USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 79 ASN : amide:sc= -3.06! C(o=-3.5!,f=-13!) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.412 K(o=-3.5,f=-4.8) USER MOD Set 2.1: A 73 CYS SG : rot 28:sc= 0.149 USER MOD Set 2.2: A 116 HIS : no HD1:sc= -1.46 K(o=-1.3,f=-3.5!) USER MOD Set 3.1: A 49 GLN : amide:sc= 0.109 X(o=-1.2,f=-1.1) USER MOD Set 3.2: A 64 ASN : amide:sc= -1.28 X(o=-1.2,f=-1.1!) USER MOD Set 4.1: A 16 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 18 LYS NZ :NH3+ -128:sc= 0.316 (180deg=-2.14!) USER MOD Single : A 17 SER OG : rot 37:sc= 0.659 USER MOD Single : A 19 LYS NZ :NH3+ 151:sc=-0.00189 (180deg=-0.886) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -1.29 (180deg=-2.47!) USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.63) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.782 USER MOD Single : A 39 HIS : no HE2:sc= -3.53 K(o=-3.5,f=-8.4!) USER MOD Single : A 41 LYS NZ :NH3+ -124:sc= -0.869 (180deg=-2.77!) USER MOD Single : A 43 THR OG1 : rot -60:sc= 0.339 USER MOD Single : A 45 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.7!) USER MOD Single : A 46 GLN : amide:sc= -0.324 K(o=-0.32,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 120:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 10:sc= 0.375 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00285) USER MOD Single : A 95 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -142:sc= 0 (180deg=-0.0235) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -144:sc= -0.222 (180deg=-0.778) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 109 SER OG : rot 97:sc= 1.3 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00598) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 0.276 6.081 -12.384 1.00 0.00 N ATOM 97 CA ALA A 14 0.261 6.420 -10.967 1.00 0.00 C ATOM 98 C ALA A 14 0.868 7.797 -10.725 1.00 0.00 C ATOM 99 O ALA A 14 2.060 8.010 -10.951 1.00 0.00 O ATOM 100 CB ALA A 14 1.006 5.364 -10.164 1.00 0.00 C ATOM 0 HA ALA A 14 -0.777 6.447 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.987 5.630 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.526 4.395 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.040 5.309 -10.506 1.00 0.00 H new ATOM 106 N PHE A 15 0.042 8.731 -10.264 1.00 0.00 N ATOM 107 CA PHE A 15 0.498 10.089 -9.993 1.00 0.00 C ATOM 108 C PHE A 15 1.667 10.085 -9.013 1.00 0.00 C ATOM 109 O PHE A 15 2.693 10.722 -9.250 1.00 0.00 O ATOM 110 CB PHE A 15 -0.649 10.933 -9.433 1.00 0.00 C ATOM 111 CG PHE A 15 -1.408 10.255 -8.328 1.00 0.00 C ATOM 112 CD1 PHE A 15 -2.450 9.388 -8.615 1.00 0.00 C ATOM 113 CD2 PHE A 15 -1.078 10.484 -7.002 1.00 0.00 C ATOM 114 CE1 PHE A 15 -3.150 8.764 -7.600 1.00 0.00 C ATOM 115 CE2 PHE A 15 -1.774 9.863 -5.983 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.811 9.001 -6.282 1.00 0.00 C ATOM 0 H PHE A 15 -0.947 8.572 -10.070 1.00 0.00 H new ATOM 0 HA PHE A 15 0.836 10.526 -10.933 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.248 11.876 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.339 11.176 -10.241 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.718 9.198 -9.644 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.267 11.156 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.961 8.092 -7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.508 10.051 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.356 8.513 -5.487 1.00 0.00 H new ATOM 126 N TYR A 16 1.503 9.363 -7.910 1.00 0.00 N ATOM 127 CA TYR A 16 2.542 9.277 -6.891 1.00 0.00 C ATOM 128 C TYR A 16 3.352 7.994 -7.045 1.00 0.00 C ATOM 129 O TYR A 16 2.815 6.891 -6.945 1.00 0.00 O ATOM 130 CB TYR A 16 1.922 9.337 -5.494 1.00 0.00 C ATOM 131 CG TYR A 16 2.937 9.523 -4.388 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.749 10.650 -4.346 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.083 8.573 -3.385 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.678 10.823 -3.338 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.008 8.738 -2.373 1.00 0.00 C ATOM 136 CZ TYR A 16 4.804 9.865 -2.354 1.00 0.00 C ATOM 137 OH TYR A 16 5.727 10.035 -1.348 1.00 0.00 O ATOM 0 H TYR A 16 0.660 8.829 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 16 3.213 10.126 -7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.205 10.157 -5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.365 8.418 -5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.652 11.403 -5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.462 7.690 -3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.302 11.704 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.108 7.989 -1.601 1.00 0.00 H new ATOM 0 HH TYR A 16 5.853 10.992 -1.178 1.00 0.00 H new ATOM 147 N SER A 17 4.650 8.147 -7.290 1.00 0.00 N ATOM 148 CA SER A 17 5.536 7.001 -7.461 1.00 0.00 C ATOM 149 C SER A 17 6.816 7.178 -6.650 1.00 0.00 C ATOM 150 O SER A 17 7.664 8.008 -6.979 1.00 0.00 O ATOM 151 CB SER A 17 5.878 6.811 -8.940 1.00 0.00 C ATOM 152 OG SER A 17 6.514 7.962 -9.469 1.00 0.00 O ATOM 0 H SER A 17 5.111 9.053 -7.374 1.00 0.00 H new ATOM 0 HA SER A 17 5.017 6.114 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.530 5.945 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.968 6.603 -9.503 1.00 0.00 H new ATOM 0 HG SER A 17 7.108 8.348 -8.792 1.00 0.00 H new ATOM 158 N LYS A 18 6.949 6.391 -5.588 1.00 0.00 N ATOM 159 CA LYS A 18 8.125 6.457 -4.729 1.00 0.00 C ATOM 160 C LYS A 18 8.574 5.060 -4.312 1.00 0.00 C ATOM 161 O LYS A 18 7.753 4.212 -3.961 1.00 0.00 O ATOM 162 CB LYS A 18 7.828 7.301 -3.487 1.00 0.00 C ATOM 163 CG LYS A 18 9.075 7.800 -2.778 1.00 0.00 C ATOM 164 CD LYS A 18 9.686 8.991 -3.498 1.00 0.00 C ATOM 165 CE LYS A 18 8.961 10.282 -3.153 1.00 0.00 C ATOM 166 NZ LYS A 18 7.835 10.553 -4.090 1.00 0.00 N ATOM 0 H LYS A 18 6.256 5.699 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 18 8.931 6.925 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.218 8.157 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.236 6.709 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.825 8.081 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.807 6.995 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.738 9.080 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.646 8.826 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.579 10.223 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.666 11.113 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.924 11.517 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.862 9.868 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.932 10.464 -3.582 1.00 0.00 H new ATOM 180 N LYS A 19 9.881 4.827 -4.351 1.00 0.00 N ATOM 181 CA LYS A 19 10.440 3.534 -3.974 1.00 0.00 C ATOM 182 C LYS A 19 10.419 3.352 -2.460 1.00 0.00 C ATOM 183 O LYS A 19 10.709 4.285 -1.709 1.00 0.00 O ATOM 184 CB LYS A 19 11.873 3.404 -4.494 1.00 0.00 C ATOM 185 CG LYS A 19 11.956 3.077 -5.976 1.00 0.00 C ATOM 186 CD LYS A 19 13.370 2.707 -6.387 1.00 0.00 C ATOM 187 CE LYS A 19 14.171 3.933 -6.799 1.00 0.00 C ATOM 188 NZ LYS A 19 14.750 4.638 -5.622 1.00 0.00 N ATOM 0 H LYS A 19 10.574 5.517 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 19 9.824 2.755 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.405 4.337 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.386 2.625 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.282 2.252 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.620 3.935 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.871 2.205 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.336 1.999 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.973 3.633 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.528 4.618 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.630 5.117 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.070 5.341 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.956 3.949 -4.871 1.00 0.00 H new ATOM 202 N CYS A 20 10.076 2.148 -2.018 1.00 0.00 N ATOM 203 CA CYS A 20 10.018 1.844 -0.592 1.00 0.00 C ATOM 204 C CYS A 20 10.000 0.337 -0.358 1.00 0.00 C ATOM 205 O CYS A 20 9.780 -0.444 -1.284 1.00 0.00 O ATOM 206 CB CYS A 20 8.781 2.486 0.037 1.00 0.00 C ATOM 207 SG CYS A 20 7.218 1.950 -0.696 1.00 0.00 S ATOM 0 H CYS A 20 9.834 1.366 -2.626 1.00 0.00 H new ATOM 0 HA CYS A 20 10.911 2.255 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.768 2.257 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.861 3.569 -0.055 1.00 0.00 H new ATOM 0 HG CYS A 20 6.230 2.546 -0.096 1.00 0.00 H new ATOM 213 N LYS A 21 10.233 -0.066 0.887 1.00 0.00 N ATOM 214 CA LYS A 21 10.244 -1.479 1.245 1.00 0.00 C ATOM 215 C LYS A 21 9.085 -1.813 2.178 1.00 0.00 C ATOM 216 O LYS A 21 8.797 -1.070 3.118 1.00 0.00 O ATOM 217 CB LYS A 21 11.572 -1.847 1.911 1.00 0.00 C ATOM 218 CG LYS A 21 12.629 -2.333 0.934 1.00 0.00 C ATOM 219 CD LYS A 21 13.849 -2.877 1.658 1.00 0.00 C ATOM 220 CE LYS A 21 14.888 -1.791 1.891 1.00 0.00 C ATOM 221 NZ LYS A 21 15.864 -1.706 0.769 1.00 0.00 N ATOM 0 H LYS A 21 10.417 0.567 1.665 1.00 0.00 H new ATOM 0 HA LYS A 21 10.130 -2.061 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.955 -0.977 2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.393 -2.623 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.207 -3.110 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.928 -1.512 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.546 -3.303 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.290 -3.685 1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.388 -0.830 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.420 -1.991 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.555 -0.954 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.360 -2.615 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.360 -1.489 -0.114 1.00 0.00 H new ATOM 235 N LEU A 22 8.424 -2.934 1.915 1.00 0.00 N ATOM 236 CA LEU A 22 7.296 -3.367 2.733 1.00 0.00 C ATOM 237 C LEU A 22 7.763 -4.269 3.871 1.00 0.00 C ATOM 238 O LEU A 22 8.720 -5.030 3.721 1.00 0.00 O ATOM 239 CB LEU A 22 6.269 -4.104 1.872 1.00 0.00 C ATOM 240 CG LEU A 22 5.178 -3.239 1.241 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.350 -4.055 0.260 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.289 -2.632 2.317 1.00 0.00 C ATOM 0 H LEU A 22 8.649 -3.560 1.142 1.00 0.00 H new ATOM 0 HA LEU A 22 6.831 -2.481 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.799 -4.624 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.790 -4.867 2.486 1.00 0.00 H new ATOM 0 HG LEU A 22 5.657 -2.427 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.578 -3.423 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.996 -4.440 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.881 -4.888 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.518 -2.019 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.819 -3.429 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.892 -2.012 2.980 1.00 0.00 H new ATOM 254 N PHE A 23 7.081 -4.181 5.008 1.00 0.00 N ATOM 255 CA PHE A 23 7.425 -4.990 6.171 1.00 0.00 C ATOM 256 C PHE A 23 6.198 -5.238 7.043 1.00 0.00 C ATOM 257 O PHE A 23 5.505 -4.302 7.440 1.00 0.00 O ATOM 258 CB PHE A 23 8.518 -4.302 6.992 1.00 0.00 C ATOM 259 CG PHE A 23 9.840 -4.223 6.285 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.645 -5.344 6.165 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.279 -3.027 5.739 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.862 -5.276 5.514 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.495 -2.952 5.087 1.00 0.00 C ATOM 264 CZ PHE A 23 12.288 -4.077 4.975 1.00 0.00 C ATOM 0 H PHE A 23 6.286 -3.557 5.149 1.00 0.00 H new ATOM 0 HA PHE A 23 7.797 -5.951 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.190 -3.294 7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.649 -4.840 7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.317 -6.283 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.664 -2.144 5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.479 -6.158 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.825 -2.014 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.239 -4.020 4.467 1.00 0.00 H new ATOM 274 N TYR A 24 5.936 -6.507 7.338 1.00 0.00 N ATOM 275 CA TYR A 24 4.792 -6.880 8.160 1.00 0.00 C ATOM 276 C TYR A 24 5.240 -7.320 9.550 1.00 0.00 C ATOM 277 O TYR A 24 6.399 -7.678 9.758 1.00 0.00 O ATOM 278 CB TYR A 24 4.000 -8.004 7.489 1.00 0.00 C ATOM 279 CG TYR A 24 4.817 -9.249 7.227 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.692 -9.316 6.150 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.716 -10.357 8.059 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.440 -10.452 5.907 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.461 -11.496 7.825 1.00 0.00 C ATOM 284 CZ TYR A 24 6.322 -11.539 6.748 1.00 0.00 C ATOM 285 OH TYR A 24 7.066 -12.672 6.510 1.00 0.00 O ATOM 0 H TYR A 24 6.501 -7.294 7.020 1.00 0.00 H new ATOM 0 HA TYR A 24 4.151 -6.004 8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.150 -8.264 8.119 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.597 -7.639 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.789 -8.466 5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.043 -10.327 8.903 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.113 -10.489 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.370 -12.349 8.482 1.00 0.00 H new ATOM 0 HH TYR A 24 6.866 -13.344 7.195 1.00 0.00 H new ATOM 295 N LYS A 25 4.312 -7.289 10.501 1.00 0.00 N ATOM 296 CA LYS A 25 4.608 -7.685 11.873 1.00 0.00 C ATOM 297 C LYS A 25 4.296 -9.162 12.092 1.00 0.00 C ATOM 298 O LYS A 25 3.141 -9.582 12.010 1.00 0.00 O ATOM 299 CB LYS A 25 3.804 -6.832 12.856 1.00 0.00 C ATOM 300 CG LYS A 25 4.375 -6.826 14.264 1.00 0.00 C ATOM 301 CD LYS A 25 5.377 -5.700 14.454 1.00 0.00 C ATOM 302 CE LYS A 25 5.416 -5.227 15.900 1.00 0.00 C ATOM 303 NZ LYS A 25 6.046 -6.235 16.796 1.00 0.00 N ATOM 0 H LYS A 25 3.348 -6.994 10.346 1.00 0.00 H new ATOM 0 HA LYS A 25 5.672 -7.526 12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.762 -5.808 12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.779 -7.201 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.565 -6.719 14.986 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.858 -7.782 14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.368 -6.039 14.154 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.116 -4.865 13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.970 -4.290 15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.402 -5.020 16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.324 -6.638 17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.468 -6.993 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.787 -5.778 17.365 1.00 0.00 H new ATOM 317 N LYS A 26 5.332 -9.946 12.373 1.00 0.00 N ATOM 318 CA LYS A 26 5.169 -11.375 12.607 1.00 0.00 C ATOM 319 C LYS A 26 5.985 -11.826 13.814 1.00 0.00 C ATOM 320 O LYS A 26 7.205 -11.660 13.847 1.00 0.00 O ATOM 321 CB LYS A 26 5.592 -12.168 11.367 1.00 0.00 C ATOM 322 CG LYS A 26 5.005 -13.567 11.311 1.00 0.00 C ATOM 323 CD LYS A 26 3.536 -13.541 10.920 1.00 0.00 C ATOM 324 CE LYS A 26 3.021 -14.934 10.594 1.00 0.00 C ATOM 325 NZ LYS A 26 3.239 -15.286 9.164 1.00 0.00 N ATOM 0 H LYS A 26 6.294 -9.615 12.444 1.00 0.00 H new ATOM 0 HA LYS A 26 4.115 -11.566 12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.289 -11.620 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.680 -12.238 11.344 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.563 -14.168 10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.115 -14.048 12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.949 -13.116 11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.400 -12.890 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.523 -15.664 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.957 -14.991 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.320 -15.413 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.766 -14.522 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.784 -16.170 9.103 1.00 0.00 H new ATOM 339 N ASP A 27 5.306 -12.396 14.802 1.00 0.00 N ATOM 340 CA ASP A 27 5.969 -12.873 16.011 1.00 0.00 C ATOM 341 C ASP A 27 6.714 -11.737 16.705 1.00 0.00 C ATOM 342 O ASP A 27 7.827 -11.922 17.197 1.00 0.00 O ATOM 343 CB ASP A 27 6.939 -14.005 15.673 1.00 0.00 C ATOM 344 CG ASP A 27 6.404 -14.923 14.590 1.00 0.00 C ATOM 345 OD1 ASP A 27 5.327 -15.520 14.799 1.00 0.00 O ATOM 346 OD2 ASP A 27 7.062 -15.043 13.536 1.00 0.00 O ATOM 0 H ASP A 27 4.296 -12.540 14.790 1.00 0.00 H new ATOM 0 HA ASP A 27 5.205 -13.251 16.691 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.889 -13.581 15.349 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.140 -14.587 16.572 1.00 0.00 H new ATOM 351 N ASN A 28 6.094 -10.562 16.739 1.00 0.00 N ATOM 352 CA ASN A 28 6.700 -9.396 17.372 1.00 0.00 C ATOM 353 C ASN A 28 8.008 -9.021 16.681 1.00 0.00 C ATOM 354 O ASN A 28 8.991 -8.679 17.337 1.00 0.00 O ATOM 355 CB ASN A 28 6.955 -9.670 18.856 1.00 0.00 C ATOM 356 CG ASN A 28 5.669 -9.768 19.654 1.00 0.00 C ATOM 357 OD1 ASN A 28 5.012 -8.761 19.920 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.304 -10.985 20.041 1.00 0.00 N ATOM 0 H ASN A 28 5.173 -10.392 16.336 1.00 0.00 H new ATOM 0 HA ASN A 28 6.006 -8.560 17.278 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.516 -10.599 18.960 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.576 -8.875 19.268 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.448 -11.113 20.581 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.879 -11.791 19.798 1.00 0.00 H new ATOM 365 N GLU A 29 8.009 -9.087 15.353 1.00 0.00 N ATOM 366 CA GLU A 29 9.196 -8.754 14.574 1.00 0.00 C ATOM 367 C GLU A 29 8.812 -8.260 13.182 1.00 0.00 C ATOM 368 O GLU A 29 7.695 -8.488 12.717 1.00 0.00 O ATOM 369 CB GLU A 29 10.116 -9.972 14.459 1.00 0.00 C ATOM 370 CG GLU A 29 11.137 -10.071 15.580 1.00 0.00 C ATOM 371 CD GLU A 29 12.260 -9.063 15.437 1.00 0.00 C ATOM 372 OE1 GLU A 29 13.249 -9.370 14.740 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.150 -7.966 16.024 1.00 0.00 O ATOM 0 H GLU A 29 7.203 -9.368 14.795 1.00 0.00 H new ATOM 0 HA GLU A 29 9.726 -7.954 15.091 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.508 -10.877 14.452 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.640 -9.932 13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.637 -9.919 16.536 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.557 -11.077 15.596 1.00 0.00 H new ATOM 380 N PHE A 30 9.746 -7.581 12.524 1.00 0.00 N ATOM 381 CA PHE A 30 9.506 -7.052 11.186 1.00 0.00 C ATOM 382 C PHE A 30 10.152 -7.940 10.126 1.00 0.00 C ATOM 383 O PHE A 30 11.376 -8.025 10.033 1.00 0.00 O ATOM 384 CB PHE A 30 10.049 -5.626 11.073 1.00 0.00 C ATOM 385 CG PHE A 30 9.181 -4.599 11.743 1.00 0.00 C ATOM 386 CD1 PHE A 30 7.876 -4.397 11.326 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.672 -3.837 12.791 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.075 -3.453 11.941 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.875 -2.892 13.410 1.00 0.00 C ATOM 390 CZ PHE A 30 7.576 -2.699 12.984 1.00 0.00 C ATOM 0 H PHE A 30 10.675 -7.384 12.895 1.00 0.00 H new ATOM 0 HA PHE A 30 8.429 -7.038 11.016 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.046 -5.590 11.512 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.155 -5.369 10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.479 -4.984 10.511 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.688 -3.983 13.128 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.059 -3.305 11.606 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.268 -2.305 14.227 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.953 -1.960 13.465 1.00 0.00 H new ATOM 400 N LYS A 31 9.319 -8.601 9.329 1.00 0.00 N ATOM 401 CA LYS A 31 9.806 -9.483 8.275 1.00 0.00 C ATOM 402 C LYS A 31 9.645 -8.833 6.905 1.00 0.00 C ATOM 403 O LYS A 31 8.595 -8.270 6.595 1.00 0.00 O ATOM 404 CB LYS A 31 9.057 -10.816 8.310 1.00 0.00 C ATOM 405 CG LYS A 31 9.347 -11.645 9.550 1.00 0.00 C ATOM 406 CD LYS A 31 10.622 -12.457 9.392 1.00 0.00 C ATOM 407 CE LYS A 31 11.855 -11.626 9.710 1.00 0.00 C ATOM 408 NZ LYS A 31 12.961 -12.461 10.256 1.00 0.00 N ATOM 0 H LYS A 31 8.303 -8.542 9.393 1.00 0.00 H new ATOM 0 HA LYS A 31 10.866 -9.665 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.986 -10.623 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.322 -11.395 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.438 -10.988 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.510 -12.315 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.586 -13.324 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.690 -12.835 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.194 -11.119 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.595 -10.851 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.783 -11.858 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.646 -12.925 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.227 -13.184 9.558 1.00 0.00 H new ATOM 422 N GLU A 32 10.690 -8.916 6.088 1.00 0.00 N ATOM 423 CA GLU A 32 10.662 -8.336 4.751 1.00 0.00 C ATOM 424 C GLU A 32 9.593 -9.004 3.890 1.00 0.00 C ATOM 425 O GLU A 32 9.519 -10.230 3.812 1.00 0.00 O ATOM 426 CB GLU A 32 12.032 -8.476 4.081 1.00 0.00 C ATOM 427 CG GLU A 32 12.297 -7.428 3.014 1.00 0.00 C ATOM 428 CD GLU A 32 13.771 -7.104 2.868 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.542 -8.008 2.485 1.00 0.00 O ATOM 430 OE2 GLU A 32 14.152 -5.945 3.136 1.00 0.00 O ATOM 0 H GLU A 32 11.566 -9.379 6.329 1.00 0.00 H new ATOM 0 HA GLU A 32 10.418 -7.278 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.808 -8.411 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.108 -9.466 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.910 -7.782 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.751 -6.517 3.261 1.00 0.00 H new ATOM 437 N LYS A 33 8.766 -8.188 3.247 1.00 0.00 N ATOM 438 CA LYS A 33 7.700 -8.696 2.391 1.00 0.00 C ATOM 439 C LYS A 33 8.154 -8.759 0.936 1.00 0.00 C ATOM 440 O LYS A 33 7.895 -9.738 0.237 1.00 0.00 O ATOM 441 CB LYS A 33 6.457 -7.813 2.510 1.00 0.00 C ATOM 442 CG LYS A 33 5.164 -8.533 2.169 1.00 0.00 C ATOM 443 CD LYS A 33 3.964 -7.606 2.274 1.00 0.00 C ATOM 444 CE LYS A 33 2.783 -8.129 1.471 1.00 0.00 C ATOM 445 NZ LYS A 33 2.219 -9.374 2.061 1.00 0.00 N ATOM 0 H LYS A 33 8.813 -7.171 3.302 1.00 0.00 H new ATOM 0 HA LYS A 33 7.454 -9.705 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.391 -7.428 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.569 -6.952 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.226 -8.935 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.030 -9.380 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.676 -7.500 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.237 -6.613 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.007 -7.365 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.098 -8.323 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.416 -9.698 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.952 -10.112 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.894 -9.183 3.030 1.00 0.00 H new ATOM 459 N GLY A 34 8.834 -7.709 0.487 1.00 0.00 N ATOM 460 CA GLY A 34 9.314 -7.666 -0.882 1.00 0.00 C ATOM 461 C GLY A 34 9.681 -6.263 -1.325 1.00 0.00 C ATOM 462 O GLY A 34 8.845 -5.359 -1.300 1.00 0.00 O ATOM 0 H GLY A 34 9.061 -6.887 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.185 -8.314 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.546 -8.064 -1.545 1.00 0.00 H new ATOM 466 N ILE A 35 10.934 -6.081 -1.729 1.00 0.00 N ATOM 467 CA ILE A 35 11.409 -4.778 -2.177 1.00 0.00 C ATOM 468 C ILE A 35 10.782 -4.395 -3.514 1.00 0.00 C ATOM 469 O ILE A 35 10.729 -5.203 -4.440 1.00 0.00 O ATOM 470 CB ILE A 35 12.942 -4.755 -2.317 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.600 -5.304 -1.049 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.428 -3.342 -2.602 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.105 -5.153 -1.034 1.00 0.00 C ATOM 0 H ILE A 35 11.638 -6.819 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 35 11.111 -4.055 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 35 13.224 -5.391 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.183 -4.791 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.348 -6.360 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.514 -3.343 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.982 -2.984 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.137 -2.685 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.503 -5.564 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.533 -5.689 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.365 -4.097 -1.104 1.00 0.00 H new ATOM 485 N GLY A 36 10.310 -3.155 -3.607 1.00 0.00 N ATOM 486 CA GLY A 36 9.695 -2.686 -4.834 1.00 0.00 C ATOM 487 C GLY A 36 9.369 -1.206 -4.790 1.00 0.00 C ATOM 488 O GLY A 36 10.029 -0.437 -4.090 1.00 0.00 O ATOM 0 H GLY A 36 10.343 -2.468 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.365 -2.883 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.781 -3.251 -5.018 1.00 0.00 H new ATOM 492 N THR A 37 8.349 -0.804 -5.542 1.00 0.00 N ATOM 493 CA THR A 37 7.938 0.594 -5.588 1.00 0.00 C ATOM 494 C THR A 37 6.433 0.731 -5.391 1.00 0.00 C ATOM 495 O THR A 37 5.664 -0.155 -5.765 1.00 0.00 O ATOM 496 CB THR A 37 8.331 1.251 -6.925 1.00 0.00 C ATOM 497 OG1 THR A 37 9.704 0.974 -7.222 1.00 0.00 O ATOM 498 CG2 THR A 37 8.112 2.755 -6.874 1.00 0.00 C ATOM 0 H THR A 37 7.792 -1.427 -6.127 1.00 0.00 H new ATOM 0 HA THR A 37 8.456 1.103 -4.775 1.00 0.00 H new ATOM 0 HB THR A 37 7.699 0.834 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.945 1.394 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.396 3.197 -7.829 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.060 2.963 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.722 3.185 -6.079 1.00 0.00 H new ATOM 506 N LEU A 38 6.018 1.847 -4.801 1.00 0.00 N ATOM 507 CA LEU A 38 4.603 2.101 -4.554 1.00 0.00 C ATOM 508 C LEU A 38 4.004 2.965 -5.660 1.00 0.00 C ATOM 509 O LEU A 38 4.655 3.876 -6.172 1.00 0.00 O ATOM 510 CB LEU A 38 4.416 2.786 -3.199 1.00 0.00 C ATOM 511 CG LEU A 38 2.991 3.223 -2.858 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.766 3.185 -1.355 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.715 4.616 -3.406 1.00 0.00 C ATOM 0 H LEU A 38 6.641 2.590 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 38 4.084 1.143 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.762 2.107 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.061 3.664 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 38 2.296 2.526 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.746 3.499 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.921 2.170 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.469 3.859 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.696 4.911 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.417 5.325 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.834 4.611 -4.490 1.00 0.00 H new ATOM 525 N HIS A 39 2.758 2.674 -6.021 1.00 0.00 N ATOM 526 CA HIS A 39 2.070 3.426 -7.064 1.00 0.00 C ATOM 527 C HIS A 39 0.593 3.600 -6.724 1.00 0.00 C ATOM 528 O HIS A 39 -0.111 2.627 -6.449 1.00 0.00 O ATOM 529 CB HIS A 39 2.214 2.719 -8.412 1.00 0.00 C ATOM 530 CG HIS A 39 3.630 2.629 -8.893 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.495 3.703 -8.892 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.331 1.583 -9.390 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.666 3.322 -9.369 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.594 2.040 -9.678 1.00 0.00 N ATOM 0 H HIS A 39 2.205 1.924 -5.607 1.00 0.00 H new ATOM 0 HA HIS A 39 2.529 4.412 -7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.802 1.713 -8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.619 3.249 -9.156 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.266 4.644 -8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.965 0.577 -9.533 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.535 3.952 -9.487 1.00 0.00 H new ATOM 542 N LEU A 40 0.129 4.845 -6.742 1.00 0.00 N ATOM 543 CA LEU A 40 -1.264 5.147 -6.434 1.00 0.00 C ATOM 544 C LEU A 40 -2.052 5.442 -7.707 1.00 0.00 C ATOM 545 O LEU A 40 -1.647 6.270 -8.523 1.00 0.00 O ATOM 546 CB LEU A 40 -1.349 6.340 -5.481 1.00 0.00 C ATOM 547 CG LEU A 40 -1.187 6.024 -3.994 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.774 7.269 -3.225 1.00 0.00 C ATOM 549 CD2 LEU A 40 -2.476 5.448 -3.427 1.00 0.00 C ATOM 0 H LEU A 40 0.698 5.662 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.701 4.273 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.582 7.061 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.313 6.827 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.400 5.277 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.664 7.024 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.175 7.638 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.537 8.038 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.342 5.229 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.282 6.171 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.729 4.530 -3.958 1.00 0.00 H new ATOM 561 N LYS A 41 -3.180 4.759 -7.870 1.00 0.00 N ATOM 562 CA LYS A 41 -4.027 4.949 -9.041 1.00 0.00 C ATOM 563 C LYS A 41 -5.430 5.388 -8.633 1.00 0.00 C ATOM 564 O LYS A 41 -6.028 4.850 -7.700 1.00 0.00 O ATOM 565 CB LYS A 41 -4.103 3.656 -9.856 1.00 0.00 C ATOM 566 CG LYS A 41 -2.860 3.387 -10.686 1.00 0.00 C ATOM 567 CD LYS A 41 -2.954 2.058 -11.416 1.00 0.00 C ATOM 568 CE LYS A 41 -2.378 0.922 -10.584 1.00 0.00 C ATOM 569 NZ LYS A 41 -3.419 0.265 -9.747 1.00 0.00 N ATOM 0 H LYS A 41 -3.529 4.068 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.584 5.733 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.266 2.818 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.968 3.703 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.723 4.191 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.983 3.387 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.996 1.845 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.419 2.124 -12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.923 0.183 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.586 1.307 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.128 0.289 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.322 0.769 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.535 -0.723 -10.050 1.00 0.00 H new ATOM 583 N PRO A 42 -5.970 6.388 -9.346 1.00 0.00 N ATOM 584 CA PRO A 42 -7.309 6.919 -9.077 1.00 0.00 C ATOM 585 C PRO A 42 -8.410 5.930 -9.446 1.00 0.00 C ATOM 586 O PRO A 42 -8.424 5.383 -10.549 1.00 0.00 O ATOM 587 CB PRO A 42 -7.384 8.160 -9.969 1.00 0.00 C ATOM 588 CG PRO A 42 -6.424 7.890 -11.075 1.00 0.00 C ATOM 589 CD PRO A 42 -5.314 7.076 -10.471 1.00 0.00 C ATOM 0 HA PRO A 42 -7.459 7.129 -8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.394 8.313 -10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.111 9.060 -9.419 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.908 7.348 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.042 8.820 -11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.899 6.368 -11.188 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.492 7.706 -10.132 1.00 0.00 H new ATOM 597 N THR A 43 -9.333 5.704 -8.515 1.00 0.00 N ATOM 598 CA THR A 43 -10.437 4.781 -8.743 1.00 0.00 C ATOM 599 C THR A 43 -11.657 5.508 -9.297 1.00 0.00 C ATOM 600 O THR A 43 -11.844 6.700 -9.052 1.00 0.00 O ATOM 601 CB THR A 43 -10.834 4.050 -7.446 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.497 4.955 -6.557 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.610 3.462 -6.760 1.00 0.00 C ATOM 0 H THR A 43 -9.337 6.148 -7.597 1.00 0.00 H new ATOM 0 HA THR A 43 -10.092 4.049 -9.473 1.00 0.00 H new ATOM 0 HB THR A 43 -11.511 3.236 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.897 5.699 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.915 2.951 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.124 2.751 -7.429 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.912 4.262 -6.512 1.00 0.00 H new ATOM 611 N ALA A 44 -12.484 4.784 -10.043 1.00 0.00 N ATOM 612 CA ALA A 44 -13.687 5.360 -10.629 1.00 0.00 C ATOM 613 C ALA A 44 -14.384 6.294 -9.645 1.00 0.00 C ATOM 614 O ALA A 44 -14.995 7.285 -10.042 1.00 0.00 O ATOM 615 CB ALA A 44 -14.636 4.258 -11.077 1.00 0.00 C ATOM 0 H ALA A 44 -12.343 3.797 -10.256 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.392 5.946 -11.499 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.530 4.703 -11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.142 3.633 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.916 3.648 -10.218 1.00 0.00 H new ATOM 621 N ASN A 45 -14.289 5.969 -8.360 1.00 0.00 N ATOM 622 CA ASN A 45 -14.912 6.778 -7.319 1.00 0.00 C ATOM 623 C ASN A 45 -13.919 7.785 -6.745 1.00 0.00 C ATOM 624 O ASN A 45 -12.767 7.846 -7.172 1.00 0.00 O ATOM 625 CB ASN A 45 -15.451 5.883 -6.202 1.00 0.00 C ATOM 626 CG ASN A 45 -16.387 4.809 -6.722 1.00 0.00 C ATOM 627 OD1 ASN A 45 -16.622 4.705 -7.926 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.926 4.004 -5.814 1.00 0.00 N ATOM 0 H ASN A 45 -13.787 5.151 -8.015 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.740 7.326 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.616 5.413 -5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.977 6.497 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.563 3.262 -6.104 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.703 4.127 -4.826 1.00 0.00 H new ATOM 635 N GLN A 46 -14.375 8.570 -5.775 1.00 0.00 N ATOM 636 CA GLN A 46 -13.527 9.574 -5.143 1.00 0.00 C ATOM 637 C GLN A 46 -12.502 8.919 -4.223 1.00 0.00 C ATOM 638 O GLN A 46 -11.765 9.601 -3.511 1.00 0.00 O ATOM 639 CB GLN A 46 -14.379 10.567 -4.352 1.00 0.00 C ATOM 640 CG GLN A 46 -14.921 10.002 -3.049 1.00 0.00 C ATOM 641 CD GLN A 46 -16.275 9.342 -3.218 1.00 0.00 C ATOM 642 OE1 GLN A 46 -16.939 9.514 -4.241 1.00 0.00 O ATOM 643 NE2 GLN A 46 -16.693 8.581 -2.213 1.00 0.00 N ATOM 0 H GLN A 46 -15.326 8.531 -5.409 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.994 10.109 -5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.782 11.452 -4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -15.214 10.891 -4.973 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.214 9.275 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -15.001 10.804 -2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.110 8.466 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.597 8.111 -2.270 1.00 0.00 H new ATOM 652 N LYS A 47 -12.460 7.591 -4.242 1.00 0.00 N ATOM 653 CA LYS A 47 -11.526 6.842 -3.410 1.00 0.00 C ATOM 654 C LYS A 47 -10.155 6.757 -4.074 1.00 0.00 C ATOM 655 O LYS A 47 -9.982 7.170 -5.221 1.00 0.00 O ATOM 656 CB LYS A 47 -12.063 5.434 -3.144 1.00 0.00 C ATOM 657 CG LYS A 47 -13.514 5.412 -2.694 1.00 0.00 C ATOM 658 CD LYS A 47 -13.811 4.198 -1.830 1.00 0.00 C ATOM 659 CE LYS A 47 -15.258 4.188 -1.361 1.00 0.00 C ATOM 660 NZ LYS A 47 -15.541 3.037 -0.460 1.00 0.00 N ATOM 0 H LYS A 47 -13.063 7.011 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.420 7.369 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.964 4.839 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.447 4.957 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.736 6.321 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.167 5.407 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.604 3.289 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.147 4.194 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.477 5.120 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.920 4.143 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.537 3.066 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.356 2.147 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.928 3.093 0.378 1.00 0.00 H new ATOM 674 N THR A 48 -9.182 6.217 -3.346 1.00 0.00 N ATOM 675 CA THR A 48 -7.827 6.078 -3.864 1.00 0.00 C ATOM 676 C THR A 48 -7.293 4.668 -3.635 1.00 0.00 C ATOM 677 O THR A 48 -7.223 4.199 -2.499 1.00 0.00 O ATOM 678 CB THR A 48 -6.868 7.090 -3.209 1.00 0.00 C ATOM 679 OG1 THR A 48 -7.354 8.423 -3.406 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.468 6.964 -3.791 1.00 0.00 C ATOM 0 H THR A 48 -9.308 5.869 -2.396 1.00 0.00 H new ATOM 0 HA THR A 48 -7.876 6.276 -4.935 1.00 0.00 H new ATOM 0 HB THR A 48 -6.821 6.875 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.517 8.844 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.809 7.689 -3.313 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.090 5.957 -3.614 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.501 7.156 -4.863 1.00 0.00 H new ATOM 688 N GLN A 49 -6.919 3.999 -4.720 1.00 0.00 N ATOM 689 CA GLN A 49 -6.391 2.642 -4.636 1.00 0.00 C ATOM 690 C GLN A 49 -4.872 2.656 -4.499 1.00 0.00 C ATOM 691 O GLN A 49 -4.207 3.595 -4.939 1.00 0.00 O ATOM 692 CB GLN A 49 -6.796 1.837 -5.872 1.00 0.00 C ATOM 693 CG GLN A 49 -6.463 0.357 -5.770 1.00 0.00 C ATOM 694 CD GLN A 49 -6.833 -0.412 -7.023 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.902 -0.205 -7.599 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.949 -1.304 -7.453 1.00 0.00 N ATOM 0 H GLN A 49 -6.972 4.374 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.813 2.169 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.868 1.949 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.297 2.254 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.396 0.241 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.988 -0.072 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.076 -1.443 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.143 -1.851 -8.292 1.00 0.00 H new ATOM 705 N LEU A 50 -4.328 1.610 -3.887 1.00 0.00 N ATOM 706 CA LEU A 50 -2.887 1.502 -3.692 1.00 0.00 C ATOM 707 C LEU A 50 -2.342 0.236 -4.345 1.00 0.00 C ATOM 708 O LEU A 50 -2.981 -0.817 -4.311 1.00 0.00 O ATOM 709 CB LEU A 50 -2.553 1.503 -2.199 1.00 0.00 C ATOM 710 CG LEU A 50 -1.076 1.330 -1.841 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.755 2.045 -0.538 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.721 -0.146 -1.743 1.00 0.00 C ATOM 0 H LEU A 50 -4.863 0.825 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.416 2.364 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.903 2.442 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.118 0.703 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.475 1.776 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.300 1.911 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.971 3.108 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.364 1.629 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.333 -0.250 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.330 -0.616 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.912 -0.631 -2.701 1.00 0.00 H new ATOM 724 N LEU A 51 -1.158 0.344 -4.937 1.00 0.00 N ATOM 725 CA LEU A 51 -0.526 -0.793 -5.596 1.00 0.00 C ATOM 726 C LEU A 51 0.986 -0.770 -5.391 1.00 0.00 C ATOM 727 O LEU A 51 1.605 0.294 -5.376 1.00 0.00 O ATOM 728 CB LEU A 51 -0.849 -0.785 -7.092 1.00 0.00 C ATOM 729 CG LEU A 51 -0.753 -2.133 -7.806 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.875 -3.056 -7.358 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.789 -1.941 -9.315 1.00 0.00 C ATOM 0 H LEU A 51 -0.616 1.207 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.921 -1.706 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.860 -0.398 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.174 -0.086 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 51 0.198 -2.595 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.790 -4.011 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.804 -3.220 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.837 -2.600 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.720 -2.911 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.724 -1.457 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.050 -1.317 -9.623 1.00 0.00 H new ATOM 743 N VAL A 52 1.574 -1.952 -5.234 1.00 0.00 N ATOM 744 CA VAL A 52 3.014 -2.068 -5.033 1.00 0.00 C ATOM 745 C VAL A 52 3.630 -3.050 -6.024 1.00 0.00 C ATOM 746 O VAL A 52 3.229 -4.212 -6.092 1.00 0.00 O ATOM 747 CB VAL A 52 3.345 -2.525 -3.600 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.848 -2.685 -3.425 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.783 -1.543 -2.584 1.00 0.00 C ATOM 0 H VAL A 52 1.076 -2.842 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 52 3.438 -1.077 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 52 2.878 -3.495 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.063 -3.008 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.219 -3.430 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.340 -1.731 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.026 -1.882 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.219 -0.558 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.700 -1.484 -2.695 1.00 0.00 H new ATOM 759 N ARG A 53 4.606 -2.575 -6.790 1.00 0.00 N ATOM 760 CA ARG A 53 5.278 -3.411 -7.777 1.00 0.00 C ATOM 761 C ARG A 53 6.588 -3.962 -7.223 1.00 0.00 C ATOM 762 O ARG A 53 7.430 -3.211 -6.731 1.00 0.00 O ATOM 763 CB ARG A 53 5.547 -2.612 -9.054 1.00 0.00 C ATOM 764 CG ARG A 53 6.453 -1.410 -8.841 1.00 0.00 C ATOM 765 CD ARG A 53 6.663 -0.635 -10.132 1.00 0.00 C ATOM 766 NE ARG A 53 7.275 -1.457 -11.171 1.00 0.00 N ATOM 767 CZ ARG A 53 7.977 -0.960 -12.183 1.00 0.00 C ATOM 768 NH1 ARG A 53 8.154 0.350 -12.291 1.00 0.00 N ATOM 769 NH2 ARG A 53 8.504 -1.773 -13.090 1.00 0.00 N ATOM 0 H ARG A 53 4.949 -1.615 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 53 4.623 -4.250 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.999 -3.270 -9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.597 -2.272 -9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.017 -0.753 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.416 -1.743 -8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.705 -0.256 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.295 0.231 -9.936 1.00 0.00 H new ATOM 0 HE ARG A 53 7.157 -2.469 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.751 0.978 -11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.694 0.729 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.370 -2.781 -13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.043 -1.390 -13.867 1.00 0.00 H new ATOM 783 N ALA A 54 6.753 -5.278 -7.306 1.00 0.00 N ATOM 784 CA ALA A 54 7.961 -5.929 -6.814 1.00 0.00 C ATOM 785 C ALA A 54 9.192 -5.449 -7.575 1.00 0.00 C ATOM 786 O ALA A 54 9.087 -4.644 -8.501 1.00 0.00 O ATOM 787 CB ALA A 54 7.827 -7.441 -6.923 1.00 0.00 C ATOM 0 H ALA A 54 6.065 -5.914 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 54 8.087 -5.661 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.736 -7.915 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.976 -7.775 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.673 -7.718 -7.966 1.00 0.00 H new ATOM 793 N ASP A 55 10.358 -5.946 -7.178 1.00 0.00 N ATOM 794 CA ASP A 55 11.610 -5.568 -7.823 1.00 0.00 C ATOM 795 C ASP A 55 11.905 -6.477 -9.012 1.00 0.00 C ATOM 796 O ASP A 55 13.039 -6.549 -9.487 1.00 0.00 O ATOM 797 CB ASP A 55 12.764 -5.629 -6.821 1.00 0.00 C ATOM 798 CG ASP A 55 14.090 -5.234 -7.440 1.00 0.00 C ATOM 799 OD1 ASP A 55 14.119 -4.241 -8.196 1.00 0.00 O ATOM 800 OD2 ASP A 55 15.099 -5.919 -7.170 1.00 0.00 O ATOM 0 H ASP A 55 10.462 -6.612 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 55 11.508 -4.545 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.547 -4.969 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.840 -6.640 -6.420 1.00 0.00 H new ATOM 859 N ASN A 60 5.008 -8.263 -10.317 1.00 0.00 N ATOM 860 CA ASN A 60 4.185 -9.033 -9.391 1.00 0.00 C ATOM 861 C ASN A 60 3.588 -8.132 -8.315 1.00 0.00 C ATOM 862 O ASN A 60 4.301 -7.364 -7.669 1.00 0.00 O ATOM 863 CB ASN A 60 5.014 -10.143 -8.741 1.00 0.00 C ATOM 864 CG ASN A 60 4.237 -10.898 -7.679 1.00 0.00 C ATOM 865 OD1 ASN A 60 3.153 -11.418 -7.940 1.00 0.00 O ATOM 866 ND2 ASN A 60 4.791 -10.960 -6.474 1.00 0.00 N ATOM 0 HA ASN A 60 3.369 -9.482 -9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.347 -10.841 -9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.909 -9.710 -8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.316 -11.454 -5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.692 -10.514 -6.303 1.00 0.00 H new ATOM 873 N ILE A 61 2.276 -8.233 -8.128 1.00 0.00 N ATOM 874 CA ILE A 61 1.584 -7.428 -7.129 1.00 0.00 C ATOM 875 C ILE A 61 1.964 -7.859 -5.717 1.00 0.00 C ATOM 876 O ILE A 61 1.772 -9.014 -5.335 1.00 0.00 O ATOM 877 CB ILE A 61 0.055 -7.525 -7.290 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.365 -7.048 -8.682 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.643 -6.710 -6.212 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.793 -7.401 -9.036 1.00 0.00 C ATOM 0 H ILE A 61 1.672 -8.864 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 61 1.893 -6.395 -7.286 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.242 -8.568 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.242 -5.967 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.303 -7.485 -9.424 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.723 -6.788 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.364 -7.092 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.343 -5.665 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.022 -7.032 -10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.917 -8.484 -9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.470 -6.942 -8.316 1.00 0.00 H new ATOM 892 N LEU A 62 2.502 -6.922 -4.943 1.00 0.00 N ATOM 893 CA LEU A 62 2.907 -7.204 -3.571 1.00 0.00 C ATOM 894 C LEU A 62 1.785 -6.873 -2.592 1.00 0.00 C ATOM 895 O LEU A 62 1.420 -7.693 -1.748 1.00 0.00 O ATOM 896 CB LEU A 62 4.162 -6.404 -3.215 1.00 0.00 C ATOM 897 CG LEU A 62 5.487 -6.975 -3.719 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.627 -6.008 -3.436 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.763 -8.328 -3.080 1.00 0.00 C ATOM 0 H LEU A 62 2.667 -5.961 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 62 3.127 -8.269 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.050 -5.395 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.217 -6.316 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 62 5.414 -7.113 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.562 -6.431 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.435 -5.061 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.701 -5.837 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.710 -8.719 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.816 -8.215 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.960 -9.021 -3.334 1.00 0.00 H new ATOM 911 N LEU A 63 1.239 -5.668 -2.712 1.00 0.00 N ATOM 912 CA LEU A 63 0.155 -5.229 -1.840 1.00 0.00 C ATOM 913 C LEU A 63 -0.804 -4.306 -2.585 1.00 0.00 C ATOM 914 O LEU A 63 -0.392 -3.296 -3.156 1.00 0.00 O ATOM 915 CB LEU A 63 0.720 -4.512 -0.613 1.00 0.00 C ATOM 916 CG LEU A 63 -0.298 -3.796 0.275 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.105 -4.803 1.080 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.400 -2.809 1.199 1.00 0.00 C ATOM 0 H LEU A 63 1.529 -4.978 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.397 -6.111 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.253 -5.242 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.455 -3.781 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.983 -3.241 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.824 -4.275 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.636 -5.470 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.434 -5.386 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.340 -2.309 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.108 -3.342 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.933 -2.068 0.604 1.00 0.00 H new ATOM 930 N ASN A 64 -2.085 -4.658 -2.574 1.00 0.00 N ATOM 931 CA ASN A 64 -3.103 -3.860 -3.248 1.00 0.00 C ATOM 932 C ASN A 64 -4.317 -3.654 -2.347 1.00 0.00 C ATOM 933 O ASN A 64 -5.146 -4.550 -2.188 1.00 0.00 O ATOM 934 CB ASN A 64 -3.532 -4.537 -4.552 1.00 0.00 C ATOM 935 CG ASN A 64 -4.443 -3.659 -5.387 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.606 -2.471 -5.107 1.00 0.00 O ATOM 937 ND2 ASN A 64 -5.043 -4.242 -6.419 1.00 0.00 N ATOM 0 H ASN A 64 -2.443 -5.490 -2.106 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.672 -2.885 -3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.646 -4.793 -5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.044 -5.471 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.668 -3.702 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.878 -5.230 -6.613 1.00 0.00 H new ATOM 944 N VAL A 65 -4.415 -2.466 -1.758 1.00 0.00 N ATOM 945 CA VAL A 65 -5.528 -2.140 -0.874 1.00 0.00 C ATOM 946 C VAL A 65 -6.018 -0.716 -1.110 1.00 0.00 C ATOM 947 O VAL A 65 -5.247 0.161 -1.501 1.00 0.00 O ATOM 948 CB VAL A 65 -5.133 -2.298 0.606 1.00 0.00 C ATOM 949 CG1 VAL A 65 -4.948 -3.766 0.956 1.00 0.00 C ATOM 950 CG2 VAL A 65 -3.870 -1.506 0.907 1.00 0.00 C ATOM 0 H VAL A 65 -3.737 -1.713 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.332 -2.840 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.939 -1.902 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.669 -3.857 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.881 -4.302 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.161 -4.192 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.605 -1.629 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.055 -1.870 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.044 -0.451 0.698 1.00 0.00 H new ATOM 960 N LEU A 66 -7.305 -0.492 -0.869 1.00 0.00 N ATOM 961 CA LEU A 66 -7.900 0.827 -1.054 1.00 0.00 C ATOM 962 C LEU A 66 -7.934 1.599 0.262 1.00 0.00 C ATOM 963 O LEU A 66 -8.323 1.060 1.299 1.00 0.00 O ATOM 964 CB LEU A 66 -9.316 0.696 -1.618 1.00 0.00 C ATOM 965 CG LEU A 66 -10.154 1.974 -1.631 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.613 2.956 -2.659 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.614 1.652 -1.916 1.00 0.00 C ATOM 0 H LEU A 66 -7.957 -1.207 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.283 1.380 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.246 0.321 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.848 -0.058 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.090 2.437 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.222 3.860 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.583 3.211 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.646 2.501 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.196 2.574 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.696 1.165 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.997 0.986 -1.143 1.00 0.00 H new ATOM 979 N ILE A 67 -7.526 2.862 0.212 1.00 0.00 N ATOM 980 CA ILE A 67 -7.514 3.708 1.399 1.00 0.00 C ATOM 981 C ILE A 67 -8.919 3.886 1.962 1.00 0.00 C ATOM 982 O ILE A 67 -9.777 4.537 1.364 1.00 0.00 O ATOM 983 CB ILE A 67 -6.915 5.094 1.096 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.477 4.954 0.591 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.963 5.974 2.336 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.963 6.186 -0.120 1.00 0.00 C ATOM 0 H ILE A 67 -7.199 3.322 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.890 3.205 2.138 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.510 5.567 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.824 4.733 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.420 4.103 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.536 6.950 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.998 6.097 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.389 5.507 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.938 6.015 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.593 6.396 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.987 7.036 0.562 1.00 0.00 H new ATOM 998 N PRO A 68 -9.164 3.295 3.141 1.00 0.00 N ATOM 999 CA PRO A 68 -10.464 3.376 3.813 1.00 0.00 C ATOM 1000 C PRO A 68 -10.757 4.776 4.342 1.00 0.00 C ATOM 1001 O PRO A 68 -9.893 5.653 4.359 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.328 2.385 4.971 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.864 2.316 5.240 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.189 2.504 3.910 1.00 0.00 C ATOM 0 HA PRO A 68 -11.287 3.150 3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.876 2.725 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.728 1.407 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.560 3.090 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.593 1.357 5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.238 3.027 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.977 1.549 3.429 1.00 0.00 H new ATOM 1012 N PRO A 69 -12.004 4.993 4.786 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.439 6.285 5.325 1.00 0.00 C ATOM 1014 C PRO A 69 -11.800 6.594 6.675 1.00 0.00 C ATOM 1015 O PRO A 69 -11.880 7.719 7.166 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.953 6.115 5.476 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.156 4.646 5.626 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.085 3.994 4.795 1.00 0.00 C ATOM 0 HA PRO A 69 -12.152 7.114 4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.328 6.657 6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.484 6.501 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.077 4.346 6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.148 4.352 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.757 3.051 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.437 3.774 3.787 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.166 5.588 7.269 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.514 5.754 8.562 1.00 0.00 C ATOM 1028 C ASN A 70 -9.265 4.883 8.657 1.00 0.00 C ATOM 1029 O ASN A 70 -9.332 3.665 8.494 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.481 5.402 9.694 1.00 0.00 C ATOM 1031 CG ASN A 70 -10.764 4.924 10.941 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -10.607 3.722 11.158 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -10.323 5.865 11.768 1.00 0.00 N ATOM 0 H ASN A 70 -11.090 4.650 6.875 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.216 6.798 8.659 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.084 6.277 9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.167 4.627 9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.832 5.603 12.623 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.475 6.849 11.548 1.00 0.00 H new ATOM 1040 N MET A 71 -8.127 5.516 8.922 1.00 0.00 N ATOM 1041 CA MET A 71 -6.863 4.798 9.040 1.00 0.00 C ATOM 1042 C MET A 71 -5.903 5.537 9.967 1.00 0.00 C ATOM 1043 O MET A 71 -5.522 6.682 9.720 1.00 0.00 O ATOM 1044 CB MET A 71 -6.223 4.618 7.662 1.00 0.00 C ATOM 1045 CG MET A 71 -4.818 4.040 7.716 1.00 0.00 C ATOM 1046 SD MET A 71 -3.786 4.599 6.347 1.00 0.00 S ATOM 1047 CE MET A 71 -2.602 5.626 7.213 1.00 0.00 C ATOM 0 H MET A 71 -8.054 6.524 9.059 1.00 0.00 H new ATOM 0 HA MET A 71 -7.070 3.817 9.467 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.854 3.964 7.060 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.191 5.583 7.156 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.349 4.322 8.659 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.876 2.952 7.702 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.893 6.046 6.499 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.126 6.435 7.722 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.065 5.024 7.946 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.500 4.870 11.058 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.579 5.445 12.043 1.00 0.00 C ATOM 1059 C PRO A 72 -3.164 5.596 11.494 1.00 0.00 C ATOM 1060 O PRO A 72 -2.622 4.672 10.887 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.603 4.428 13.187 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.986 3.141 12.542 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.913 3.502 11.415 1.00 0.00 C ATOM 0 HA PRO A 72 -4.877 6.450 12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.629 4.354 13.671 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.320 4.714 13.956 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.107 2.614 12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.478 2.479 13.255 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.807 2.818 10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.957 3.466 11.726 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.572 6.765 11.712 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.220 7.037 11.238 1.00 0.00 C ATOM 1073 C CYS A 73 -0.248 7.157 12.408 1.00 0.00 C ATOM 1074 O CYS A 73 -0.537 7.821 13.404 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.197 8.320 10.406 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.679 9.802 11.322 1.00 0.00 S ATOM 0 H CYS A 73 -3.007 7.539 12.214 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.906 6.202 10.612 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.193 8.463 10.006 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.865 8.199 9.553 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.402 9.643 12.582 1.00 0.00 H new ATOM 1082 N THR A 74 0.906 6.509 12.281 1.00 0.00 N ATOM 1083 CA THR A 74 1.919 6.541 13.328 1.00 0.00 C ATOM 1084 C THR A 74 3.319 6.646 12.735 1.00 0.00 C ATOM 1085 O THR A 74 3.730 5.804 11.935 1.00 0.00 O ATOM 1086 CB THR A 74 1.844 5.288 14.220 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.773 4.111 13.407 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.634 5.349 15.139 1.00 0.00 C ATOM 0 H THR A 74 1.162 5.956 11.463 1.00 0.00 H new ATOM 0 HA THR A 74 1.718 7.423 13.936 1.00 0.00 H new ATOM 0 HB THR A 74 2.744 5.252 14.833 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.953 4.347 12.473 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.603 4.453 15.759 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.706 6.230 15.777 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.275 5.408 14.540 1.00 0.00 H new ATOM 1096 N ARG A 75 4.049 7.683 13.132 1.00 0.00 N ATOM 1097 CA ARG A 75 5.404 7.898 12.638 1.00 0.00 C ATOM 1098 C ARG A 75 6.428 7.239 13.558 1.00 0.00 C ATOM 1099 O ARG A 75 6.386 7.411 14.777 1.00 0.00 O ATOM 1100 CB ARG A 75 5.696 9.395 12.522 1.00 0.00 C ATOM 1101 CG ARG A 75 7.013 9.707 11.830 1.00 0.00 C ATOM 1102 CD ARG A 75 6.958 9.366 10.349 1.00 0.00 C ATOM 1103 NE ARG A 75 7.884 10.180 9.565 1.00 0.00 N ATOM 1104 CZ ARG A 75 9.205 10.067 9.639 1.00 0.00 C ATOM 1105 NH1 ARG A 75 9.753 9.178 10.456 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.981 10.843 8.894 1.00 0.00 N ATOM 0 H ARG A 75 3.725 8.388 13.794 1.00 0.00 H new ATOM 0 HA ARG A 75 5.481 7.442 11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.885 9.873 11.973 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.707 9.833 13.520 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.248 10.764 11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.817 9.144 12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.196 8.311 10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.943 9.515 9.980 1.00 0.00 H new ATOM 0 HE ARG A 75 7.494 10.873 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.160 8.579 11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.768 9.093 10.511 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.563 11.527 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.996 10.755 8.952 1.00 0.00 H new ATOM 1120 N THR A 76 7.348 6.483 12.966 1.00 0.00 N ATOM 1121 CA THR A 76 8.381 5.798 13.731 1.00 0.00 C ATOM 1122 C THR A 76 9.722 5.843 13.008 1.00 0.00 C ATOM 1123 O THR A 76 9.778 6.047 11.796 1.00 0.00 O ATOM 1124 CB THR A 76 8.003 4.328 13.995 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.012 3.698 14.792 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.835 3.569 12.687 1.00 0.00 C ATOM 0 H THR A 76 7.398 6.330 11.959 1.00 0.00 H new ATOM 0 HA THR A 76 8.467 6.321 14.684 1.00 0.00 H new ATOM 0 HB THR A 76 7.054 4.311 14.531 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.763 2.765 14.957 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.568 2.534 12.899 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.046 4.033 12.096 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.770 3.596 12.128 1.00 0.00 H new ATOM 1134 N GLY A 77 10.802 5.651 13.759 1.00 0.00 N ATOM 1135 CA GLY A 77 12.129 5.673 13.171 1.00 0.00 C ATOM 1136 C GLY A 77 12.428 6.981 12.466 1.00 0.00 C ATOM 1137 O GLY A 77 11.717 7.970 12.646 1.00 0.00 O ATOM 0 H GLY A 77 10.782 5.481 14.764 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.872 5.506 13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.222 4.851 12.461 1.00 0.00 H new ATOM 1141 N LYS A 78 13.485 6.989 11.661 1.00 0.00 N ATOM 1142 CA LYS A 78 13.879 8.185 10.926 1.00 0.00 C ATOM 1143 C LYS A 78 13.083 8.314 9.631 1.00 0.00 C ATOM 1144 O LYS A 78 12.432 9.330 9.391 1.00 0.00 O ATOM 1145 CB LYS A 78 15.377 8.147 10.614 1.00 0.00 C ATOM 1146 CG LYS A 78 15.910 9.445 10.033 1.00 0.00 C ATOM 1147 CD LYS A 78 17.429 9.471 10.028 1.00 0.00 C ATOM 1148 CE LYS A 78 17.964 10.614 9.179 1.00 0.00 C ATOM 1149 NZ LYS A 78 19.430 10.494 8.946 1.00 0.00 N ATOM 0 H LYS A 78 14.085 6.180 11.501 1.00 0.00 H new ATOM 0 HA LYS A 78 13.666 9.052 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.924 7.916 11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.573 7.337 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.540 9.568 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.533 10.287 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.796 9.573 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.809 8.524 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.444 10.629 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.751 11.563 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.755 11.292 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.929 10.506 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.631 9.601 8.453 1.00 0.00 H new ATOM 1163 N ASN A 79 13.139 7.278 8.801 1.00 0.00 N ATOM 1164 CA ASN A 79 12.423 7.276 7.531 1.00 0.00 C ATOM 1165 C ASN A 79 11.386 6.157 7.493 1.00 0.00 C ATOM 1166 O ASN A 79 10.911 5.772 6.425 1.00 0.00 O ATOM 1167 CB ASN A 79 13.404 7.116 6.368 1.00 0.00 C ATOM 1168 CG ASN A 79 13.991 5.720 6.294 1.00 0.00 C ATOM 1169 OD1 ASN A 79 13.367 4.749 6.722 1.00 0.00 O ATOM 1170 ND2 ASN A 79 15.197 5.614 5.749 1.00 0.00 N ATOM 0 H ASN A 79 13.673 6.429 8.985 1.00 0.00 H new ATOM 0 HA ASN A 79 11.906 8.231 7.433 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.893 7.342 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.211 7.841 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.643 4.700 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.677 6.447 5.407 1.00 0.00 H new ATOM 1177 N ASN A 80 11.039 5.639 8.667 1.00 0.00 N ATOM 1178 CA ASN A 80 10.059 4.564 8.769 1.00 0.00 C ATOM 1179 C ASN A 80 8.659 5.124 9.002 1.00 0.00 C ATOM 1180 O ASN A 80 8.499 6.218 9.545 1.00 0.00 O ATOM 1181 CB ASN A 80 10.434 3.609 9.904 1.00 0.00 C ATOM 1182 CG ASN A 80 11.892 3.195 9.853 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.540 3.290 8.811 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.414 2.730 10.982 1.00 0.00 N ATOM 0 H ASN A 80 11.422 5.946 9.561 1.00 0.00 H new ATOM 0 HA ASN A 80 10.060 4.016 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.228 4.088 10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.805 2.721 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.390 2.434 11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.839 2.669 11.822 1.00 0.00 H new ATOM 1191 N VAL A 81 7.648 4.368 8.588 1.00 0.00 N ATOM 1192 CA VAL A 81 6.261 4.787 8.753 1.00 0.00 C ATOM 1193 C VAL A 81 5.368 3.605 9.110 1.00 0.00 C ATOM 1194 O VAL A 81 5.329 2.603 8.394 1.00 0.00 O ATOM 1195 CB VAL A 81 5.722 5.457 7.476 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.263 5.848 7.653 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.567 6.669 7.112 1.00 0.00 C ATOM 0 H VAL A 81 7.763 3.461 8.135 1.00 0.00 H new ATOM 0 HA VAL A 81 6.244 5.510 9.569 1.00 0.00 H new ATOM 0 HB VAL A 81 5.784 4.740 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.900 6.320 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.670 4.957 7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.172 6.547 8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.171 7.130 6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.539 7.390 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.597 6.356 6.939 1.00 0.00 H new ATOM 1207 N LEU A 82 4.651 3.726 10.222 1.00 0.00 N ATOM 1208 CA LEU A 82 3.756 2.667 10.674 1.00 0.00 C ATOM 1209 C LEU A 82 2.309 2.983 10.310 1.00 0.00 C ATOM 1210 O LEU A 82 1.786 4.041 10.664 1.00 0.00 O ATOM 1211 CB LEU A 82 3.882 2.477 12.187 1.00 0.00 C ATOM 1212 CG LEU A 82 4.914 1.448 12.650 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.215 1.623 14.131 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.423 0.036 12.367 1.00 0.00 C ATOM 0 H LEU A 82 4.672 4.547 10.827 1.00 0.00 H new ATOM 0 HA LEU A 82 4.044 1.744 10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.132 3.439 12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.907 2.186 12.579 1.00 0.00 H new ATOM 0 HG LEU A 82 5.836 1.609 12.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.951 0.882 14.443 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.610 2.624 14.306 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.299 1.489 14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.170 -0.683 12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.487 -0.137 12.899 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.259 -0.084 11.296 1.00 0.00 H new ATOM 1226 N ILE A 83 1.667 2.060 9.602 1.00 0.00 N ATOM 1227 CA ILE A 83 0.280 2.240 9.193 1.00 0.00 C ATOM 1228 C ILE A 83 -0.515 0.950 9.363 1.00 0.00 C ATOM 1229 O ILE A 83 -0.018 -0.141 9.081 1.00 0.00 O ATOM 1230 CB ILE A 83 0.180 2.701 7.727 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.886 1.702 6.806 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.778 4.091 7.567 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.349 1.700 5.392 1.00 0.00 C ATOM 0 H ILE A 83 2.085 1.180 9.300 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.141 3.012 9.838 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.872 2.745 7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.951 1.933 6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.787 0.701 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.700 4.403 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.236 4.795 8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.827 4.072 7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.896 0.969 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.709 1.439 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.473 2.690 4.954 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.755 1.081 9.825 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.621 -0.074 10.030 1.00 0.00 C ATOM 1247 C VAL A 84 -3.578 -0.258 8.858 1.00 0.00 C ATOM 1248 O VAL A 84 -4.425 0.596 8.595 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.438 0.061 11.329 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.236 -1.207 11.592 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.523 0.378 12.503 1.00 0.00 C ATOM 0 H VAL A 84 -2.182 1.976 10.064 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.972 -0.947 10.106 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.141 0.886 11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.807 -1.093 12.514 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.919 -1.386 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.555 -2.052 11.689 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.117 0.470 13.413 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.795 -0.424 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.001 1.316 12.314 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.437 -1.378 8.158 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.290 -1.676 7.012 1.00 0.00 C ATOM 1263 C CYS A 85 -4.366 -3.179 6.767 1.00 0.00 C ATOM 1264 O CYS A 85 -3.493 -3.934 7.195 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.763 -0.969 5.762 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.167 -1.588 5.181 1.00 0.00 S ATOM 0 H CYS A 85 -2.741 -2.095 8.363 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.293 -1.311 7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.495 -1.076 4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.673 0.097 5.971 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.807 -0.930 4.119 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.419 -3.608 6.078 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.611 -5.022 5.777 1.00 0.00 C ATOM 1274 C VAL A 86 -4.705 -5.468 4.634 1.00 0.00 C ATOM 1275 O VAL A 86 -4.760 -4.941 3.523 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.075 -5.322 5.404 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.241 -6.788 5.031 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -8.004 -4.946 6.549 1.00 0.00 C ATOM 0 H VAL A 86 -6.152 -2.997 5.718 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.353 -5.576 6.679 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.342 -4.718 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.282 -6.982 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.604 -7.021 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.957 -7.413 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.034 -5.165 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.740 -5.522 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.904 -3.882 6.764 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.851 -6.464 4.911 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.917 -7.005 3.919 1.00 0.00 C ATOM 1290 C PRO A 87 -3.627 -7.789 2.821 1.00 0.00 C ATOM 1291 O PRO A 87 -4.571 -8.531 3.087 1.00 0.00 O ATOM 1292 CB PRO A 87 -2.021 -7.933 4.744 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.857 -8.325 5.913 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.731 -7.140 6.214 1.00 0.00 C ATOM 0 HA PRO A 87 -2.373 -6.216 3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.715 -8.805 4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.110 -7.425 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.458 -9.205 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.234 -8.578 6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.704 -7.446 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.281 -6.489 6.964 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.167 -7.618 1.586 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.759 -8.310 0.447 1.00 0.00 C ATOM 1304 C ASN A 88 -2.691 -8.690 -0.574 1.00 0.00 C ATOM 1305 O ASN A 88 -2.075 -7.836 -1.212 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.822 -7.430 -0.214 1.00 0.00 C ATOM 1307 CG ASN A 88 -5.642 -8.187 -1.241 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -5.213 -8.373 -2.380 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -6.829 -8.629 -0.841 1.00 0.00 N ATOM 0 H ASN A 88 -2.386 -7.006 1.348 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.228 -9.223 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.485 -7.029 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.338 -6.580 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.425 -9.146 -1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.144 -8.452 0.113 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.466 -10.002 -0.735 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.194 -11.028 0.019 1.00 0.00 C ATOM 1318 C PRO A 89 -2.811 -11.043 1.495 1.00 0.00 C ATOM 1319 O PRO A 89 -1.857 -10.392 1.921 1.00 0.00 O ATOM 1320 CB PRO A 89 -2.768 -12.334 -0.657 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.438 -12.033 -1.258 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.484 -10.586 -1.664 1.00 0.00 C ATOM 0 HA PRO A 89 -4.270 -10.857 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.702 -13.149 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.487 -12.639 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.637 -12.212 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.245 -12.674 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.508 -10.111 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.795 -10.470 -2.702 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.571 -11.804 2.297 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.330 -11.923 3.738 1.00 0.00 C ATOM 1332 C PRO A 90 -2.054 -12.697 4.050 1.00 0.00 C ATOM 1333 O PRO A 90 -1.701 -13.641 3.342 1.00 0.00 O ATOM 1334 CB PRO A 90 -4.557 -12.688 4.241 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.034 -13.458 3.058 1.00 0.00 C ATOM 1336 CD PRO A 90 -4.725 -12.607 1.858 1.00 0.00 C ATOM 0 HA PRO A 90 -3.195 -10.950 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.299 -13.351 5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.326 -12.007 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.531 -14.423 2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.103 -13.660 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.483 -13.215 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.571 -11.977 1.583 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.367 -12.293 5.113 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.131 -12.951 5.518 1.00 0.00 C ATOM 1346 C ILE A 91 -0.413 -14.125 6.450 1.00 0.00 C ATOM 1347 O ILE A 91 0.173 -15.198 6.308 1.00 0.00 O ATOM 1348 CB ILE A 91 0.824 -11.969 6.223 1.00 0.00 C ATOM 1349 CG1 ILE A 91 1.144 -10.788 5.305 1.00 0.00 C ATOM 1350 CG2 ILE A 91 2.101 -12.682 6.642 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.481 -9.516 6.052 1.00 0.00 C ATOM 0 H ILE A 91 -1.645 -11.514 5.709 1.00 0.00 H new ATOM 0 HA ILE A 91 0.344 -13.318 4.608 1.00 0.00 H new ATOM 0 HB ILE A 91 0.333 -11.587 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.982 -11.055 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.290 -10.602 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.766 -11.975 7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.856 -13.494 7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.597 -13.089 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.697 -8.721 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.635 -9.225 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.354 -9.685 6.682 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.317 -13.914 7.401 1.00 0.00 N ATOM 1364 CA ASP A 92 -1.680 -14.956 8.355 1.00 0.00 C ATOM 1365 C ASP A 92 -3.114 -15.424 8.127 1.00 0.00 C ATOM 1366 O ASP A 92 -3.909 -14.733 7.492 1.00 0.00 O ATOM 1367 CB ASP A 92 -1.518 -14.444 9.787 1.00 0.00 C ATOM 1368 CG ASP A 92 -2.240 -13.131 10.018 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -3.446 -13.053 9.702 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -1.600 -12.182 10.516 1.00 0.00 O ATOM 0 H ASP A 92 -1.811 -13.031 7.532 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.012 -15.804 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.899 -15.192 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.458 -14.316 10.006 1.00 0.00 H new ATOM 1375 N GLU A 93 -3.436 -16.604 8.650 1.00 0.00 N ATOM 1376 CA GLU A 93 -4.773 -17.165 8.502 1.00 0.00 C ATOM 1377 C GLU A 93 -5.576 -17.004 9.790 1.00 0.00 C ATOM 1378 O GLU A 93 -6.780 -16.747 9.756 1.00 0.00 O ATOM 1379 CB GLU A 93 -4.691 -18.644 8.122 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.017 -19.377 8.234 1.00 0.00 C ATOM 1381 CD GLU A 93 -7.029 -18.912 7.204 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -7.378 -17.713 7.216 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -7.471 -19.747 6.387 1.00 0.00 O ATOM 0 H GLU A 93 -2.789 -17.189 9.179 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.281 -16.621 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.325 -18.727 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.959 -19.135 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.848 -20.447 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.427 -19.229 9.233 1.00 0.00 H new ATOM 1390 N LYS A 94 -4.901 -17.156 10.924 1.00 0.00 N ATOM 1391 CA LYS A 94 -5.549 -17.027 12.224 1.00 0.00 C ATOM 1392 C LYS A 94 -6.590 -15.912 12.205 1.00 0.00 C ATOM 1393 O LYS A 94 -7.695 -16.073 12.721 1.00 0.00 O ATOM 1394 CB LYS A 94 -4.508 -16.750 13.310 1.00 0.00 C ATOM 1395 CG LYS A 94 -3.759 -17.990 13.766 1.00 0.00 C ATOM 1396 CD LYS A 94 -2.801 -17.676 14.903 1.00 0.00 C ATOM 1397 CE LYS A 94 -1.664 -18.685 14.968 1.00 0.00 C ATOM 1398 NZ LYS A 94 -2.155 -20.053 15.291 1.00 0.00 N ATOM 0 H LYS A 94 -3.904 -17.369 10.969 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.054 -17.967 12.445 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.791 -16.020 12.936 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.003 -16.299 14.170 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.472 -18.749 14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.204 -18.410 12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.393 -16.674 14.770 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.344 -17.676 15.848 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.140 -18.703 14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.942 -18.371 15.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.347 -20.705 15.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.663 -20.034 16.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.798 -20.377 14.541 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.229 -14.782 11.605 1.00 0.00 N ATOM 1413 CA ASN A 95 -7.132 -13.641 11.518 1.00 0.00 C ATOM 1414 C ASN A 95 -6.780 -12.758 10.324 1.00 0.00 C ATOM 1415 O ASN A 95 -5.824 -11.986 10.371 1.00 0.00 O ATOM 1416 CB ASN A 95 -7.076 -12.820 12.808 1.00 0.00 C ATOM 1417 CG ASN A 95 -5.654 -12.567 13.271 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -4.722 -12.546 12.466 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -5.481 -12.375 14.573 1.00 0.00 N ATOM 0 H ASN A 95 -5.318 -14.633 11.172 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.144 -14.021 11.381 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.579 -11.866 12.650 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.623 -13.343 13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.547 -12.201 14.943 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.283 -12.401 15.203 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.561 -12.879 9.256 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.334 -12.090 8.051 1.00 0.00 C ATOM 1428 C ALA A 96 -8.177 -10.819 8.059 1.00 0.00 C ATOM 1429 O ALA A 96 -7.661 -9.719 7.861 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.639 -12.920 6.812 1.00 0.00 C ATOM 0 H ALA A 96 -8.356 -13.515 9.200 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.284 -11.798 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.465 -12.319 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.990 -13.795 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.680 -13.241 6.836 1.00 0.00 H new ATOM 1436 N THR A 97 -9.476 -10.978 8.290 1.00 0.00 N ATOM 1437 CA THR A 97 -10.391 -9.843 8.322 1.00 0.00 C ATOM 1438 C THR A 97 -9.763 -8.651 9.036 1.00 0.00 C ATOM 1439 O THR A 97 -9.918 -7.508 8.608 1.00 0.00 O ATOM 1440 CB THR A 97 -11.714 -10.208 9.022 1.00 0.00 C ATOM 1441 OG1 THR A 97 -12.573 -9.064 9.071 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.457 -10.716 10.433 1.00 0.00 C ATOM 0 H THR A 97 -9.919 -11.882 8.458 1.00 0.00 H new ATOM 0 HA THR A 97 -10.599 -9.574 7.286 1.00 0.00 H new ATOM 0 HB THR A 97 -12.196 -11.000 8.450 1.00 0.00 H new ATOM 0 HG1 THR A 97 -13.413 -9.304 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.406 -10.967 10.908 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.826 -11.604 10.391 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.955 -9.941 11.013 1.00 0.00 H new ATOM 1450 N MET A 98 -9.053 -8.927 10.126 1.00 0.00 N ATOM 1451 CA MET A 98 -8.400 -7.876 10.897 1.00 0.00 C ATOM 1452 C MET A 98 -7.089 -7.455 10.242 1.00 0.00 C ATOM 1453 O MET A 98 -6.330 -8.279 9.731 1.00 0.00 O ATOM 1454 CB MET A 98 -8.139 -8.351 12.328 1.00 0.00 C ATOM 1455 CG MET A 98 -9.264 -8.016 13.294 1.00 0.00 C ATOM 1456 SD MET A 98 -8.723 -8.011 15.014 1.00 0.00 S ATOM 1457 CE MET A 98 -7.915 -6.415 15.110 1.00 0.00 C ATOM 0 H MET A 98 -8.916 -9.868 10.494 1.00 0.00 H new ATOM 0 HA MET A 98 -9.065 -7.013 10.924 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.986 -9.430 12.322 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.215 -7.900 12.689 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.674 -7.038 13.043 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.070 -8.740 13.173 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.026 -6.494 15.736 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.626 -6.093 14.110 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.600 -5.686 15.543 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.814 -6.142 10.256 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.593 -5.583 9.667 1.00 0.00 C ATOM 1469 C PRO A 99 -4.345 -5.953 10.460 1.00 0.00 C ATOM 1470 O PRO A 99 -4.434 -6.525 11.546 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.833 -4.072 9.721 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.795 -3.881 10.842 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.672 -5.103 10.848 1.00 0.00 C ATOM 0 HA PRO A 99 -5.414 -5.964 8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.904 -3.530 9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.242 -3.702 8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.271 -3.772 11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.387 -2.977 10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.985 -5.368 11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.579 -4.950 10.263 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.180 -5.621 9.911 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.913 -5.917 10.568 1.00 0.00 C ATOM 1483 C VAL A 100 -0.963 -4.727 10.491 1.00 0.00 C ATOM 1484 O VAL A 100 -1.080 -3.881 9.604 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.230 -7.147 9.943 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -2.197 -8.320 9.879 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.693 -6.812 8.559 1.00 0.00 C ATOM 0 H VAL A 100 -3.088 -5.147 9.013 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.140 -6.130 11.613 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.389 -7.434 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.697 -9.180 9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.529 -8.574 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.060 -8.048 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.213 -7.693 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.515 -6.499 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.035 -6.004 8.637 1.00 0.00 H new ATOM 1497 N THR A 101 -0.019 -4.669 11.425 1.00 0.00 N ATOM 1498 CA THR A 101 0.952 -3.583 11.464 1.00 0.00 C ATOM 1499 C THR A 101 1.925 -3.673 10.294 1.00 0.00 C ATOM 1500 O THR A 101 2.426 -4.751 9.973 1.00 0.00 O ATOM 1501 CB THR A 101 1.749 -3.588 12.782 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.854 -3.510 13.896 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.727 -2.424 12.827 1.00 0.00 C ATOM 0 H THR A 101 0.094 -5.362 12.165 1.00 0.00 H new ATOM 0 HA THR A 101 0.388 -2.653 11.393 1.00 0.00 H new ATOM 0 HB THR A 101 2.314 -4.519 12.836 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.369 -3.515 14.730 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.278 -2.448 13.767 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.426 -2.503 11.994 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.179 -1.485 12.752 1.00 0.00 H new ATOM 1511 N MET A 102 2.189 -2.535 9.660 1.00 0.00 N ATOM 1512 CA MET A 102 3.105 -2.487 8.526 1.00 0.00 C ATOM 1513 C MET A 102 4.169 -1.414 8.732 1.00 0.00 C ATOM 1514 O MET A 102 3.923 -0.398 9.382 1.00 0.00 O ATOM 1515 CB MET A 102 2.335 -2.217 7.232 1.00 0.00 C ATOM 1516 CG MET A 102 1.701 -3.461 6.630 1.00 0.00 C ATOM 1517 SD MET A 102 2.796 -4.307 5.473 1.00 0.00 S ATOM 1518 CE MET A 102 1.795 -5.727 5.038 1.00 0.00 C ATOM 0 H MET A 102 1.782 -1.634 9.912 1.00 0.00 H new ATOM 0 HA MET A 102 3.600 -3.455 8.450 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.555 -1.481 7.430 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.012 -1.775 6.501 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.424 -4.147 7.431 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.781 -3.183 6.116 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.437 -6.597 4.903 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.079 -5.925 5.835 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.259 -5.524 4.111 1.00 0.00 H new ATOM 1528 N LEU A 103 5.353 -1.647 8.175 1.00 0.00 N ATOM 1529 CA LEU A 103 6.455 -0.700 8.298 1.00 0.00 C ATOM 1530 C LEU A 103 7.085 -0.417 6.937 1.00 0.00 C ATOM 1531 O LEU A 103 7.606 -1.322 6.284 1.00 0.00 O ATOM 1532 CB LEU A 103 7.514 -1.242 9.259 1.00 0.00 C ATOM 1533 CG LEU A 103 8.497 -0.215 9.823 1.00 0.00 C ATOM 1534 CD1 LEU A 103 9.300 0.427 8.702 1.00 0.00 C ATOM 1535 CD2 LEU A 103 7.758 0.845 10.627 1.00 0.00 C ATOM 0 H LEU A 103 5.574 -2.483 7.634 1.00 0.00 H new ATOM 0 HA LEU A 103 6.056 0.234 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.006 -1.725 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.083 -2.015 8.742 1.00 0.00 H new ATOM 0 HG LEU A 103 9.189 -0.730 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.994 1.155 9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.859 -0.342 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.623 0.929 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.473 1.567 11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.042 1.357 9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.228 0.371 11.454 1.00 0.00 H new ATOM 1547 N ILE A 104 7.034 0.842 6.518 1.00 0.00 N ATOM 1548 CA ILE A 104 7.602 1.244 5.237 1.00 0.00 C ATOM 1549 C ILE A 104 8.938 1.954 5.427 1.00 0.00 C ATOM 1550 O ILE A 104 9.016 2.983 6.098 1.00 0.00 O ATOM 1551 CB ILE A 104 6.646 2.171 4.463 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.317 1.462 4.198 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.284 2.617 3.156 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.170 2.410 3.927 1.00 0.00 C ATOM 0 H ILE A 104 6.605 1.602 7.047 1.00 0.00 H new ATOM 0 HA ILE A 104 7.757 0.332 4.660 1.00 0.00 H new ATOM 0 HB ILE A 104 6.450 3.055 5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.435 0.794 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.068 0.840 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.596 3.271 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.208 3.156 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.506 1.744 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.260 1.838 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.025 3.062 4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.397 3.015 3.049 1.00 0.00 H new ATOM 1566 N ARG A 105 9.988 1.398 4.830 1.00 0.00 N ATOM 1567 CA ARG A 105 11.321 1.978 4.932 1.00 0.00 C ATOM 1568 C ARG A 105 11.762 2.568 3.596 1.00 0.00 C ATOM 1569 O ARG A 105 12.065 1.837 2.652 1.00 0.00 O ATOM 1570 CB ARG A 105 12.327 0.921 5.392 1.00 0.00 C ATOM 1571 CG ARG A 105 13.668 1.499 5.812 1.00 0.00 C ATOM 1572 CD ARG A 105 14.566 1.754 4.611 1.00 0.00 C ATOM 1573 NE ARG A 105 15.871 2.279 5.004 1.00 0.00 N ATOM 1574 CZ ARG A 105 16.832 2.583 4.139 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.635 2.415 2.838 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.992 3.056 4.574 1.00 0.00 N ATOM 0 H ARG A 105 9.940 0.546 4.271 1.00 0.00 H new ATOM 0 HA ARG A 105 11.285 2.780 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.902 0.367 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.486 0.207 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.510 2.431 6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 105 14.163 0.812 6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.701 0.826 4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.079 2.460 3.938 1.00 0.00 H new ATOM 0 HE ARG A 105 16.054 2.420 5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.744 2.052 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.375 2.649 2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 105 18.147 3.187 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.729 3.289 3.909 1.00 0.00 H new ATOM 1590 N VAL A 106 11.794 3.895 3.521 1.00 0.00 N ATOM 1591 CA VAL A 106 12.198 4.583 2.301 1.00 0.00 C ATOM 1592 C VAL A 106 13.703 4.823 2.278 1.00 0.00 C ATOM 1593 O VAL A 106 14.397 4.583 3.267 1.00 0.00 O ATOM 1594 CB VAL A 106 11.471 5.932 2.151 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.968 5.721 2.054 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.815 6.854 3.311 1.00 0.00 C ATOM 0 H VAL A 106 11.545 4.515 4.292 1.00 0.00 H new ATOM 0 HA VAL A 106 11.924 3.937 1.467 1.00 0.00 H new ATOM 0 HB VAL A 106 11.807 6.406 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.471 6.685 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.743 5.100 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.611 5.226 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.293 7.803 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.509 6.389 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.890 7.031 3.328 1.00 0.00 H new ATOM 1606 N LYS A 107 14.203 5.300 1.143 1.00 0.00 N ATOM 1607 CA LYS A 107 15.627 5.575 0.990 1.00 0.00 C ATOM 1608 C LYS A 107 16.041 6.780 1.829 1.00 0.00 C ATOM 1609 O LYS A 107 17.105 6.781 2.450 1.00 0.00 O ATOM 1610 CB LYS A 107 15.963 5.826 -0.482 1.00 0.00 C ATOM 1611 CG LYS A 107 17.422 6.177 -0.721 1.00 0.00 C ATOM 1612 CD LYS A 107 18.308 4.944 -0.671 1.00 0.00 C ATOM 1613 CE LYS A 107 19.626 5.175 -1.392 1.00 0.00 C ATOM 1614 NZ LYS A 107 20.555 6.021 -0.593 1.00 0.00 N ATOM 0 H LYS A 107 13.643 5.504 0.315 1.00 0.00 H new ATOM 0 HA LYS A 107 16.180 4.703 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.712 4.937 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.337 6.636 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.526 6.662 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.752 6.894 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.502 4.676 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.787 4.101 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.098 4.215 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.435 5.653 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.442 6.155 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.115 6.946 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.758 5.553 0.314 1.00 0.00 H new ATOM 1628 N THR A 108 15.193 7.804 1.846 1.00 0.00 N ATOM 1629 CA THR A 108 15.471 9.014 2.609 1.00 0.00 C ATOM 1630 C THR A 108 14.262 9.430 3.439 1.00 0.00 C ATOM 1631 O THR A 108 13.124 9.352 2.978 1.00 0.00 O ATOM 1632 CB THR A 108 15.872 10.181 1.686 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.885 10.358 0.665 1.00 0.00 O ATOM 1634 CG2 THR A 108 17.229 9.924 1.049 1.00 0.00 C ATOM 0 H THR A 108 14.308 7.819 1.340 1.00 0.00 H new ATOM 0 HA THR A 108 16.303 8.784 3.274 1.00 0.00 H new ATOM 0 HB THR A 108 15.937 11.087 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.146 11.102 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.491 10.761 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.983 9.818 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 108 17.186 9.008 0.459 1.00 0.00 H new ATOM 1642 N SER A 109 14.517 9.873 4.666 1.00 0.00 N ATOM 1643 CA SER A 109 13.449 10.299 5.563 1.00 0.00 C ATOM 1644 C SER A 109 12.520 11.291 4.869 1.00 0.00 C ATOM 1645 O SER A 109 11.301 11.125 4.875 1.00 0.00 O ATOM 1646 CB SER A 109 14.036 10.930 6.827 1.00 0.00 C ATOM 1647 OG SER A 109 13.014 11.276 7.746 1.00 0.00 O ATOM 0 H SER A 109 15.454 9.946 5.062 1.00 0.00 H new ATOM 0 HA SER A 109 12.869 9.419 5.841 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.731 10.233 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.607 11.820 6.562 1.00 0.00 H new ATOM 0 HG SER A 109 12.922 10.566 8.415 1.00 0.00 H new ATOM 1653 N GLU A 110 13.108 12.323 4.271 1.00 0.00 N ATOM 1654 CA GLU A 110 12.334 13.342 3.573 1.00 0.00 C ATOM 1655 C GLU A 110 11.232 12.707 2.730 1.00 0.00 C ATOM 1656 O GLU A 110 10.117 13.224 2.655 1.00 0.00 O ATOM 1657 CB GLU A 110 13.248 14.188 2.683 1.00 0.00 C ATOM 1658 CG GLU A 110 13.964 13.386 1.610 1.00 0.00 C ATOM 1659 CD GLU A 110 14.547 14.263 0.519 1.00 0.00 C ATOM 1660 OE1 GLU A 110 13.773 14.733 -0.341 1.00 0.00 O ATOM 1661 OE2 GLU A 110 15.777 14.479 0.524 1.00 0.00 O ATOM 0 H GLU A 110 14.117 12.475 4.256 1.00 0.00 H new ATOM 0 HA GLU A 110 11.870 13.985 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.656 14.969 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.989 14.687 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.763 12.804 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.267 12.676 1.166 1.00 0.00 H new ATOM 1668 N ASP A 111 11.552 11.583 2.098 1.00 0.00 N ATOM 1669 CA ASP A 111 10.590 10.876 1.260 1.00 0.00 C ATOM 1670 C ASP A 111 9.436 10.335 2.098 1.00 0.00 C ATOM 1671 O ASP A 111 8.277 10.400 1.690 1.00 0.00 O ATOM 1672 CB ASP A 111 11.277 9.731 0.514 1.00 0.00 C ATOM 1673 CG ASP A 111 12.212 10.225 -0.571 1.00 0.00 C ATOM 1674 OD1 ASP A 111 12.629 11.400 -0.505 1.00 0.00 O ATOM 1675 OD2 ASP A 111 12.526 9.438 -1.489 1.00 0.00 O ATOM 0 H ASP A 111 12.470 11.142 2.150 1.00 0.00 H new ATOM 0 HA ASP A 111 10.188 11.582 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.838 9.124 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.520 9.085 0.070 1.00 0.00 H new ATOM 1680 N ALA A 112 9.761 9.800 3.270 1.00 0.00 N ATOM 1681 CA ALA A 112 8.752 9.248 4.164 1.00 0.00 C ATOM 1682 C ALA A 112 7.768 10.324 4.612 1.00 0.00 C ATOM 1683 O ALA A 112 6.555 10.109 4.610 1.00 0.00 O ATOM 1684 CB ALA A 112 9.413 8.601 5.372 1.00 0.00 C ATOM 0 H ALA A 112 10.716 9.737 3.622 1.00 0.00 H new ATOM 0 HA ALA A 112 8.196 8.487 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.647 8.193 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.071 7.798 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.995 9.348 5.912 1.00 0.00 H new ATOM 1690 N ASP A 113 8.297 11.481 4.994 1.00 0.00 N ATOM 1691 CA ASP A 113 7.464 12.591 5.443 1.00 0.00 C ATOM 1692 C ASP A 113 6.340 12.864 4.449 1.00 0.00 C ATOM 1693 O ASP A 113 5.176 12.978 4.832 1.00 0.00 O ATOM 1694 CB ASP A 113 8.313 13.849 5.631 1.00 0.00 C ATOM 1695 CG ASP A 113 8.872 13.967 7.036 1.00 0.00 C ATOM 1696 OD1 ASP A 113 9.863 13.271 7.339 1.00 0.00 O ATOM 1697 OD2 ASP A 113 8.317 14.753 7.831 1.00 0.00 O ATOM 0 H ASP A 113 9.298 11.675 5.002 1.00 0.00 H new ATOM 0 HA ASP A 113 7.019 12.316 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.135 13.839 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.708 14.728 5.409 1.00 0.00 H new ATOM 1702 N GLU A 114 6.697 12.968 3.173 1.00 0.00 N ATOM 1703 CA GLU A 114 5.718 13.230 2.125 1.00 0.00 C ATOM 1704 C GLU A 114 4.701 12.096 2.035 1.00 0.00 C ATOM 1705 O GLU A 114 3.492 12.331 2.016 1.00 0.00 O ATOM 1706 CB GLU A 114 6.417 13.412 0.777 1.00 0.00 C ATOM 1707 CG GLU A 114 5.457 13.595 -0.387 1.00 0.00 C ATOM 1708 CD GLU A 114 4.809 14.966 -0.399 1.00 0.00 C ATOM 1709 OE1 GLU A 114 4.648 15.555 0.691 1.00 0.00 O ATOM 1710 OE2 GLU A 114 4.464 15.450 -1.497 1.00 0.00 O ATOM 0 H GLU A 114 7.657 12.875 2.840 1.00 0.00 H new ATOM 0 HA GLU A 114 5.190 14.149 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.076 14.278 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.047 12.544 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.994 13.443 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.681 12.831 -0.337 1.00 0.00 H new ATOM 1717 N LEU A 115 5.199 10.866 1.979 1.00 0.00 N ATOM 1718 CA LEU A 115 4.336 9.694 1.890 1.00 0.00 C ATOM 1719 C LEU A 115 3.297 9.696 3.007 1.00 0.00 C ATOM 1720 O LEU A 115 2.122 9.407 2.778 1.00 0.00 O ATOM 1721 CB LEU A 115 5.171 8.414 1.958 1.00 0.00 C ATOM 1722 CG LEU A 115 4.407 7.130 2.283 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.404 6.813 1.185 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.372 5.970 2.478 1.00 0.00 C ATOM 0 H LEU A 115 6.197 10.654 1.994 1.00 0.00 H new ATOM 0 HA LEU A 115 3.815 9.730 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.674 8.281 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.948 8.551 2.710 1.00 0.00 H new ATOM 0 HG LEU A 115 3.860 7.281 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.870 5.896 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.693 7.634 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.929 6.682 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.811 5.065 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.947 5.818 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.051 6.196 3.301 1.00 0.00 H new ATOM 1736 N HIS A 116 3.738 10.026 4.217 1.00 0.00 N ATOM 1737 CA HIS A 116 2.846 10.070 5.370 1.00 0.00 C ATOM 1738 C HIS A 116 1.789 11.156 5.199 1.00 0.00 C ATOM 1739 O HIS A 116 0.610 10.941 5.480 1.00 0.00 O ATOM 1740 CB HIS A 116 3.645 10.316 6.651 1.00 0.00 C ATOM 1741 CG HIS A 116 2.813 10.262 7.895 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.750 11.109 8.127 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.892 9.454 8.979 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.212 10.825 9.300 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.887 9.825 9.837 1.00 0.00 N ATOM 0 H HIS A 116 4.707 10.267 4.424 1.00 0.00 H new ATOM 0 HA HIS A 116 2.342 9.106 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.439 9.573 6.722 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.126 11.292 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.612 8.665 9.139 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.364 11.326 9.744 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.693 9.398 10.743 1.00 0.00 H new ATOM 1753 N LYS A 117 2.219 12.326 4.737 1.00 0.00 N ATOM 1754 CA LYS A 117 1.311 13.447 4.527 1.00 0.00 C ATOM 1755 C LYS A 117 0.217 13.082 3.528 1.00 0.00 C ATOM 1756 O LYS A 117 -0.970 13.268 3.798 1.00 0.00 O ATOM 1757 CB LYS A 117 2.084 14.670 4.029 1.00 0.00 C ATOM 1758 CG LYS A 117 1.400 15.990 4.340 1.00 0.00 C ATOM 1759 CD LYS A 117 2.268 17.174 3.946 1.00 0.00 C ATOM 1760 CE LYS A 117 1.466 18.466 3.914 1.00 0.00 C ATOM 1761 NZ LYS A 117 2.338 19.664 4.067 1.00 0.00 N ATOM 0 H LYS A 117 3.192 12.522 4.501 1.00 0.00 H new ATOM 0 HA LYS A 117 0.842 13.685 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.077 14.670 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.223 14.587 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.449 16.042 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.174 16.042 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.092 17.273 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.709 16.993 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.921 18.532 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.724 18.453 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.754 20.524 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.840 19.614 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.030 19.691 3.291 1.00 0.00 H new ATOM 1775 N ILE A 118 0.625 12.560 2.376 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.321 12.167 1.339 1.00 0.00 C ATOM 1777 C ILE A 118 -1.379 11.219 1.891 1.00 0.00 C ATOM 1778 O ILE A 118 -2.577 11.500 1.822 1.00 0.00 O ATOM 1779 CB ILE A 118 0.393 11.488 0.155 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.381 12.458 -0.497 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.624 10.995 -0.864 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.361 11.784 -1.432 1.00 0.00 C ATOM 0 H ILE A 118 1.604 12.400 2.137 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.802 13.080 0.988 1.00 0.00 H new ATOM 0 HB ILE A 118 0.950 10.629 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.824 13.214 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.935 12.979 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.105 10.518 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.292 10.275 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.205 11.839 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.030 12.531 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.944 11.048 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.815 11.287 -2.234 1.00 0.00 H new ATOM 1794 N LEU A 119 -0.931 10.096 2.442 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.840 9.106 3.009 1.00 0.00 C ATOM 1796 C LEU A 119 -2.976 9.782 3.770 1.00 0.00 C ATOM 1797 O LEU A 119 -4.122 9.333 3.724 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.078 8.161 3.940 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.272 7.054 3.260 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.906 6.641 4.128 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.160 5.855 2.958 1.00 0.00 C ATOM 0 H LEU A 119 0.056 9.848 2.508 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.270 8.531 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.398 8.755 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.794 7.697 4.619 1.00 0.00 H new ATOM 0 HG LEU A 119 0.115 7.441 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.468 5.852 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.556 7.501 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.540 6.274 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.569 5.077 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.577 5.468 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.970 6.160 2.296 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.651 10.865 4.467 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.645 11.606 5.236 1.00 0.00 C ATOM 1815 C LEU A 120 -4.546 12.424 4.317 1.00 0.00 C ATOM 1816 O LEU A 120 -5.764 12.455 4.494 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.956 12.526 6.245 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.564 11.888 7.578 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.803 11.510 8.374 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -1.684 10.668 7.347 1.00 0.00 C ATOM 0 H LEU A 120 -1.708 11.250 4.516 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.263 10.886 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.057 12.932 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.617 13.368 6.449 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.996 12.618 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.504 11.057 9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.396 12.403 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.399 10.798 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.415 10.227 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.227 9.935 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.779 10.967 6.818 1.00 0.00 H new ATOM 1832 N GLU A 121 -3.940 13.083 3.335 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.689 13.900 2.388 1.00 0.00 C ATOM 1834 C GLU A 121 -5.707 13.055 1.628 1.00 0.00 C ATOM 1835 O GLU A 121 -6.877 13.423 1.517 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.736 14.580 1.402 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.102 15.849 1.945 1.00 0.00 C ATOM 1838 CD GLU A 121 -2.702 16.817 0.848 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -3.582 17.557 0.360 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -1.510 16.835 0.478 1.00 0.00 O ATOM 0 H GLU A 121 -2.933 13.067 3.174 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.225 14.665 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.948 13.878 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.281 14.818 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.802 16.340 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.222 15.588 2.533 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.254 11.921 1.105 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.124 11.022 0.355 1.00 0.00 C ATOM 1849 C LYS A 122 -6.995 10.197 1.297 1.00 0.00 C ATOM 1850 O LYS A 122 -7.667 9.256 0.874 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.290 10.094 -0.531 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.413 10.831 -1.529 1.00 0.00 C ATOM 1853 CD LYS A 122 -5.239 11.465 -2.636 1.00 0.00 C ATOM 1854 CE LYS A 122 -4.376 12.309 -3.561 1.00 0.00 C ATOM 1855 NZ LYS A 122 -5.127 12.753 -4.768 1.00 0.00 N ATOM 0 H LYS A 122 -4.289 11.602 1.187 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.775 11.628 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.659 9.470 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.959 9.425 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.842 11.603 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.692 10.138 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.737 10.685 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.020 12.086 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.009 13.181 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.502 11.734 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.504 13.325 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.455 11.921 -5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.946 13.323 -4.477 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.979 10.555 2.576 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.769 9.850 3.579 1.00 0.00 C ATOM 1871 C LYS A 123 -8.564 10.831 4.434 1.00 0.00 C ATOM 1872 O LYS A 123 -8.020 11.465 5.338 1.00 0.00 O ATOM 1873 CB LYS A 123 -6.859 9.002 4.470 1.00 0.00 C ATOM 1874 CG LYS A 123 -7.563 8.431 5.689 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.583 8.141 6.814 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.297 9.386 7.639 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.408 9.694 8.582 1.00 0.00 N ATOM 0 H LYS A 123 -6.427 11.330 2.943 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.471 9.197 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -6.449 8.182 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.017 9.611 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.319 9.135 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.084 7.514 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.988 7.361 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.652 7.758 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.373 9.246 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.140 10.235 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.455 10.721 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.308 9.364 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.238 9.213 9.488 1.00 0.00 H new ATOM 1891 N ASP A 124 -9.855 10.951 4.142 1.00 0.00 N ATOM 1892 CA ASP A 124 -10.726 11.854 4.886 1.00 0.00 C ATOM 1893 C ASP A 124 -10.278 13.302 4.720 1.00 0.00 C ATOM 1894 O ASP A 124 -10.261 14.071 5.680 1.00 0.00 O ATOM 1895 CB ASP A 124 -10.738 11.478 6.369 1.00 0.00 C ATOM 1896 CG ASP A 124 -12.049 11.830 7.044 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -13.113 11.446 6.513 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -12.012 12.487 8.105 1.00 0.00 O ATOM 0 H ASP A 124 -10.321 10.435 3.396 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.735 11.757 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.556 10.408 6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.922 11.991 6.878 1.00 0.00 H new ATOM 1903 N ALA A 125 -9.914 13.666 3.494 1.00 0.00 N ATOM 1904 CA ALA A 125 -9.466 15.022 3.202 1.00 0.00 C ATOM 1905 C ALA A 125 -10.332 16.053 3.918 1.00 0.00 C ATOM 1906 O ALA A 125 -9.893 17.174 4.178 1.00 0.00 O ATOM 1907 CB ALA A 125 -9.480 15.270 1.701 1.00 0.00 C ATOM 0 H ALA A 125 -9.921 13.041 2.688 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.445 15.127 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.143 16.286 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -8.814 14.561 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.493 15.140 1.320 1.00 0.00 H new