 0 HB3 ALA A 53 12.540 31.213 -4.553 1.00 0.96 H new ATOM 837 N LYS A 54 11.573 29.319 -6.157 1.00 0.79 N ATOM 838 CA LYS A 54 10.973 27.962 -6.380 1.00 0.70 C ATOM 839 C LYS A 54 10.931 27.650 -7.887 1.00 0.62 C ATOM 840 O LYS A 54 11.303 26.583 -8.344 1.00 0.58 O ATOM 841 CB LYS A 54 9.497 28.091 -5.935 1.00 0.83 C ATOM 842 CG LYS A 54 9.404 28.257 -4.433 1.00 0.80 C ATOM 843 CD LYS A 54 9.081 26.880 -3.800 1.00 2.07 C ATOM 844 CE LYS A 54 8.977 26.974 -2.282 1.00 2.01 C ATOM 845 NZ LYS A 54 8.021 28.081 -1.955 1.00 2.65 N ATOM 0 H LYS A 54 11.090 29.889 -5.463 1.00 0.79 H new ATOM 0 HA LYS A 54 11.540 27.196 -5.851 1.00 0.70 H new ATOM 0 HB2 LYS A 54 9.036 28.946 -6.430 1.00 0.83 H new ATOM 0 HB3 LYS A 54 8.940 27.206 -6.243 1.00 0.83 H new ATOM 0 HG2 LYS A 54 10.343 28.644 -4.037 1.00 0.80 H new ATOM 0 HG3 LYS A 54 8.629 28.980 -4.180 1.00 0.80 H new ATOM 0 HD2 LYS A 54 8.143 26.502 -4.207 1.00 2.07 H new ATOM 0 HD3 LYS A 54 9.857 26.164 -4.069 1.00 2.07 H new ATOM 0 HE2 LYS A 54 8.626 26.030 -1.864 1.00 2.01 H new ATOM 0 HE3 LYS A 54 9.955 27.172 -1.844 1.00 2.01 H new ATOM 0 HZ1 LYS A 54 7.681 27.969 -0.978 1.00 2.65 H new ATOM 0 HZ2 LYS A 54 8.504 28.997 -2.051 1.00 2.65 H new ATOM 0 HZ3 LYS A 54 7.213 28.046 -2.609 1.00 2.65 H new ATOM 859 N TRP A 55 10.461 28.633 -8.618 1.00 0.61 N ATOM 860 CA TRP A 55 10.349 28.484 -10.075 1.00 0.56 C ATOM 861 C TRP A 55 11.663 28.051 -10.678 1.00 0.38 C ATOM 862 O TRP A 55 11.800 26.989 -11.242 1.00 0.31 O ATOM 863 CB TRP A 55 9.913 29.833 -10.671 1.00 0.63 C ATOM 864 CG TRP A 55 9.510 29.465 -12.060 1.00 0.61 C ATOM 865 CD1 TRP A 55 8.272 29.081 -12.352 1.00 0.68 C ATOM 866 CD2 TRP A 55 10.285 29.400 -13.150 1.00 0.52 C ATOM 867 NE1 TRP A 55 8.358 28.787 -13.624 1.00 0.67 N ATOM 868 CE2 TRP A 55 9.529 28.948 -14.187 1.00 0.57 C ATOM 869 CE3 TRP A 55 11.601 29.699 -13.357 1.00 0.38 C ATOM 870 CZ2 TRP A 55 10.050 28.782 -15.424 1.00 0.51 C ATOM 871 CZ3 TRP A 55 12.144 29.541 -14.600 1.00 0.28 C ATOM 872 CH2 TRP A 55 11.378 29.078 -15.654 1.00 0.38 C ATOM 0 H TRP A 55 10.152 29.533 -8.251 1.00 0.61 H new ATOM 0 HA TRP A 55 9.611 27.715 -10.303 1.00 0.56 H new ATOM 0 HB2 TRP A 55 9.087 30.274 -10.113 1.00 0.63 H new ATOM 0 HB3 TRP A 55 10.725 30.560 -10.664 1.00 0.63 H new ATOM 0 HD1 TRP A 55 7.411 29.025 -11.702 1.00 0.68 H new ATOM 0 HE1 TRP A 55 7.553 28.449 -14.151 1.00 0.67 H new ATOM 0 HE3 TRP A 55 12.210 30.059 -12.541 1.00 0.38 H new ATOM 0 HZ2 TRP A 55 9.429 28.419 -16.229 1.00 0.51 H new ATOM 0 HZ3 TRP A 55 13.185 29.781 -14.762 1.00 0.28 H new ATOM 0 HH2 TRP A 55 11.810 28.951 -16.636 1.00 0.38 H new ATOM 883 N ASP A 56 12.595 28.922 -10.505 1.00 0.36 N ATOM 884 CA ASP A 56 13.949 28.661 -11.039 1.00 0.21 C ATOM 885 C ASP A 56 14.497 27.342 -10.487 1.00 0.13 C ATOM 886 O ASP A 56 14.925 26.487 -11.235 1.00 0.12 O ATOM 887 CB ASP A 56 14.771 29.866 -10.721 1.00 0.25 C ATOM 888 CG ASP A 56 14.571 30.959 -11.721 1.00 0.28 C ATOM 889 OD1 ASP A 56 14.546 30.699 -12.908 1.00 1.18 O ATOM 890 OD2 ASP A 56 14.446 32.075 -11.290 1.00 1.01 O ATOM 0 H ASP A 56 12.482 29.810 -10.015 1.00 0.36 H new ATOM 0 HA ASP A 56 13.957 28.520 -12.120 1.00 0.21 H new ATOM 0 HB2 ASP A 56 14.510 30.231 -9.728 1.00 0.25 H new ATOM 0 HB3 ASP A 56 15.825 29.589 -10.692 1.00 0.25 H new ATOM 895 N ALA A 57 14.467 27.201 -9.194 1.00 0.27 N ATOM 896 CA ALA A 57 14.961 25.972 -8.548 1.00 0.35 C ATOM 897 C ALA A 57 14.385 24.747 -9.284 1.00 0.19 C ATOM 898 O ALA A 57 15.091 23.794 -9.520 1.00 0.42 O ATOM 899 CB ALA A 57 14.531 26.110 -7.117 1.00 0.55 C ATOM 0 H ALA A 57 14.111 27.906 -8.549 1.00 0.27 H new ATOM 0 HA ALA A 57 16.041 25.830 -8.589 1.00 0.35 H new ATOM 0 HB1 ALA A 57 14.856 25.236 -6.553 1.00 0.55 H new ATOM 0 HB2 ALA A 57 14.979 27.006 -6.687 1.00 0.55 H new ATOM 0 HB3 ALA A 57 13.445 26.189 -7.069 1.00 0.55 H new ATOM 905 N TRP A 58 13.118 24.788 -9.620 1.00 0.12 N ATOM 906 CA TRP A 58 12.465 23.650 -10.352 1.00 0.22 C ATOM 907 C TRP A 58 12.926 23.677 -11.822 1.00 0.34 C ATOM 908 O TRP A 58 13.378 22.699 -12.379 1.00 0.43 O ATOM 909 CB TRP A 58 10.946 23.844 -10.294 1.00 0.38 C ATOM 910 CG TRP A 58 10.213 22.779 -11.141 1.00 0.52 C ATOM 911 CD1 TRP A 58 10.723 21.668 -11.769 1.00 0.55 C ATOM 912 CD2 TRP A 58 8.894 22.842 -11.383 1.00 0.71 C ATOM 913 NE1 TRP A 58 9.642 21.163 -12.340 1.00 0.73 N ATOM 914 CE2 TRP A 58 8.495 21.795 -12.172 1.00 0.82 C ATOM 915 CE3 TRP A 58 7.987 23.779 -10.943 1.00 0.82 C ATOM 916 CZ2 TRP A 58 7.166 21.679 -12.536 1.00 0.99 C ATOM 917 CZ3 TRP A 58 6.665 23.666 -11.296 1.00 1.02 C ATOM 918 CH2 TRP A 58 6.254 22.621 -12.096 1.00 1.09 C ATOM 0 H TRP A 58 12.498 25.572 -9.416 1.00 0.12 H new ATOM 0 HA TRP A 58 12.737 22.697 -9.899 1.00 0.22 H new ATOM 0 HB2 TRP A 58 10.609 23.785 -9.259 1.00 0.38 H new ATOM 0 HB3 TRP A 58 10.690 24.840 -10.656 1.00 0.38 H new ATOM 0 HD1 TRP A 58 11.739 21.303 -11.791 1.00 0.55 H new ATOM 0 HE1 TRP A 58 9.693 20.309 -12.895 1.00 0.73 H new ATOM 0 HE3 TRP A 58 8.314 24.600 -10.322 1.00 0.82 H new ATOM 0 HZ2 TRP A 58 6.843 20.859 -13.159 1.00 0.99 H new ATOM 0 HZ3 TRP A 58 5.948 24.395 -10.948 1.00 1.02 H new ATOM 0 HH2 TRP A 58 5.215 22.538 -12.380 1.00 1.09 H new ATOM 929 N ASN A 59 12.777 24.805 -12.440 1.00 0.33 N ATOM 930 CA ASN A 59 13.175 25.025 -13.852 1.00 0.41 C ATOM 931 C ASN A 59 14.567 24.386 -14.132 1.00 0.48 C ATOM 932 O ASN A 59 14.781 23.772 -15.159 1.00 0.69 O ATOM 933 CB ASN A 59 13.162 26.505 -13.910 1.00 0.35 C ATOM 934 CG ASN A 59 13.757 27.013 -15.154 1.00 0.24 C ATOM 935 OD1 ASN A 59 13.582 26.473 -16.231 1.00 0.31 O ATOM 936 ND2 ASN A 59 14.464 28.073 -14.970 1.00 0.24 N ATOM 0 H ASN A 59 12.372 25.631 -11.998 1.00 0.33 H new ATOM 0 HA ASN A 59 12.537 24.570 -14.610 1.00 0.41 H new ATOM 0 HB2 ASN A 59 12.135 26.862 -13.827 1.00 0.35 H new ATOM 0 HB3 ASN A 59 13.709 26.906 -13.057 1.00 0.35 H new ATOM 0 HD21 ASN A 59 14.927 28.521 -15.761 1.00 0.24 H new ATOM 0 HD22 ASN A 59 14.562 28.465 -14.033 1.00 0.24 H new ATOM 943 N GLU A 60 15.426 24.602 -13.173 1.00 0.35 N ATOM 944 CA GLU A 60 16.833 24.116 -13.132 1.00 0.53 C ATOM 945 C GLU A 60 16.880 22.599 -13.384 1.00 0.70 C ATOM 946 O GLU A 60 17.762 22.047 -14.010 1.00 0.83 O ATOM 947 CB GLU A 60 17.282 24.464 -11.710 1.00 0.51 C ATOM 948 CG GLU A 60 18.776 24.226 -11.462 1.00 0.80 C ATOM 949 CD GLU A 60 19.027 24.577 -9.998 1.00 1.73 C ATOM 950 OE1 GLU A 60 19.214 25.752 -9.730 1.00 2.03 O ATOM 951 OE2 GLU A 60 18.996 23.626 -9.236 1.00 2.64 O ATOM 0 H GLU A 60 15.180 25.145 -12.346 1.00 0.35 H new ATOM 0 HA GLU A 60 17.474 24.562 -13.893 1.00 0.53 H new ATOM 0 HB2 GLU A 60 17.052 25.511 -11.511 1.00 0.51 H new ATOM 0 HB3 GLU A 60 16.705 23.870 -11.001 1.00 0.51 H new ATOM 0 HG2 GLU A 60 19.044 23.189 -11.665 1.00 0.80 H new ATOM 0 HG3 GLU A 60 19.383 24.847 -12.121 1.00 0.80 H new ATOM 958 N LEU A 61 15.873 21.979 -12.854 1.00 0.68 N ATOM 959 CA LEU A 61 15.679 20.517 -12.953 1.00 0.83 C ATOM 960 C LEU A 61 15.056 20.097 -14.251 1.00 0.91 C ATOM 961 O LEU A 61 15.554 19.196 -14.896 1.00 1.13 O ATOM 962 CB LEU A 61 14.710 20.142 -11.944 1.00 0.70 C ATOM 963 CG LEU A 61 15.107 20.711 -10.624 1.00 0.59 C ATOM 964 CD1 LEU A 61 14.145 20.091 -9.780 1.00 0.45 C ATOM 965 CD2 LEU A 61 16.515 20.330 -10.225 1.00 0.78 C ATOM 0 H LEU A 61 15.139 22.455 -12.329 1.00 0.68 H new ATOM 0 HA LEU A 61 16.660 20.054 -12.848 1.00 0.83 H new ATOM 0 HB2 LEU A 61 13.721 20.505 -12.224 1.00 0.70 H new ATOM 0 HB3 LEU A 61 14.643 19.056 -11.877 1.00 0.70 H new ATOM 0 HG LEU A 61 15.119 21.801 -10.596 1.00 0.59 H new ATOM 0 HD11 LEU A 61 14.303 20.412 -8.751 1.00 0.45 H new ATOM 0 HD12 LEU A 61 13.143 20.377 -10.099 1.00 0.45 H new ATOM 0 HD13 LEU A 61 14.251 19.008 -9.842 1.00 0.45 H new ATOM 0 HD21 LEU A 61 16.751 20.771 -9.257 1.00 0.78 H new ATOM 0 HD22 LEU A 61 16.593 19.245 -10.158 1.00 0.78 H new ATOM 0 HD23 LEU A 61 17.217 20.699 -10.972 1.00 0.78 H new ATOM 977 N LYS A 62 13.976 20.791 -14.537 1.00 0.80 N ATOM 978 CA LYS A 62 13.137 20.595 -15.765 1.00 0.84 C ATOM 979 C LYS A 62 13.930 19.750 -16.755 1.00 1.09 C ATOM 980 O LYS A 62 14.681 20.229 -17.581 1.00 1.32 O ATOM 981 CB LYS A 62 12.707 21.956 -16.268 1.00 0.81 C ATOM 982 CG LYS A 62 11.884 21.718 -17.524 1.00 0.92 C ATOM 983 CD LYS A 62 12.575 22.256 -18.800 1.00 1.08 C ATOM 984 CE LYS A 62 12.572 23.798 -18.895 1.00 1.81 C ATOM 985 NZ LYS A 62 13.689 24.413 -18.087 1.00 3.52 N ATOM 0 H LYS A 62 13.624 21.530 -13.928 1.00 0.80 H new ATOM 0 HA LYS A 62 12.216 20.044 -15.576 1.00 0.84 H new ATOM 0 HB2 LYS A 62 12.119 22.479 -15.514 1.00 0.81 H new ATOM 0 HB3 LYS A 62 13.574 22.580 -16.486 1.00 0.81 H new ATOM 0 HG2 LYS A 62 11.702 20.649 -17.637 1.00 0.92 H new ATOM 0 HG3 LYS A 62 10.911 22.197 -17.413 1.00 0.92 H new ATOM 0 HD2 LYS A 62 13.605 21.900 -18.824 1.00 1.08 H new ATOM 0 HD3 LYS A 62 12.075 21.844 -19.676 1.00 1.08 H new ATOM 0 HE2 LYS A 62 12.671 24.098 -19.938 1.00 1.81 H new ATOM 0 HE3 LYS A 62 11.615 24.182 -18.542 1.00 1.81 H new ATOM 0 HZ1 LYS A 62 13.297 24.846 -17.226 1.00 3.52 H new ATOM 0 HZ2 LYS A 62 14.373 23.676 -17.823 1.00 3.52 H new ATOM 0 HZ3 LYS A 62 14.167 25.142 -18.654 1.00 3.52 H new ATOM 999 N GLY A 63 13.661 18.492 -16.565 1.00 1.07 N ATOM 1000 CA GLY A 63 14.287 17.371 -17.335 1.00 1.31 C ATOM 1001 C GLY A 63 14.730 16.276 -16.327 1.00 1.07 C ATOM 1002 O GLY A 63 14.844 15.128 -16.710 1.00 1.00 O ATOM 0 H GLY A 63 12.992 18.173 -15.865 1.00 1.07 H new ATOM 0 HA2 GLY A 63 13.577 16.961 -18.054 1.00 1.31 H new ATOM 0 HA3 GLY A 63 15.144 17.733 -17.904 1.00 1.31 H new ATOM 1006 N THR A 64 14.979 16.609 -15.068 1.00 1.14 N ATOM 1007 CA THR A 64 15.398 15.559 -14.077 1.00 1.00 C ATOM 1008 C THR A 64 14.310 14.491 -14.101 1.00 0.80 C ATOM 1009 O THR A 64 13.153 14.858 -14.234 1.00 0.89 O ATOM 1010 CB THR A 64 15.469 16.208 -12.674 1.00 0.91 C ATOM 1011 OG1 THR A 64 16.765 15.985 -12.165 1.00 1.19 O ATOM 1012 CG2 THR A 64 14.548 15.577 -11.658 1.00 0.77 C ATOM 0 H THR A 64 14.909 17.555 -14.693 1.00 1.14 H new ATOM 0 HA THR A 64 16.371 15.130 -14.315 1.00 1.00 H new ATOM 0 HB THR A 64 15.193 17.254 -12.808 1.00 0.91 H new ATOM 0 HG1 THR A 64 16.841 16.388 -11.275 1.00 1.19 H new ATOM 0 HG21 THR A 64 14.657 16.088 -10.701 1.00 0.77 H new ATOM 0 HG22 THR A 64 13.516 15.662 -12.000 1.00 0.77 H new ATOM 0 HG23 THR A 64 14.805 14.524 -11.538 1.00 0.77 H new ATOM 1020 N SER A 65 14.635 13.240 -13.950 1.00 0.69 N ATOM 1021 CA SER A 65 13.512 12.260 -14.002 1.00 0.69 C ATOM 1022 C SER A 65 12.617 12.374 -12.787 1.00 0.72 C ATOM 1023 O SER A 65 13.001 12.796 -11.713 1.00 1.03 O ATOM 1024 CB SER A 65 14.011 10.810 -14.064 1.00 0.77 C ATOM 1025 OG SER A 65 12.782 10.089 -14.181 1.00 1.77 O ATOM 0 H SER A 65 15.572 12.865 -13.801 1.00 0.69 H new ATOM 0 HA SER A 65 12.958 12.502 -14.909 1.00 0.69 H new ATOM 0 HB2 SER A 65 14.669 10.639 -14.916 1.00 0.77 H new ATOM 0 HB3 SER A 65 14.567 10.529 -13.170 1.00 0.77 H new ATOM 0 HG SER A 65 12.970 9.129 -14.232 1.00 1.77 H new ATOM 1031 N LYS A 66 11.416 11.953 -13.026 1.00 0.51 N ATOM 1032 CA LYS A 66 10.389 11.980 -11.960 1.00 0.49 C ATOM 1033 C LYS A 66 10.936 11.307 -10.699 1.00 0.46 C ATOM 1034 O LYS A 66 10.645 11.681 -9.583 1.00 0.47 O ATOM 1035 CB LYS A 66 9.190 11.251 -12.526 1.00 0.52 C ATOM 1036 CG LYS A 66 8.659 12.216 -13.630 1.00 0.65 C ATOM 1037 CD LYS A 66 7.221 11.907 -14.097 1.00 0.96 C ATOM 1038 CE LYS A 66 6.573 13.275 -14.430 1.00 1.98 C ATOM 1039 NZ LYS A 66 6.260 13.926 -13.121 1.00 2.05 N ATOM 0 H LYS A 66 11.098 11.587 -13.923 1.00 0.51 H new ATOM 0 HA LYS A 66 10.110 12.993 -11.669 1.00 0.49 H new ATOM 0 HB2 LYS A 66 9.469 10.283 -12.941 1.00 0.52 H new ATOM 0 HB3 LYS A 66 8.437 11.065 -11.761 1.00 0.52 H new ATOM 0 HG2 LYS A 66 8.695 13.238 -13.253 1.00 0.65 H new ATOM 0 HG3 LYS A 66 9.327 12.170 -14.490 1.00 0.65 H new ATOM 0 HD2 LYS A 66 7.227 11.256 -14.971 1.00 0.96 H new ATOM 0 HD3 LYS A 66 6.661 11.390 -13.318 1.00 0.96 H new ATOM 0 HE2 LYS A 66 7.252 13.893 -15.018 1.00 1.98 H new ATOM 0 HE3 LYS A 66 5.668 13.142 -15.023 1.00 1.98 H new ATOM 0 HZ1 LYS A 66 5.278 14.269 -13.130 1.00 2.05 H new ATOM 0 HZ2 LYS A 66 6.378 13.235 -12.353 1.00 2.05 H new ATOM 0 HZ3 LYS A 66 6.905 14.727 -12.969 1.00 2.05 H new ATOM 1053 N GLU A 67 11.763 10.337 -10.969 1.00 0.47 N ATOM 1054 CA GLU A 67 12.398 9.547 -9.888 1.00 0.59 C ATOM 1055 C GLU A 67 13.603 10.311 -9.393 1.00 0.58 C ATOM 1056 O GLU A 67 13.738 10.413 -8.202 1.00 0.69 O ATOM 1057 CB GLU A 67 12.731 8.165 -10.412 1.00 0.66 C ATOM 1058 CG GLU A 67 11.608 7.158 -9.997 1.00 1.00 C ATOM 1059 CD GLU A 67 11.621 6.660 -8.531 1.00 2.22 C ATOM 1060 OE1 GLU A 67 11.205 7.380 -7.635 1.00 3.04 O ATOM 1061 OE2 GLU A 67 12.064 5.537 -8.367 1.00 2.63 O ATOM 0 H GLU A 67 12.028 10.056 -11.913 1.00 0.47 H new ATOM 0 HA GLU A 67 11.729 9.403 -9.039 1.00 0.59 H new ATOM 0 HB2 GLU A 67 12.827 8.191 -11.497 1.00 0.66 H new ATOM 0 HB3 GLU A 67 13.692 7.837 -10.015 1.00 0.66 H new ATOM 0 HG2 GLU A 67 10.643 7.628 -10.187 1.00 1.00 H new ATOM 0 HG3 GLU A 67 11.673 6.289 -10.651 1.00 1.00 H new ATOM 1068 N ASP A 68 14.451 10.832 -10.237 1.00 0.53 N ATOM 1069 CA ASP A 68 15.612 11.584 -9.707 1.00 0.61 C ATOM 1070 C ASP A 68 15.113 12.634 -8.692 1.00 0.62 C ATOM 1071 O ASP A 68 15.654 12.877 -7.633 1.00 0.81 O ATOM 1072 CB ASP A 68 16.232 12.229 -10.903 1.00 0.68 C ATOM 1073 CG ASP A 68 16.797 11.217 -11.885 1.00 0.84 C ATOM 1074 OD1 ASP A 68 17.337 10.200 -11.492 1.00 0.46 O ATOM 1075 OD2 ASP A 68 16.630 11.583 -13.031 1.00 2.08 O ATOM 0 H ASP A 68 14.389 10.769 -11.253 1.00 0.53 H new ATOM 0 HA ASP A 68 16.333 10.954 -9.185 1.00 0.61 H new ATOM 0 HB2 ASP A 68 15.486 12.843 -11.408 1.00 0.68 H new ATOM 0 HB3 ASP A 68 17.028 12.899 -10.578 1.00 0.68 H new ATOM 1080 N ALA A 69 14.035 13.212 -9.132 1.00 0.43 N ATOM 1081 CA ALA A 69 13.291 14.261 -8.397 1.00 0.37 C ATOM 1082 C ALA A 69 12.749 13.655 -7.093 1.00 0.32 C ATOM 1083 O ALA A 69 13.080 14.173 -6.046 1.00 0.31 O ATOM 1084 CB ALA A 69 12.183 14.670 -9.328 1.00 0.25 C ATOM 0 H ALA A 69 13.616 12.980 -10.033 1.00 0.43 H new ATOM 0 HA ALA A 69 13.900 15.122 -8.121 1.00 0.37 H new ATOM 0 HB1 ALA A 69 11.581 15.448 -8.858 1.00 0.25 H new ATOM 0 HB2 ALA A 69 12.610 15.052 -10.255 1.00 0.25 H new ATOM 0 HB3 ALA A 69 11.554 13.807 -9.546 1.00 0.25 H new ATOM 1090 N MET A 70 11.949 12.603 -7.163 1.00 0.31 N ATOM 1091 CA MET A 70 11.389 11.939 -5.971 1.00 0.30 C ATOM 1092 C MET A 70 12.497 11.470 -5.049 1.00 0.36 C ATOM 1093 O MET A 70 12.531 11.813 -3.889 1.00 0.38 O ATOM 1094 CB MET A 70 10.611 10.695 -6.446 1.00 0.23 C ATOM 1095 CG MET A 70 9.213 11.079 -6.926 1.00 0.23 C ATOM 1096 SD MET A 70 7.935 9.806 -7.055 1.00 0.29 S ATOM 1097 CE MET A 70 6.599 10.927 -7.549 1.00 0.55 C ATOM 0 H MET A 70 11.662 12.176 -8.044 1.00 0.31 H new ATOM 0 HA MET A 70 10.750 12.641 -5.435 1.00 0.30 H new ATOM 0 HB2 MET A 70 11.156 10.206 -7.254 1.00 0.23 H new ATOM 0 HB3 MET A 70 10.535 9.975 -5.631 1.00 0.23 H new ATOM 0 HG2 MET A 70 8.838 11.852 -6.255 1.00 0.23 H new ATOM 0 HG3 MET A 70 9.319 11.536 -7.910 1.00 0.23 H new ATOM 0 HE1 MET A 70 5.659 10.377 -7.589 1.00 0.55 H new ATOM 0 HE2 MET A 70 6.516 11.736 -6.823 1.00 0.55 H new ATOM 0 HE3 MET A 70 6.818 11.343 -8.532 1.00 0.55 H new ATOM 1107 N LYS A 71 13.361 10.678 -5.600 1.00 0.42 N ATOM 1108 CA LYS A 71 14.518 10.128 -4.855 1.00 0.49 C ATOM 1109 C LYS A 71 15.176 11.326 -4.162 1.00 0.56 C ATOM 1110 O LYS A 71 15.062 11.434 -2.956 1.00 0.64 O ATOM 1111 CB LYS A 71 15.423 9.446 -5.895 1.00 0.49 C ATOM 1112 CG LYS A 71 14.686 8.250 -6.534 1.00 0.57 C ATOM 1113 CD LYS A 71 14.551 7.118 -5.498 1.00 2.07 C ATOM 1114 CE LYS A 71 13.823 5.978 -6.168 1.00 3.11 C ATOM 1115 NZ LYS A 71 14.064 4.771 -5.329 1.00 4.20 N ATOM 0 H LYS A 71 13.311 10.377 -6.573 1.00 0.42 H new ATOM 0 HA LYS A 71 14.270 9.386 -4.096 1.00 0.49 H new ATOM 0 HB2 LYS A 71 15.708 10.162 -6.666 1.00 0.49 H new ATOM 0 HB3 LYS A 71 16.343 9.105 -5.420 1.00 0.49 H new ATOM 0 HG2 LYS A 71 13.700 8.560 -6.881 1.00 0.57 H new ATOM 0 HG3 LYS A 71 15.234 7.895 -7.407 1.00 0.57 H new ATOM 0 HD2 LYS A 71 15.533 6.796 -5.151 1.00 2.07 H new ATOM 0 HD3 LYS A 71 14.001 7.463 -4.622 1.00 2.07 H new ATOM 0 HE2 LYS A 71 12.757 6.190 -6.245 1.00 3.11 H new ATOM 0 HE3 LYS A 71 14.191 5.825 -7.182 1.00 3.11 H new ATOM 0 HZ1 LYS A 71 13.580 3.953 -5.751 1.00 4.20 H new ATOM 0 HZ2 LYS A 71 15.085 4.581 -5.279 1.00 4.20 H new ATOM 0 HZ3 LYS A 71 13.695 4.935 -4.371 1.00 4.20 H new ATOM 1129 N ALA A 72 15.810 12.190 -4.930 1.00 0.55 N ATOM 1130 CA ALA A 72 16.481 13.395 -4.351 1.00 0.60 C ATOM 1131 C ALA A 72 15.657 13.901 -3.172 1.00 0.49 C ATOM 1132 O ALA A 72 16.110 13.907 -2.048 1.00 0.42 O ATOM 1133 CB ALA A 72 16.507 14.444 -5.469 1.00 0.80 C ATOM 0 H ALA A 72 15.889 12.106 -5.943 1.00 0.55 H new ATOM 0 HA ALA A 72 17.488 13.177 -3.996 1.00 0.60 H new ATOM 0 HB1 ALA A 72 16.988 15.352 -5.105 1.00 0.80 H new ATOM 0 HB2 ALA A 72 17.065 14.054 -6.321 1.00 0.80 H new ATOM 0 HB3 ALA A 72 15.487 14.672 -5.777 1.00 0.80 H new ATOM 1139 N TYR A 73 14.455 14.291 -3.512 1.00 0.47 N ATOM 1140 CA TYR A 73 13.476 14.820 -2.527 1.00 0.41 C ATOM 1141 C TYR A 73 13.532 14.044 -1.200 1.00 0.27 C ATOM 1142 O TYR A 73 14.001 14.571 -0.208 1.00 0.19 O ATOM 1143 CB TYR A 73 12.128 14.645 -3.242 1.00 0.40 C ATOM 1144 CG TYR A 73 10.979 15.403 -2.651 1.00 0.36 C ATOM 1145 CD1 TYR A 73 10.760 16.657 -3.110 1.00 1.00 C ATOM 1146 CD2 TYR A 73 10.168 14.888 -1.681 1.00 0.77 C ATOM 1147 CE1 TYR A 73 9.744 17.412 -2.606 1.00 1.02 C ATOM 1148 CE2 TYR A 73 9.149 15.654 -1.190 1.00 0.76 C ATOM 1149 CZ TYR A 73 8.925 16.925 -1.641 1.00 0.41 C ATOM 1150 OH TYR A 73 7.914 17.733 -1.165 1.00 0.46 O ATOM 0 H TYR A 73 14.104 14.261 -4.469 1.00 0.47 H new ATOM 0 HA TYR A 73 13.670 15.855 -2.245 1.00 0.41 H new ATOM 0 HB2 TYR A 73 12.246 14.951 -4.281 1.00 0.40 H new ATOM 0 HB3 TYR A 73 11.876 13.585 -3.249 1.00 0.40 H new ATOM 0 HD1 TYR A 73 11.396 17.063 -3.883 1.00 1.00 H new ATOM 0 HD2 TYR A 73 10.330 13.888 -1.307 1.00 0.77 H new ATOM 0 HE1 TYR A 73 9.589 18.413 -2.980 1.00 1.02 H new ATOM 0 HE2 TYR A 73 8.504 15.245 -0.426 1.00 0.76 H new ATOM 0 HH TYR A 73 7.170 17.736 -1.803 1.00 0.46 H new ATOM 1160 N ILE A 74 13.092 12.808 -1.226 1.00 0.47 N ATOM 1161 CA ILE A 74 13.100 11.989 0.039 1.00 0.43 C ATOM 1162 C ILE A 74 14.524 11.983 0.582 1.00 0.43 C ATOM 1163 O ILE A 74 14.812 12.498 1.647 1.00 0.45 O ATOM 1164 CB ILE A 74 12.853 10.424 -0.110 1.00 0.43 C ATOM 1165 CG1 ILE A 74 11.858 9.965 -1.177 1.00 0.43 C ATOM 1166 CG2 ILE A 74 12.438 9.962 1.302 1.00 0.45 C ATOM 1167 CD1 ILE A 74 12.230 8.505 -1.567 1.00 0.52 C ATOM 0 H ILE A 74 12.732 12.332 -2.053 1.00 0.47 H new ATOM 0 HA ILE A 74 12.306 12.444 0.631 1.00 0.43 H new ATOM 0 HB ILE A 74 13.768 9.964 -0.483 1.00 0.43 H new ATOM 0 HG12 ILE A 74 10.838 10.012 -0.795 1.00 0.43 H new ATOM 0 HG13 ILE A 74 11.902 10.618 -2.049 1.00 0.43 H new ATOM 0 HG21 ILE A 74 12.247 8.889 1.292 1.00 0.45 H new ATOM 0 HG22 ILE A 74 13.240 10.181 2.007 1.00 0.45 H new ATOM 0 HG23 ILE A 74 11.533 10.489 1.606 1.00 0.45 H new ATOM 0 HD11 ILE A 74 11.539 8.144 -2.329 1.00 0.52 H new ATOM 0 HD12 ILE A 74 13.247 8.481 -1.959 1.00 0.52 H new ATOM 0 HD13 ILE A 74 12.166 7.866 -0.687 1.00 0.52 H new ATOM 1179 N ASP A 75 15.360 11.381 -0.227 1.00 0.42 N ATOM 1180 CA ASP A 75 16.806 11.199 0.023 1.00 0.41 C ATOM 1181 C ASP A 75 17.459 12.412 0.746 1.00 0.44 C ATOM 1182 O ASP A 75 18.378 12.274 1.532 1.00 0.50 O ATOM 1183 CB ASP A 75 17.389 10.736 -1.364 1.00 0.42 C ATOM 1184 CG ASP A 75 16.667 9.525 -2.010 1.00 0.82 C ATOM 1185 OD1 ASP A 75 15.772 8.965 -1.397 1.00 1.47 O ATOM 1186 OD2 ASP A 75 17.071 9.211 -3.121 1.00 1.45 O ATOM 0 H ASP A 75 15.061 10.982 -1.117 1.00 0.42 H new ATOM 0 HA ASP A 75 17.043 10.432 0.761 1.00 0.41 H new ATOM 0 HB2 ASP A 75 17.347 11.576 -2.057 1.00 0.42 H new ATOM 0 HB3 ASP A 75 18.441 10.484 -1.232 1.00 0.42 H new ATOM 1191 N LYS A 76 16.929 13.567 0.443 1.00 0.47 N ATOM 1192 CA LYS A 76 17.408 14.871 1.028 1.00 0.57 C ATOM 1193 C LYS A 76 16.560 15.298 2.236 1.00 0.60 C ATOM 1194 O LYS A 76 17.019 15.939 3.165 1.00 0.67 O ATOM 1195 CB LYS A 76 17.195 15.967 -0.049 1.00 0.77 C ATOM 1196 CG LYS A 76 18.567 16.523 -0.462 1.00 0.51 C ATOM 1197 CD LYS A 76 19.289 15.367 -1.224 1.00 1.44 C ATOM 1198 CE LYS A 76 20.673 15.756 -1.690 1.00 1.86 C ATOM 1199 NZ LYS A 76 21.436 16.143 -0.473 1.00 1.48 N ATOM 0 H LYS A 76 16.153 13.671 -0.211 1.00 0.47 H new ATOM 0 HA LYS A 76 18.447 14.748 1.334 1.00 0.57 H new ATOM 0 HB2 LYS A 76 16.679 15.551 -0.915 1.00 0.77 H new ATOM 0 HB3 LYS A 76 16.566 16.766 0.344 1.00 0.77 H new ATOM 0 HG2 LYS A 76 18.457 17.401 -1.099 1.00 0.51 H new ATOM 0 HG3 LYS A 76 19.141 16.833 0.411 1.00 0.51 H new ATOM 0 HD2 LYS A 76 19.360 14.496 -0.573 1.00 1.44 H new ATOM 0 HD3 LYS A 76 18.689 15.073 -2.085 1.00 1.44 H new ATOM 0 HE2 LYS A 76 21.157 14.925 -2.203 1.00 1.86 H new ATOM 0 HE3 LYS A 76 20.626 16.584 -2.398 1.00 1.86 H new ATOM 0 HZ1 LYS A 76 22.396 16.437 -0.744 1.00 1.48 H new ATOM 0 HZ2 LYS A 76 20.954 16.932 0.003 1.00 1.48 H new ATOM 0 HZ3 LYS A 76 21.493 15.331 0.174 1.00 1.48 H new ATOM 1213 N VAL A 77 15.306 14.957 2.225 1.00 0.59 N ATOM 1214 CA VAL A 77 14.442 15.324 3.337 1.00 0.63 C ATOM 1215 C VAL A 77 15.034 14.790 4.624 1.00 0.72 C ATOM 1216 O VAL A 77 15.029 15.508 5.586 1.00 0.79 O ATOM 1217 CB VAL A 77 13.075 14.815 2.971 1.00 0.49 C ATOM 1218 CG1 VAL A 77 12.287 14.621 4.192 1.00 0.67 C ATOM 1219 CG2 VAL A 77 12.437 15.920 2.130 1.00 0.14 C ATOM 0 H VAL A 77 14.852 14.433 1.477 1.00 0.59 H new ATOM 0 HA VAL A 77 14.356 16.396 3.516 1.00 0.63 H new ATOM 0 HB VAL A 77 13.122 13.867 2.435 1.00 0.49 H new ATOM 0 HG11 VAL A 77 11.295 14.252 3.930 1.00 0.67 H new ATOM 0 HG12 VAL A 77 12.786 13.896 4.836 1.00 0.67 H new ATOM 0 HG13 VAL A 77 12.193 15.570 4.719 1.00 0.67 H new ATOM 0 HG21 VAL A 77 11.435 15.615 1.828 1.00 0.14 H new ATOM 0 HG22 VAL A 77 12.375 16.835 2.718 1.00 0.14 H new ATOM 0 HG23 VAL A 77 13.045 16.099 1.243 1.00 0.14 H new ATOM 1229 N GLU A 78 15.514 13.578 4.660 1.00 0.75 N ATOM 1230 CA GLU A 78 16.111 13.087 5.961 1.00 0.83 C ATOM 1231 C GLU A 78 17.234 14.070 6.441 1.00 0.77 C ATOM 1232 O GLU A 78 17.522 14.177 7.620 1.00 0.83 O ATOM 1233 CB GLU A 78 16.617 11.632 5.802 1.00 1.22 C ATOM 1234 CG GLU A 78 15.447 10.584 5.798 1.00 2.40 C ATOM 1235 CD GLU A 78 14.652 10.550 7.111 1.00 2.73 C ATOM 1236 OE1 GLU A 78 15.226 10.170 8.122 1.00 2.38 O ATOM 1237 OE2 GLU A 78 13.491 10.922 7.007 1.00 3.59 O ATOM 0 H GLU A 78 15.526 12.918 3.883 1.00 0.75 H new ATOM 0 HA GLU A 78 15.345 13.073 6.736 1.00 0.83 H new ATOM 0 HB2 GLU A 78 17.180 11.546 4.873 1.00 1.22 H new ATOM 0 HB3 GLU A 78 17.306 11.400 6.614 1.00 1.22 H new ATOM 0 HG2 GLU A 78 14.768 10.813 4.977 1.00 2.40 H new ATOM 0 HG3 GLU A 78 15.858 9.593 5.605 1.00 2.40 H new ATOM 1244 N GLU A 79 17.825 14.764 5.486 1.00 0.80 N ATOM 1245 CA GLU A 79 18.917 15.763 5.763 1.00 0.90 C ATOM 1246 C GLU A 79 18.131 16.930 6.374 1.00 0.72 C ATOM 1247 O GLU A 79 18.440 17.386 7.454 1.00 0.69 O ATOM 1248 CB GLU A 79 19.659 16.233 4.461 1.00 1.12 C ATOM 1249 CG GLU A 79 20.353 15.039 3.675 1.00 1.50 C ATOM 1250 CD GLU A 79 21.011 15.517 2.359 1.00 1.90 C ATOM 1251 OE1 GLU A 79 21.002 16.705 2.076 1.00 1.49 O ATOM 1252 OE2 GLU A 79 21.535 14.714 1.611 1.00 3.12 O ATOM 0 H GLU A 79 17.587 14.675 4.498 1.00 0.80 H new ATOM 0 HA GLU A 79 19.705 15.355 6.396 1.00 0.90 H new ATOM 0 HB2 GLU A 79 18.946 16.728 3.802 1.00 1.12 H new ATOM 0 HB3 GLU A 79 20.414 16.973 4.727 1.00 1.12 H new ATOM 0 HG2 GLU A 79 21.108 14.577 4.311 1.00 1.50 H new ATOM 0 HG3 GLU A 79 19.611 14.272 3.452 1.00 1.50 H new ATOM 1259 N LEU A 80 17.130 17.437 5.706 1.00 0.61 N ATOM 1260 CA LEU A 80 16.345 18.562 6.307 1.00 0.61 C ATOM 1261 C LEU A 80 15.873 18.171 7.687 1.00 0.62 C ATOM 1262 O LEU A 80 16.048 18.849 8.666 1.00 0.94 O ATOM 1263 CB LEU A 80 15.255 18.849 5.377 1.00 0.47 C ATOM 1264 CG LEU A 80 15.929 19.148 4.018 1.00 0.53 C ATOM 1265 CD1 LEU A 80 14.879 19.799 3.304 1.00 0.44 C ATOM 1266 CD2 LEU A 80 17.094 20.151 4.110 1.00 0.77 C ATOM 0 H LEU A 80 16.822 17.129 4.784 1.00 0.61 H new ATOM 0 HA LEU A 80 16.939 19.466 6.445 1.00 0.61 H new ATOM 0 HB2 LEU A 80 14.575 18.001 5.298 1.00 0.47 H new ATOM 0 HB3 LEU A 80 14.665 19.700 5.717 1.00 0.47 H new ATOM 0 HG LEU A 80 16.342 18.239 3.582 1.00 0.53 H new ATOM 0 HD11 LEU A 80 15.229 20.069 2.308 1.00 0.44 H new ATOM 0 HD12 LEU A 80 14.026 19.126 3.219 1.00 0.44 H new ATOM 0 HD13 LEU A 80 14.579 20.700 3.839 1.00 0.44 H new ATOM 0 HD21 LEU A 80 17.516 20.310 3.118 1.00 0.77 H new ATOM 0 HD22 LEU A 80 16.728 21.099 4.505 1.00 0.77 H new ATOM 0 HD23 LEU A 80 17.864 19.755 4.773 1.00 0.77 H new ATOM 1278 N LYS A 81 15.274 17.046 7.747 1.00 0.34 N ATOM 1279 CA LYS A 81 14.744 16.486 9.021 1.00 0.49 C ATOM 1280 C LYS A 81 15.843 16.491 10.096 1.00 0.55 C ATOM 1281 O LYS A 81 15.594 16.461 11.280 1.00 0.75 O ATOM 1282 CB LYS A 81 14.444 15.071 8.654 1.00 0.46 C ATOM 1283 CG LYS A 81 13.373 14.470 9.566 1.00 0.67 C ATOM 1284 CD LYS A 81 12.926 13.169 8.872 1.00 0.70 C ATOM 1285 CE LYS A 81 11.700 12.556 9.519 1.00 1.38 C ATOM 1286 NZ LYS A 81 11.239 11.502 8.565 1.00 1.17 N ATOM 0 H LYS A 81 15.114 16.450 6.935 1.00 0.34 H new ATOM 0 HA LYS A 81 13.893 17.042 9.414 1.00 0.49 H new ATOM 0 HB2 LYS A 81 14.108 15.026 7.618 1.00 0.46 H new ATOM 0 HB3 LYS A 81 15.355 14.476 8.720 1.00 0.46 H new ATOM 0 HG2 LYS A 81 13.772 14.268 10.560 1.00 0.67 H new ATOM 0 HG3 LYS A 81 12.535 15.156 9.692 1.00 0.67 H new ATOM 0 HD2 LYS A 81 12.714 13.375 7.823 1.00 0.70 H new ATOM 0 HD3 LYS A 81 13.744 12.449 8.896 1.00 0.70 H new ATOM 0 HE2 LYS A 81 11.941 12.128 10.492 1.00 1.38 H new ATOM 0 HE3 LYS A 81 10.925 13.305 9.683 1.00 1.38 H new ATOM 0 HZ1 LYS A 81 10.337 11.792 8.137 1.00 1.17 H new ATOM 0 HZ2 LYS A 81 11.951 11.374 7.818 1.00 1.17 H new ATOM 0 HZ3 LYS A 81 11.108 10.605 9.075 1.00 1.17 H new ATOM 1300 N LYS A 82 17.062 16.555 9.649 1.00 0.52 N ATOM 1301 CA LYS A 82 18.217 16.557 10.595 1.00 0.69 C ATOM 1302 C LYS A 82 18.664 17.977 10.914 1.00 0.91 C ATOM 1303 O LYS A 82 18.902 18.351 12.040 1.00 1.15 O ATOM 1304 CB LYS A 82 19.263 15.760 9.819 1.00 0.67 C ATOM 1305 CG LYS A 82 20.590 16.479 9.537 1.00 2.01 C ATOM 1306 CD LYS A 82 21.663 15.438 9.100 1.00 2.19 C ATOM 1307 CE LYS A 82 21.711 14.230 10.061 1.00 1.47 C ATOM 1308 NZ LYS A 82 21.503 14.730 11.460 1.00 2.74 N ATOM 0 H LYS A 82 17.314 16.607 8.662 1.00 0.52 H new ATOM 0 HA LYS A 82 18.002 16.127 11.573 1.00 0.69 H new ATOM 0 HB2 LYS A 82 19.479 14.847 10.374 1.00 0.67 H new ATOM 0 HB3 LYS A 82 18.827 15.459 8.866 1.00 0.67 H new ATOM 0 HG2 LYS A 82 20.452 17.225 8.755 1.00 2.01 H new ATOM 0 HG3 LYS A 82 20.925 17.010 10.428 1.00 2.01 H new ATOM 0 HD2 LYS A 82 21.444 15.091 8.090 1.00 2.19 H new ATOM 0 HD3 LYS A 82 22.642 15.916 9.067 1.00 2.19 H new ATOM 0 HE2 LYS A 82 20.940 13.506 9.799 1.00 1.47 H new ATOM 0 HE3 LYS A 82 22.670 13.718 9.980 1.00 1.47 H new ATOM 0 HZ1 LYS A 82 21.963 14.083 12.132 1.00 2.74 H new ATOM 0 HZ2 LYS A 82 21.917 15.679 11.555 1.00 2.74 H new ATOM 0 HZ3 LYS A 82 20.484 14.775 11.665 1.00 2.74 H new ATOM 1322 N LYS A 83 18.783 18.703 9.855 1.00 0.87 N ATOM 1323 CA LYS A 83 19.197 20.126 9.887 1.00 1.06 C ATOM 1324 C LYS A 83 18.152 21.016 10.606 1.00 1.11 C ATOM 1325 O LYS A 83 18.450 21.903 11.373 1.00 1.29 O ATOM 1326 CB LYS A 83 19.328 20.520 8.417 1.00 1.04 C ATOM 1327 CG LYS A 83 20.173 21.796 8.304 1.00 1.33 C ATOM 1328 CD LYS A 83 20.427 22.128 6.818 1.00 1.60 C ATOM 1329 CE LYS A 83 21.363 21.111 6.162 1.00 2.92 C ATOM 1330 NZ LYS A 83 21.598 21.604 4.775 1.00 3.43 N ATOM 0 H LYS A 83 18.601 18.351 8.915 1.00 0.87 H new ATOM 0 HA LYS A 83 20.125 20.262 10.443 1.00 1.06 H new ATOM 0 HB2 LYS A 83 19.793 19.712 7.853 1.00 1.04 H new ATOM 0 HB3 LYS A 83 18.341 20.685 7.984 1.00 1.04 H new ATOM 0 HG2 LYS A 83 19.660 22.627 8.789 1.00 1.33 H new ATOM 0 HG3 LYS A 83 21.122 21.661 8.823 1.00 1.33 H new ATOM 0 HD2 LYS A 83 19.478 22.147 6.282 1.00 1.60 H new ATOM 0 HD3 LYS A 83 20.859 23.125 6.737 1.00 1.60 H new ATOM 0 HE2 LYS A 83 22.301 21.032 6.712 1.00 2.92 H new ATOM 0 HE3 LYS A 83 20.915 20.118 6.152 1.00 2.92 H new ATOM 0 HZ1 LYS A 83 22.481 21.196 4.406 1.00 3.43 H new ATOM 0 HZ2 LYS A 83 20.804 21.320 4.166 1.00 3.43 H new ATOM 0 HZ3 LYS A 83 21.673 22.641 4.783 1.00 3.43 H new ATOM 1344 N TYR A 84 16.942 20.699 10.281 1.00 0.99 N ATOM 1345 CA TYR A 84 15.683 21.339 10.777 1.00 1.02 C ATOM 1346 C TYR A 84 14.865 20.601 11.877 1.00 1.03 C ATOM 1347 O TYR A 84 14.491 21.278 12.816 1.00 1.12 O ATOM 1348 CB TYR A 84 14.883 21.614 9.440 1.00 0.94 C ATOM 1349 CG TYR A 84 15.834 22.454 8.554 1.00 1.00 C ATOM 1350 CD1 TYR A 84 16.396 23.570 9.137 1.00 1.37 C ATOM 1351 CD2 TYR A 84 16.183 22.138 7.236 1.00 1.72 C ATOM 1352 CE1 TYR A 84 17.281 24.356 8.464 1.00 1.35 C ATOM 1353 CE2 TYR A 84 17.086 22.949 6.566 1.00 1.84 C ATOM 1354 CZ TYR A 84 17.633 24.058 7.181 1.00 1.17 C ATOM 1355 OH TYR A 84 18.527 24.880 6.539 1.00 1.26 O ATOM 0 H TYR A 84 16.751 19.943 9.623 1.00 0.99 H new ATOM 0 HA TYR A 84 15.917 22.233 11.354 1.00 1.02 H new ATOM 0 HB2 TYR A 84 14.610 20.681 8.947 1.00 0.94 H new ATOM 0 HB3 TYR A 84 13.956 22.152 9.641 1.00 0.94 H new ATOM 0 HD1 TYR A 84 16.128 23.827 10.151 1.00 1.37 H new ATOM 0 HD2 TYR A 84 15.755 21.275 6.748 1.00 1.72 H new ATOM 0 HE1 TYR A 84 17.707 25.221 8.950 1.00 1.35 H new ATOM 0 HE2 TYR A 84 17.365 22.711 5.550 1.00 1.84 H new ATOM 0 HH TYR A 84 18.868 24.430 5.738 1.00 1.26 H new ATOM 1365 N GLY A 85 14.610 19.324 11.744 1.00 1.04 N ATOM 1366 CA GLY A 85 13.828 18.555 12.790 1.00 1.20 C ATOM 1367 C GLY A 85 12.437 18.174 12.303 1.00 0.91 C ATOM 1368 O GLY A 85 11.887 18.870 11.479 1.00 1.27 O ATOM 0 H GLY A 85 14.911 18.764 10.947 1.00 1.04 H new ATOM 0 HA2 GLY A 85 14.376 17.653 13.060 1.00 1.20 H new ATOM 0 HA3 GLY A 85 13.742 19.159 13.694 1.00 1.20 H new ATOM 1372 N ILE A 86 11.857 17.121 12.801 1.00 0.84 N ATOM 1373 CA ILE A 86 10.543 16.669 12.400 1.00 1.47 C ATOM 1374 C ILE A 86 9.550 17.101 13.498 1.00 1.50 C ATOM 1375 O ILE A 86 8.600 17.754 13.107 1.00 2.32 O ATOM 1376 CB ILE A 86 10.770 15.143 12.138 1.00 1.94 C ATOM 1377 CG1 ILE A 86 9.458 14.535 12.065 1.00 1.94 C ATOM 1378 CG2 ILE A 86 11.568 14.408 13.271 1.00 2.17 C ATOM 1379 CD1 ILE A 86 8.611 14.959 10.831 1.00 2.66 C ATOM 1380 OXT ILE A 86 9.761 16.781 14.655 1.00 1.30 O ATOM 0 H ILE A 86 12.289 16.534 13.515 1.00 0.84 H new ATOM 0 HA ILE A 86 10.094 17.088 11.499 1.00 1.47 H new ATOM 0 HB ILE A 86 11.360 15.049 11.226 1.00 1.94 H new ATOM 0 HG12 ILE A 86 9.575 13.451 12.053 1.00 1.94 H new ATOM 0 HG13 ILE A 86 8.906 14.786 12.971 1.00 1.94 H new ATOM 0 HG21 ILE A 86 11.682 13.355 13.012 1.00 2.17 H new ATOM 0 HG22 ILE A 86 12.552 14.864 13.377 1.00 2.17 H new ATOM 0 HG23 ILE A 86 11.025 14.493 14.212 1.00 2.17 H new ATOM 0 HD11 ILE A 86 7.646 14.454 10.861 1.00 2.66 H new ATOM 0 HD12 ILE A 86 8.457 16.038 10.849 1.00 2.66 H new ATOM 0 HD13 ILE A 86 9.136 14.683 9.917 1.00 2.66 H new TER 1392 ILE A 86