USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 798 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 21 LYS NZ :NH3+ -177:sc= 0.207 (180deg=-0.0402) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.0658 K(o=0.14,f=-2.8) USER MOD Set 2.1: A 32 CYS SG : rot -158:sc= -2.51! USER MOD Set 2.2: A 35 CYS SG : rot 180:sc= -0.598! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 0.186 (180deg=0.184) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.35) USER MOD Single : A 28 SER OG : rot 180:sc= 0.222 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= -0.177 (180deg=-0.654) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= 0.992 (180deg=0.31) USER MOD Single : A 43 HIS : no HE2:sc= -0.473 K(o=-0.47,f=-5.6!) USER MOD Single : A 44 SER OG : rot -112:sc= 0.518 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 57:sc= -0.148 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 90:sc= 1.23 USER MOD Single : A 69 CYS SG : rot 153:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 76 THR OG1 : rot 90:sc= 0.639 USER MOD Single : A 78 GLN : amide:sc= -2.5 K(o=-2.5,f=-6.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 161:sc=8.27e-05 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.13! K(o=-6.1!,f=-0.27) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -0.0631 (180deg=-0.653) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 75:sc= 0.112 USER MOD Single : A 102 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.518 -0.130 8.899 1.00 0.24 N ATOM 21 CA VAL A 2 -3.174 -0.053 8.257 1.00 0.25 C ATOM 22 C VAL A 2 -2.214 -1.055 8.913 1.00 0.26 C ATOM 23 O VAL A 2 -2.273 -1.281 10.106 1.00 0.28 O ATOM 24 CB VAL A 2 -2.623 1.363 8.409 1.00 0.32 C ATOM 25 CG1 VAL A 2 -1.273 1.450 7.699 1.00 0.40 C ATOM 26 CG2 VAL A 2 -3.595 2.354 7.762 1.00 0.26 C ATOM 0 HA VAL A 2 -3.268 -0.299 7.199 1.00 0.25 H new ATOM 0 HB VAL A 2 -2.503 1.602 9.466 1.00 0.32 H new ATOM 0 HG11 VAL A 2 -0.872 2.458 7.802 1.00 0.40 H new ATOM 0 HG12 VAL A 2 -0.580 0.736 8.145 1.00 0.40 H new ATOM 0 HG13 VAL A 2 -1.402 1.218 6.642 1.00 0.40 H new ATOM 0 HG21 VAL A 2 -3.206 3.367 7.868 1.00 0.26 H new ATOM 0 HG22 VAL A 2 -3.706 2.117 6.704 1.00 0.26 H new ATOM 0 HG23 VAL A 2 -4.566 2.285 8.253 1.00 0.26 H new ATOM 36 N LYS A 3 -1.351 -1.633 8.116 1.00 0.31 N ATOM 37 CA LYS A 3 -0.381 -2.628 8.673 1.00 0.33 C ATOM 38 C LYS A 3 0.998 -2.442 8.030 1.00 0.26 C ATOM 39 O LYS A 3 1.105 -2.196 6.844 1.00 0.14 O ATOM 40 CB LYS A 3 -0.891 -4.040 8.379 1.00 0.35 C ATOM 41 CG LYS A 3 -0.035 -5.055 9.140 1.00 0.34 C ATOM 42 CD LYS A 3 -0.500 -6.470 8.785 1.00 0.36 C ATOM 43 CE LYS A 3 0.578 -7.472 9.201 1.00 0.92 C ATOM 44 NZ LYS A 3 0.130 -8.867 8.927 1.00 1.49 N ATOM 0 H LYS A 3 -1.275 -1.462 7.113 1.00 0.31 H new ATOM 0 HA LYS A 3 -0.292 -2.478 9.749 1.00 0.33 H new ATOM 0 HB2 LYS A 3 -1.935 -4.131 8.677 1.00 0.35 H new ATOM 0 HB3 LYS A 3 -0.847 -4.240 7.308 1.00 0.35 H new ATOM 0 HG2 LYS A 3 1.016 -4.929 8.881 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.121 -4.889 10.214 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.438 -6.695 9.292 1.00 0.36 H new ATOM 0 HD3 LYS A 3 -0.690 -6.546 7.714 1.00 0.36 H new ATOM 0 HE2 LYS A 3 1.501 -7.267 8.659 1.00 0.92 H new ATOM 0 HE3 LYS A 3 0.799 -7.357 10.262 1.00 0.92 H new ATOM 0 HZ1 LYS A 3 0.874 -9.534 9.216 1.00 1.49 H new ATOM 0 HZ2 LYS A 3 -0.739 -9.064 9.464 1.00 1.49 H new ATOM 0 HZ3 LYS A 3 -0.059 -8.978 7.910 1.00 1.49 H new ATOM 58 N GLN A 4 2.026 -2.567 8.830 1.00 0.35 N ATOM 59 CA GLN A 4 3.411 -2.403 8.290 1.00 0.30 C ATOM 60 C GLN A 4 4.058 -3.774 8.066 1.00 0.30 C ATOM 61 O GLN A 4 3.907 -4.674 8.870 1.00 0.38 O ATOM 62 CB GLN A 4 4.244 -1.601 9.290 1.00 0.41 C ATOM 63 CG GLN A 4 5.640 -1.365 8.709 1.00 0.39 C ATOM 64 CD GLN A 4 6.343 -0.263 9.506 1.00 0.44 C ATOM 65 OE1 GLN A 4 6.434 0.868 9.073 1.00 1.41 O ATOM 66 NE2 GLN A 4 6.852 -0.550 10.673 1.00 0.95 N ATOM 0 H GLN A 4 1.968 -2.774 9.827 1.00 0.35 H new ATOM 0 HA GLN A 4 3.366 -1.877 7.337 1.00 0.30 H new ATOM 0 HB2 GLN A 4 3.760 -0.648 9.503 1.00 0.41 H new ATOM 0 HB3 GLN A 4 4.317 -2.139 10.235 1.00 0.41 H new ATOM 0 HG2 GLN A 4 6.223 -2.285 8.748 1.00 0.39 H new ATOM 0 HG3 GLN A 4 5.566 -1.079 7.660 1.00 0.39 H new ATOM 0 HE21 GLN A 4 6.779 -1.498 11.042 1.00 0.95 H new ATOM 0 HE22 GLN A 4 7.323 0.174 11.216 1.00 0.95 H new ATOM 75 N ILE A 5 4.767 -3.905 6.978 1.00 0.23 N ATOM 76 CA ILE A 5 5.432 -5.211 6.686 1.00 0.28 C ATOM 77 C ILE A 5 6.857 -5.208 7.252 1.00 0.33 C ATOM 78 O ILE A 5 7.377 -4.171 7.617 1.00 0.27 O ATOM 79 CB ILE A 5 5.484 -5.414 5.163 1.00 0.26 C ATOM 80 CG1 ILE A 5 4.120 -5.034 4.560 1.00 0.27 C ATOM 81 CG2 ILE A 5 5.819 -6.886 4.824 1.00 0.33 C ATOM 82 CD1 ILE A 5 3.002 -5.770 5.311 1.00 0.50 C ATOM 0 H ILE A 5 4.915 -3.173 6.283 1.00 0.23 H new ATOM 0 HA ILE A 5 4.868 -6.020 7.150 1.00 0.28 H new ATOM 0 HB ILE A 5 6.264 -4.779 4.742 1.00 0.26 H new ATOM 0 HG12 ILE A 5 3.969 -3.957 4.627 1.00 0.27 H new ATOM 0 HG13 ILE A 5 4.094 -5.294 3.502 1.00 0.27 H new ATOM 0 HG21 ILE A 5 5.852 -7.012 3.742 1.00 0.33 H new ATOM 0 HG22 ILE A 5 6.789 -7.146 5.249 1.00 0.33 H new ATOM 0 HG23 ILE A 5 5.053 -7.539 5.242 1.00 0.33 H new ATOM 0 HD11 ILE A 5 2.037 -5.500 4.883 1.00 0.50 H new ATOM 0 HD12 ILE A 5 3.150 -6.846 5.221 1.00 0.50 H new ATOM 0 HD13 ILE A 5 3.024 -5.488 6.364 1.00 0.50 H new ATOM 94 N GLU A 6 7.455 -6.370 7.309 1.00 0.57 N ATOM 95 CA GLU A 6 8.839 -6.472 7.844 1.00 0.63 C ATOM 96 C GLU A 6 9.721 -7.264 6.873 1.00 0.62 C ATOM 97 O GLU A 6 10.848 -6.890 6.610 1.00 0.53 O ATOM 98 CB GLU A 6 8.792 -7.189 9.185 1.00 0.65 C ATOM 99 CG GLU A 6 10.130 -7.009 9.882 1.00 1.67 C ATOM 100 CD GLU A 6 10.111 -7.749 11.221 1.00 1.65 C ATOM 101 OE1 GLU A 6 9.514 -7.203 12.133 1.00 1.85 O ATOM 102 OE2 GLU A 6 10.695 -8.820 11.255 1.00 2.04 O ATOM 0 H GLU A 6 7.041 -7.252 7.007 1.00 0.57 H new ATOM 0 HA GLU A 6 9.258 -5.473 7.966 1.00 0.63 H new ATOM 0 HB2 GLU A 6 7.988 -6.786 9.801 1.00 0.65 H new ATOM 0 HB3 GLU A 6 8.581 -8.249 9.040 1.00 0.65 H new ATOM 0 HG2 GLU A 6 10.934 -7.393 9.254 1.00 1.67 H new ATOM 0 HG3 GLU A 6 10.329 -5.949 10.043 1.00 1.67 H new ATOM 109 N SER A 7 9.187 -8.344 6.365 1.00 0.74 N ATOM 110 CA SER A 7 9.973 -9.183 5.408 1.00 0.74 C ATOM 111 C SER A 7 9.094 -9.601 4.224 1.00 0.66 C ATOM 112 O SER A 7 7.943 -9.221 4.137 1.00 0.62 O ATOM 113 CB SER A 7 10.478 -10.427 6.135 1.00 0.77 C ATOM 114 OG SER A 7 9.297 -11.142 6.463 1.00 0.62 O ATOM 0 H SER A 7 8.246 -8.681 6.569 1.00 0.74 H new ATOM 0 HA SER A 7 10.817 -8.605 5.031 1.00 0.74 H new ATOM 0 HB2 SER A 7 11.138 -11.018 5.501 1.00 0.77 H new ATOM 0 HB3 SER A 7 11.045 -10.164 7.028 1.00 0.77 H new ATOM 0 HG SER A 7 9.535 -11.966 6.937 1.00 0.62 H new ATOM 120 N LYS A 8 9.657 -10.376 3.339 1.00 0.66 N ATOM 121 CA LYS A 8 8.871 -10.826 2.152 1.00 0.60 C ATOM 122 C LYS A 8 7.815 -11.846 2.567 1.00 0.54 C ATOM 123 O LYS A 8 6.659 -11.730 2.209 1.00 0.58 O ATOM 124 CB LYS A 8 9.820 -11.456 1.135 1.00 0.63 C ATOM 125 CG LYS A 8 9.019 -11.898 -0.092 1.00 0.59 C ATOM 126 CD LYS A 8 9.966 -12.019 -1.288 1.00 0.95 C ATOM 127 CE LYS A 8 9.301 -12.877 -2.367 1.00 0.83 C ATOM 128 NZ LYS A 8 9.885 -12.576 -3.705 1.00 2.01 N ATOM 0 H LYS A 8 10.618 -10.716 3.383 1.00 0.66 H new ATOM 0 HA LYS A 8 8.368 -9.966 1.710 1.00 0.60 H new ATOM 0 HB2 LYS A 8 10.588 -10.740 0.844 1.00 0.63 H new ATOM 0 HB3 LYS A 8 10.332 -12.311 1.578 1.00 0.63 H new ATOM 0 HG2 LYS A 8 8.532 -12.854 0.101 1.00 0.59 H new ATOM 0 HG3 LYS A 8 8.231 -11.176 -0.307 1.00 0.59 H new ATOM 0 HD2 LYS A 8 10.200 -11.031 -1.684 1.00 0.95 H new ATOM 0 HD3 LYS A 8 10.909 -12.469 -0.977 1.00 0.95 H new ATOM 0 HE2 LYS A 8 9.435 -13.933 -2.134 1.00 0.83 H new ATOM 0 HE3 LYS A 8 8.228 -12.687 -2.381 1.00 0.83 H new ATOM 0 HZ1 LYS A 8 9.459 -13.202 -4.418 1.00 2.01 H new ATOM 0 HZ2 LYS A 8 9.691 -11.585 -3.954 1.00 2.01 H new ATOM 0 HZ3 LYS A 8 10.913 -12.731 -3.678 1.00 2.01 H new ATOM 142 N THR A 9 8.232 -12.820 3.311 1.00 0.52 N ATOM 143 CA THR A 9 7.264 -13.857 3.759 1.00 0.57 C ATOM 144 C THR A 9 6.027 -13.181 4.326 1.00 0.57 C ATOM 145 O THR A 9 4.916 -13.635 4.135 1.00 0.67 O ATOM 146 CB THR A 9 7.914 -14.730 4.834 1.00 0.68 C ATOM 147 OG1 THR A 9 8.930 -15.455 4.148 1.00 0.79 O ATOM 148 CG2 THR A 9 6.945 -15.787 5.356 1.00 0.92 C ATOM 0 H THR A 9 9.193 -12.947 3.629 1.00 0.52 H new ATOM 0 HA THR A 9 6.978 -14.481 2.912 1.00 0.57 H new ATOM 0 HB THR A 9 8.255 -14.109 5.663 1.00 0.68 H new ATOM 0 HG1 THR A 9 9.397 -16.041 4.780 1.00 0.79 H new ATOM 0 HG21 THR A 9 7.440 -16.389 6.118 1.00 0.92 H new ATOM 0 HG22 THR A 9 6.072 -15.298 5.789 1.00 0.92 H new ATOM 0 HG23 THR A 9 6.630 -16.429 4.534 1.00 0.92 H new ATOM 156 N ALA A 10 6.249 -12.106 5.012 1.00 0.54 N ATOM 157 CA ALA A 10 5.107 -11.361 5.594 1.00 0.55 C ATOM 158 C ALA A 10 4.236 -10.820 4.466 1.00 0.47 C ATOM 159 O ALA A 10 3.063 -11.123 4.380 1.00 0.41 O ATOM 160 CB ALA A 10 5.635 -10.202 6.431 1.00 0.53 C ATOM 0 H ALA A 10 7.170 -11.709 5.196 1.00 0.54 H new ATOM 0 HA ALA A 10 4.516 -12.025 6.226 1.00 0.55 H new ATOM 0 HB1 ALA A 10 4.798 -9.652 6.860 1.00 0.53 H new ATOM 0 HB2 ALA A 10 6.264 -10.589 7.233 1.00 0.53 H new ATOM 0 HB3 ALA A 10 6.222 -9.535 5.799 1.00 0.53 H new ATOM 166 N PHE A 11 4.834 -10.028 3.621 1.00 0.46 N ATOM 167 CA PHE A 11 4.069 -9.468 2.476 1.00 0.37 C ATOM 168 C PHE A 11 3.322 -10.600 1.770 1.00 0.26 C ATOM 169 O PHE A 11 2.259 -10.405 1.221 1.00 0.16 O ATOM 170 CB PHE A 11 5.051 -8.818 1.500 1.00 0.51 C ATOM 171 CG PHE A 11 4.277 -8.100 0.391 1.00 0.53 C ATOM 172 CD1 PHE A 11 3.460 -7.021 0.687 1.00 0.49 C ATOM 173 CD2 PHE A 11 4.384 -8.519 -0.925 1.00 0.63 C ATOM 174 CE1 PHE A 11 2.764 -6.377 -0.315 1.00 0.50 C ATOM 175 CE2 PHE A 11 3.687 -7.871 -1.924 1.00 0.67 C ATOM 176 CZ PHE A 11 2.879 -6.802 -1.618 1.00 0.59 C ATOM 0 H PHE A 11 5.813 -9.746 3.674 1.00 0.46 H new ATOM 0 HA PHE A 11 3.353 -8.726 2.829 1.00 0.37 H new ATOM 0 HB2 PHE A 11 5.689 -8.110 2.029 1.00 0.51 H new ATOM 0 HB3 PHE A 11 5.705 -9.576 1.068 1.00 0.51 H new ATOM 0 HD1 PHE A 11 3.367 -6.682 1.708 1.00 0.49 H new ATOM 0 HD2 PHE A 11 5.017 -9.359 -1.171 1.00 0.63 H new ATOM 0 HE1 PHE A 11 2.128 -5.538 -0.076 1.00 0.50 H new ATOM 0 HE2 PHE A 11 3.776 -8.204 -2.947 1.00 0.67 H new ATOM 0 HZ PHE A 11 2.334 -6.296 -2.401 1.00 0.59 H new ATOM 186 N GLN A 12 3.906 -11.764 1.808 1.00 0.36 N ATOM 187 CA GLN A 12 3.264 -12.936 1.145 1.00 0.45 C ATOM 188 C GLN A 12 2.097 -13.464 1.987 1.00 0.39 C ATOM 189 O GLN A 12 1.129 -13.974 1.462 1.00 0.72 O ATOM 190 CB GLN A 12 4.313 -14.036 0.976 1.00 0.65 C ATOM 191 CG GLN A 12 3.799 -15.074 -0.018 1.00 0.67 C ATOM 192 CD GLN A 12 3.834 -14.484 -1.430 1.00 0.48 C ATOM 193 OE1 GLN A 12 2.833 -14.037 -1.954 1.00 1.32 O ATOM 194 NE2 GLN A 12 4.967 -14.463 -2.078 1.00 1.72 N ATOM 0 H GLN A 12 4.796 -11.956 2.267 1.00 0.36 H new ATOM 0 HA GLN A 12 2.874 -12.630 0.174 1.00 0.45 H new ATOM 0 HB2 GLN A 12 5.251 -13.609 0.621 1.00 0.65 H new ATOM 0 HB3 GLN A 12 4.521 -14.507 1.937 1.00 0.65 H new ATOM 0 HG2 GLN A 12 4.413 -15.973 0.028 1.00 0.67 H new ATOM 0 HG3 GLN A 12 2.782 -15.369 0.240 1.00 0.67 H new ATOM 0 HE21 GLN A 12 5.810 -14.837 -1.643 1.00 1.72 H new ATOM 0 HE22 GLN A 12 5.009 -14.073 -3.019 1.00 1.72 H new ATOM 203 N GLU A 13 2.219 -13.325 3.272 1.00 0.45 N ATOM 204 CA GLU A 13 1.134 -13.822 4.172 1.00 0.35 C ATOM 205 C GLU A 13 -0.022 -12.817 4.238 1.00 0.30 C ATOM 206 O GLU A 13 -1.176 -13.193 4.200 1.00 0.51 O ATOM 207 CB GLU A 13 1.707 -14.027 5.572 1.00 0.36 C ATOM 208 CG GLU A 13 2.613 -15.259 5.566 1.00 0.32 C ATOM 209 CD GLU A 13 1.875 -16.432 6.215 1.00 1.11 C ATOM 210 OE1 GLU A 13 1.972 -16.530 7.427 1.00 0.68 O ATOM 211 OE2 GLU A 13 1.256 -17.164 5.461 1.00 2.39 O ATOM 0 H GLU A 13 3.015 -12.893 3.742 1.00 0.45 H new ATOM 0 HA GLU A 13 0.751 -14.763 3.777 1.00 0.35 H new ATOM 0 HB2 GLU A 13 2.271 -13.147 5.880 1.00 0.36 H new ATOM 0 HB3 GLU A 13 0.900 -14.157 6.293 1.00 0.36 H new ATOM 0 HG2 GLU A 13 2.895 -15.512 4.544 1.00 0.32 H new ATOM 0 HG3 GLU A 13 3.535 -15.049 6.108 1.00 0.32 H new ATOM 218 N ALA A 14 0.311 -11.561 4.335 1.00 0.25 N ATOM 219 CA ALA A 14 -0.760 -10.524 4.412 1.00 0.29 C ATOM 220 C ALA A 14 -1.694 -10.631 3.204 1.00 0.27 C ATOM 221 O ALA A 14 -2.884 -10.415 3.314 1.00 0.41 O ATOM 222 CB ALA A 14 -0.113 -9.141 4.438 1.00 0.42 C ATOM 0 H ALA A 14 1.267 -11.208 4.364 1.00 0.25 H new ATOM 0 HA ALA A 14 -1.345 -10.679 5.319 1.00 0.29 H new ATOM 0 HB1 ALA A 14 -0.889 -8.377 4.494 1.00 0.42 H new ATOM 0 HB2 ALA A 14 0.539 -9.061 5.308 1.00 0.42 H new ATOM 0 HB3 ALA A 14 0.473 -8.996 3.531 1.00 0.42 H new ATOM 228 N LEU A 15 -1.133 -10.963 2.076 1.00 0.18 N ATOM 229 CA LEU A 15 -1.973 -11.088 0.850 1.00 0.34 C ATOM 230 C LEU A 15 -2.758 -12.401 0.883 1.00 0.47 C ATOM 231 O LEU A 15 -3.733 -12.564 0.176 1.00 0.53 O ATOM 232 CB LEU A 15 -1.065 -11.066 -0.381 1.00 0.40 C ATOM 233 CG LEU A 15 -0.327 -9.721 -0.448 1.00 0.33 C ATOM 234 CD1 LEU A 15 0.656 -9.750 -1.617 1.00 0.48 C ATOM 235 CD2 LEU A 15 -1.330 -8.583 -0.666 1.00 0.31 C ATOM 0 H LEU A 15 -0.139 -11.152 1.948 1.00 0.18 H new ATOM 0 HA LEU A 15 -2.677 -10.257 0.807 1.00 0.34 H new ATOM 0 HB2 LEU A 15 -0.347 -11.885 -0.331 1.00 0.40 H new ATOM 0 HB3 LEU A 15 -1.656 -11.214 -1.285 1.00 0.40 H new ATOM 0 HG LEU A 15 0.206 -9.556 0.488 1.00 0.33 H new ATOM 0 HD11 LEU A 15 1.184 -8.798 -1.672 1.00 0.48 H new ATOM 0 HD12 LEU A 15 1.375 -10.556 -1.468 1.00 0.48 H new ATOM 0 HD13 LEU A 15 0.111 -9.917 -2.546 1.00 0.48 H new ATOM 0 HD21 LEU A 15 -0.798 -7.633 -0.712 1.00 0.31 H new ATOM 0 HD22 LEU A 15 -1.866 -8.745 -1.601 1.00 0.31 H new ATOM 0 HD23 LEU A 15 -2.041 -8.561 0.160 1.00 0.31 H new ATOM 247 N ASP A 16 -2.316 -13.307 1.706 1.00 0.51 N ATOM 248 CA ASP A 16 -3.024 -14.618 1.801 1.00 0.65 C ATOM 249 C ASP A 16 -4.027 -14.591 2.954 1.00 0.69 C ATOM 250 O ASP A 16 -4.982 -15.342 2.969 1.00 0.81 O ATOM 251 CB ASP A 16 -2.000 -15.728 2.036 1.00 0.71 C ATOM 252 CG ASP A 16 -2.249 -16.864 1.041 1.00 1.58 C ATOM 253 OD1 ASP A 16 -3.254 -17.531 1.220 1.00 0.89 O ATOM 254 OD2 ASP A 16 -1.419 -17.000 0.157 1.00 3.10 O ATOM 0 H ASP A 16 -1.503 -13.202 2.313 1.00 0.51 H new ATOM 0 HA ASP A 16 -3.561 -14.805 0.871 1.00 0.65 H new ATOM 0 HB2 ASP A 16 -0.989 -15.338 1.915 1.00 0.71 H new ATOM 0 HB3 ASP A 16 -2.078 -16.100 3.058 1.00 0.71 H new ATOM 259 N ALA A 17 -3.784 -13.720 3.894 1.00 0.61 N ATOM 260 CA ALA A 17 -4.710 -13.611 5.062 1.00 0.68 C ATOM 261 C ALA A 17 -5.582 -12.362 4.916 1.00 0.55 C ATOM 262 O ALA A 17 -6.272 -11.967 5.834 1.00 0.51 O ATOM 263 CB ALA A 17 -3.885 -13.511 6.345 1.00 0.78 C ATOM 0 H ALA A 17 -2.989 -13.081 3.907 1.00 0.61 H new ATOM 0 HA ALA A 17 -5.352 -14.491 5.103 1.00 0.68 H new ATOM 0 HB1 ALA A 17 -4.554 -13.431 7.202 1.00 0.78 H new ATOM 0 HB2 ALA A 17 -3.266 -14.402 6.450 1.00 0.78 H new ATOM 0 HB3 ALA A 17 -3.247 -12.629 6.299 1.00 0.78 H new ATOM 269 N ALA A 18 -5.528 -11.767 3.755 1.00 0.56 N ATOM 270 CA ALA A 18 -6.338 -10.539 3.515 1.00 0.45 C ATOM 271 C ALA A 18 -7.695 -10.908 2.908 1.00 0.30 C ATOM 272 O ALA A 18 -8.436 -10.050 2.473 1.00 0.33 O ATOM 273 CB ALA A 18 -5.580 -9.634 2.545 1.00 0.49 C ATOM 0 H ALA A 18 -4.961 -12.077 2.966 1.00 0.56 H new ATOM 0 HA ALA A 18 -6.505 -10.025 4.462 1.00 0.45 H new ATOM 0 HB1 ALA A 18 -6.162 -8.731 2.360 1.00 0.49 H new ATOM 0 HB2 ALA A 18 -4.617 -9.363 2.977 1.00 0.49 H new ATOM 0 HB3 ALA A 18 -5.420 -10.161 1.605 1.00 0.49 H new ATOM 279 N GLY A 19 -7.991 -12.179 2.893 1.00 0.22 N ATOM 280 CA GLY A 19 -9.290 -12.615 2.312 1.00 0.20 C ATOM 281 C GLY A 19 -9.359 -12.232 0.835 1.00 0.30 C ATOM 282 O GLY A 19 -8.657 -12.788 0.013 1.00 0.41 O ATOM 0 H GLY A 19 -7.397 -12.926 3.253 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.403 -13.694 2.422 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -10.114 -12.152 2.855 1.00 0.20 H new ATOM 286 N ASP A 20 -10.207 -11.291 0.528 1.00 0.34 N ATOM 287 CA ASP A 20 -10.335 -10.852 -0.895 1.00 0.47 C ATOM 288 C ASP A 20 -10.569 -9.338 -0.982 1.00 0.47 C ATOM 289 O ASP A 20 -10.333 -8.733 -2.008 1.00 0.52 O ATOM 290 CB ASP A 20 -11.510 -11.589 -1.539 1.00 0.66 C ATOM 291 CG ASP A 20 -12.682 -10.619 -1.712 1.00 2.28 C ATOM 292 OD1 ASP A 20 -13.359 -10.407 -0.719 1.00 2.93 O ATOM 293 OD2 ASP A 20 -12.834 -10.148 -2.827 1.00 3.24 O ATOM 0 H ASP A 20 -10.813 -10.809 1.192 1.00 0.34 H new ATOM 0 HA ASP A 20 -9.409 -11.086 -1.421 1.00 0.47 H new ATOM 0 HB2 ASP A 20 -11.213 -11.995 -2.506 1.00 0.66 H new ATOM 0 HB3 ASP A 20 -11.810 -12.433 -0.917 1.00 0.66 H new ATOM 298 N LYS A 21 -11.033 -8.757 0.095 1.00 0.46 N ATOM 299 CA LYS A 21 -11.281 -7.284 0.082 1.00 0.53 C ATOM 300 C LYS A 21 -10.102 -6.561 -0.575 1.00 0.47 C ATOM 301 O LYS A 21 -8.987 -7.043 -0.551 1.00 0.49 O ATOM 302 CB LYS A 21 -11.441 -6.790 1.520 1.00 0.55 C ATOM 303 CG LYS A 21 -12.653 -7.474 2.156 1.00 0.60 C ATOM 304 CD LYS A 21 -12.391 -7.669 3.650 1.00 0.73 C ATOM 305 CE LYS A 21 -13.692 -8.089 4.338 1.00 0.94 C ATOM 306 NZ LYS A 21 -14.570 -6.905 4.557 1.00 2.18 N ATOM 0 H LYS A 21 -11.248 -9.231 0.972 1.00 0.46 H new ATOM 0 HA LYS A 21 -12.188 -7.076 -0.486 1.00 0.53 H new ATOM 0 HB2 LYS A 21 -10.541 -7.010 2.095 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -11.571 -5.708 1.533 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -13.547 -6.869 2.007 1.00 0.60 H new ATOM 0 HG3 LYS A 21 -12.836 -8.436 1.678 1.00 0.60 H new ATOM 0 HD2 LYS A 21 -11.624 -8.429 3.801 1.00 0.73 H new ATOM 0 HD3 LYS A 21 -12.015 -6.745 4.089 1.00 0.73 H new ATOM 0 HE2 LYS A 21 -14.212 -8.827 3.727 1.00 0.94 H new ATOM 0 HE3 LYS A 21 -13.469 -8.565 5.293 1.00 0.94 H new ATOM 0 HZ1 LYS A 21 -15.426 -7.198 5.070 1.00 2.18 H new ATOM 0 HZ2 LYS A 21 -14.059 -6.192 5.115 1.00 2.18 H new ATOM 0 HZ3 LYS A 21 -14.839 -6.498 3.639 1.00 2.18 H new ATOM 320 N LEU A 22 -10.374 -5.421 -1.148 1.00 0.39 N ATOM 321 CA LEU A 22 -9.278 -4.654 -1.812 1.00 0.32 C ATOM 322 C LEU A 22 -8.035 -4.636 -0.920 1.00 0.22 C ATOM 323 O LEU A 22 -8.133 -4.434 0.274 1.00 0.25 O ATOM 324 CB LEU A 22 -9.748 -3.222 -2.053 1.00 0.38 C ATOM 325 CG LEU A 22 -10.036 -3.026 -3.543 1.00 0.28 C ATOM 326 CD1 LEU A 22 -10.717 -1.672 -3.741 1.00 1.50 C ATOM 327 CD2 LEU A 22 -8.718 -3.051 -4.327 1.00 1.03 C ATOM 0 H LEU A 22 -11.297 -4.989 -1.186 1.00 0.39 H new ATOM 0 HA LEU A 22 -9.028 -5.130 -2.760 1.00 0.32 H new ATOM 0 HB2 LEU A 22 -10.645 -3.019 -1.468 1.00 0.38 H new ATOM 0 HB3 LEU A 22 -8.985 -2.517 -1.723 1.00 0.38 H new ATOM 0 HG LEU A 22 -10.685 -3.825 -3.902 1.00 0.28 H new ATOM 0 HD11 LEU A 22 -10.927 -1.522 -4.800 1.00 1.50 H new ATOM 0 HD12 LEU A 22 -11.651 -1.649 -3.179 1.00 1.50 H new ATOM 0 HD13 LEU A 22 -10.060 -0.879 -3.385 1.00 1.50 H new ATOM 0 HD21 LEU A 22 -8.923 -2.911 -5.388 1.00 1.03 H new ATOM 0 HD22 LEU A 22 -8.070 -2.249 -3.974 1.00 1.03 H new ATOM 0 HD23 LEU A 22 -8.223 -4.010 -4.176 1.00 1.03 H new ATOM 339 N VAL A 23 -6.891 -4.851 -1.523 1.00 0.13 N ATOM 340 CA VAL A 23 -5.623 -4.850 -0.733 1.00 0.11 C ATOM 341 C VAL A 23 -4.626 -3.884 -1.379 1.00 0.15 C ATOM 342 O VAL A 23 -3.917 -4.240 -2.299 1.00 0.18 O ATOM 343 CB VAL A 23 -5.048 -6.272 -0.720 1.00 0.13 C ATOM 344 CG1 VAL A 23 -4.067 -6.427 0.443 1.00 0.18 C ATOM 345 CG2 VAL A 23 -6.189 -7.276 -0.542 1.00 0.17 C ATOM 0 H VAL A 23 -6.782 -5.026 -2.522 1.00 0.13 H new ATOM 0 HA VAL A 23 -5.815 -4.528 0.290 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.529 -6.456 -1.661 1.00 0.13 H new ATOM 0 HG11 VAL A 23 -3.663 -7.439 0.446 1.00 0.18 H new ATOM 0 HG12 VAL A 23 -3.253 -5.711 0.330 1.00 0.18 H new ATOM 0 HG13 VAL A 23 -4.585 -6.241 1.384 1.00 0.18 H new ATOM 0 HG21 VAL A 23 -5.785 -8.288 -0.532 1.00 0.17 H new ATOM 0 HG22 VAL A 23 -6.702 -7.081 0.400 1.00 0.17 H new ATOM 0 HG23 VAL A 23 -6.894 -7.175 -1.367 1.00 0.17 H new ATOM 355 N VAL A 24 -4.596 -2.681 -0.875 1.00 0.18 N ATOM 356 CA VAL A 24 -3.671 -1.663 -1.457 1.00 0.23 C ATOM 357 C VAL A 24 -2.366 -1.601 -0.657 1.00 0.32 C ATOM 358 O VAL A 24 -2.348 -1.886 0.521 1.00 0.65 O ATOM 359 CB VAL A 24 -4.360 -0.302 -1.419 1.00 0.28 C ATOM 360 CG1 VAL A 24 -3.431 0.752 -2.016 1.00 0.32 C ATOM 361 CG2 VAL A 24 -5.644 -0.369 -2.248 1.00 0.24 C ATOM 0 H VAL A 24 -5.166 -2.359 -0.093 1.00 0.18 H new ATOM 0 HA VAL A 24 -3.431 -1.938 -2.484 1.00 0.23 H new ATOM 0 HB VAL A 24 -4.598 -0.038 -0.388 1.00 0.28 H new ATOM 0 HG11 VAL A 24 -3.921 1.725 -1.990 1.00 0.32 H new ATOM 0 HG12 VAL A 24 -2.509 0.794 -1.437 1.00 0.32 H new ATOM 0 HG13 VAL A 24 -3.199 0.490 -3.048 1.00 0.32 H new ATOM 0 HG21 VAL A 24 -6.142 0.600 -2.226 1.00 0.24 H new ATOM 0 HG22 VAL A 24 -5.399 -0.627 -3.278 1.00 0.24 H new ATOM 0 HG23 VAL A 24 -6.307 -1.127 -1.832 1.00 0.24 H new ATOM 371 N VAL A 25 -1.302 -1.222 -1.325 1.00 0.14 N ATOM 372 CA VAL A 25 0.021 -1.134 -0.628 1.00 0.16 C ATOM 373 C VAL A 25 0.648 0.243 -0.843 1.00 0.22 C ATOM 374 O VAL A 25 0.667 0.752 -1.947 1.00 0.46 O ATOM 375 CB VAL A 25 0.965 -2.195 -1.196 1.00 0.14 C ATOM 376 CG1 VAL A 25 2.278 -2.165 -0.412 1.00 0.20 C ATOM 377 CG2 VAL A 25 0.338 -3.582 -1.060 1.00 0.09 C ATOM 0 H VAL A 25 -1.292 -0.972 -2.314 1.00 0.14 H new ATOM 0 HA VAL A 25 -0.136 -1.296 0.438 1.00 0.16 H new ATOM 0 HB VAL A 25 1.148 -1.985 -2.250 1.00 0.14 H new ATOM 0 HG11 VAL A 25 2.957 -2.919 -0.811 1.00 0.20 H new ATOM 0 HG12 VAL A 25 2.735 -1.180 -0.505 1.00 0.20 H new ATOM 0 HG13 VAL A 25 2.079 -2.375 0.639 1.00 0.20 H new ATOM 0 HG21 VAL A 25 1.018 -4.330 -1.467 1.00 0.09 H new ATOM 0 HG22 VAL A 25 0.152 -3.796 -0.007 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.604 -3.611 -1.608 1.00 0.09 H new ATOM 387 N ASP A 26 1.149 0.813 0.220 1.00 0.05 N ATOM 388 CA ASP A 26 1.798 2.152 0.103 1.00 0.06 C ATOM 389 C ASP A 26 3.322 1.996 0.140 1.00 0.06 C ATOM 390 O ASP A 26 3.928 2.045 1.193 1.00 0.10 O ATOM 391 CB ASP A 26 1.351 3.028 1.270 1.00 0.11 C ATOM 392 CG ASP A 26 2.060 4.381 1.187 1.00 0.12 C ATOM 393 OD1 ASP A 26 2.218 4.842 0.069 1.00 1.19 O ATOM 394 OD2 ASP A 26 2.403 4.876 2.248 1.00 1.20 O ATOM 0 H ASP A 26 1.138 0.413 1.158 1.00 0.05 H new ATOM 0 HA ASP A 26 1.508 2.614 -0.840 1.00 0.06 H new ATOM 0 HB2 ASP A 26 0.270 3.168 1.241 1.00 0.11 H new ATOM 0 HB3 ASP A 26 1.584 2.540 2.216 1.00 0.11 H new ATOM 399 N PHE A 27 3.905 1.805 -1.009 1.00 0.06 N ATOM 400 CA PHE A 27 5.387 1.646 -1.061 1.00 0.09 C ATOM 401 C PHE A 27 6.062 3.013 -0.923 1.00 0.13 C ATOM 402 O PHE A 27 6.233 3.724 -1.894 1.00 0.18 O ATOM 403 CB PHE A 27 5.774 1.024 -2.399 1.00 0.10 C ATOM 404 CG PHE A 27 5.422 -0.464 -2.397 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.274 -1.381 -1.811 1.00 0.09 C ATOM 406 CD2 PHE A 27 4.250 -0.913 -2.984 1.00 0.11 C ATOM 407 CE1 PHE A 27 5.965 -2.724 -1.811 1.00 0.09 C ATOM 408 CE2 PHE A 27 3.946 -2.264 -2.982 1.00 0.12 C ATOM 409 CZ PHE A 27 4.804 -3.164 -2.396 1.00 0.10 C ATOM 0 H PHE A 27 3.426 1.752 -1.908 1.00 0.06 H new ATOM 0 HA PHE A 27 5.712 1.003 -0.243 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.252 1.530 -3.211 1.00 0.10 H new ATOM 0 HB3 PHE A 27 6.841 1.155 -2.577 1.00 0.10 H new ATOM 0 HD1 PHE A 27 7.190 -1.042 -1.349 1.00 0.09 H new ATOM 0 HD2 PHE A 27 3.573 -0.208 -3.444 1.00 0.11 H new ATOM 0 HE1 PHE A 27 6.638 -3.432 -1.350 1.00 0.09 H new ATOM 0 HE2 PHE A 27 3.033 -2.611 -3.442 1.00 0.12 H new ATOM 0 HZ PHE A 27 4.565 -4.217 -2.396 1.00 0.10 H new ATOM 419 N SER A 28 6.430 3.354 0.283 1.00 0.12 N ATOM 420 CA SER A 28 7.091 4.673 0.501 1.00 0.16 C ATOM 421 C SER A 28 8.161 4.560 1.591 1.00 0.15 C ATOM 422 O SER A 28 8.520 3.472 1.999 1.00 0.24 O ATOM 423 CB SER A 28 6.037 5.693 0.923 1.00 0.20 C ATOM 424 OG SER A 28 6.629 6.950 0.629 1.00 1.64 O ATOM 0 H SER A 28 6.303 2.783 1.119 1.00 0.12 H new ATOM 0 HA SER A 28 7.570 4.992 -0.425 1.00 0.16 H new ATOM 0 HB2 SER A 28 5.106 5.553 0.374 1.00 0.20 H new ATOM 0 HB3 SER A 28 5.798 5.604 1.983 1.00 0.20 H new ATOM 0 HG SER A 28 6.009 7.669 0.872 1.00 1.64 H new ATOM 430 N ALA A 29 8.644 5.692 2.038 1.00 0.10 N ATOM 431 CA ALA A 29 9.695 5.686 3.103 1.00 0.12 C ATOM 432 C ALA A 29 9.115 6.215 4.420 1.00 0.16 C ATOM 433 O ALA A 29 8.550 7.290 4.464 1.00 0.22 O ATOM 434 CB ALA A 29 10.853 6.580 2.663 1.00 0.12 C ATOM 0 H ALA A 29 8.358 6.616 1.714 1.00 0.10 H new ATOM 0 HA ALA A 29 10.047 4.666 3.257 1.00 0.12 H new ATOM 0 HB1 ALA A 29 11.624 6.582 3.433 1.00 0.12 H new ATOM 0 HB2 ALA A 29 11.272 6.200 1.731 1.00 0.12 H new ATOM 0 HB3 ALA A 29 10.490 7.596 2.510 1.00 0.12 H new ATOM 440 N THR A 30 9.267 5.447 5.464 1.00 0.23 N ATOM 441 CA THR A 30 8.728 5.891 6.784 1.00 0.27 C ATOM 442 C THR A 30 9.752 6.774 7.500 1.00 0.21 C ATOM 443 O THR A 30 9.411 7.786 8.080 1.00 0.35 O ATOM 444 CB THR A 30 8.427 4.661 7.643 1.00 0.37 C ATOM 445 OG1 THR A 30 7.899 5.186 8.856 1.00 0.25 O ATOM 446 CG2 THR A 30 9.706 3.930 8.042 1.00 0.44 C ATOM 0 H THR A 30 9.735 4.541 5.463 1.00 0.23 H new ATOM 0 HA THR A 30 7.815 6.465 6.625 1.00 0.27 H new ATOM 0 HB THR A 30 7.774 3.978 7.100 1.00 0.37 H new ATOM 0 HG1 THR A 30 7.679 4.449 9.463 1.00 0.25 H new ATOM 0 HG21 THR A 30 9.454 3.062 8.651 1.00 0.44 H new ATOM 0 HG22 THR A 30 10.233 3.603 7.146 1.00 0.44 H new ATOM 0 HG23 THR A 30 10.346 4.602 8.615 1.00 0.44 H new ATOM 454 N TRP A 31 10.984 6.366 7.445 1.00 0.31 N ATOM 455 CA TRP A 31 12.058 7.158 8.109 1.00 0.37 C ATOM 456 C TRP A 31 12.072 8.593 7.568 1.00 0.36 C ATOM 457 O TRP A 31 12.112 9.546 8.322 1.00 0.40 O ATOM 458 CB TRP A 31 13.395 6.498 7.804 1.00 0.40 C ATOM 459 CG TRP A 31 13.520 6.340 6.288 1.00 0.36 C ATOM 460 CD1 TRP A 31 13.042 5.301 5.609 1.00 0.32 C ATOM 461 CD2 TRP A 31 14.081 7.219 5.472 1.00 0.35 C ATOM 462 NE1 TRP A 31 13.342 5.589 4.335 1.00 0.29 N ATOM 463 CE2 TRP A 31 13.997 6.783 4.162 1.00 0.30 C ATOM 464 CE3 TRP A 31 14.684 8.441 5.744 1.00 0.39 C ATOM 465 CZ2 TRP A 31 14.507 7.553 3.141 1.00 0.30 C ATOM 466 CZ3 TRP A 31 15.192 9.206 4.714 1.00 0.40 C ATOM 467 CH2 TRP A 31 15.104 8.762 3.415 1.00 0.35 C ATOM 0 H TRP A 31 11.297 5.519 6.970 1.00 0.31 H new ATOM 0 HA TRP A 31 11.878 7.190 9.184 1.00 0.37 H new ATOM 0 HB2 TRP A 31 14.214 7.104 8.191 1.00 0.40 H new ATOM 0 HB3 TRP A 31 13.459 5.526 8.293 1.00 0.40 H new ATOM 0 HD1 TRP A 31 12.532 4.430 5.994 1.00 0.32 H new ATOM 0 HE1 TRP A 31 13.103 4.972 3.558 1.00 0.29 H new ATOM 0 HE3 TRP A 31 14.755 8.792 6.763 1.00 0.39 H new ATOM 0 HZ2 TRP A 31 14.438 7.206 2.120 1.00 0.30 H new ATOM 0 HZ3 TRP A 31 15.660 10.156 4.928 1.00 0.40 H new ATOM 0 HH2 TRP A 31 15.503 9.362 2.611 1.00 0.35 H new ATOM 478 N CYS A 32 12.035 8.712 6.267 1.00 0.31 N ATOM 479 CA CYS A 32 12.055 10.070 5.651 1.00 0.34 C ATOM 480 C CYS A 32 10.994 10.963 6.301 1.00 0.36 C ATOM 481 O CYS A 32 10.175 10.498 7.067 1.00 0.42 O ATOM 482 CB CYS A 32 11.772 9.948 4.156 1.00 0.31 C ATOM 483 SG CYS A 32 11.058 11.388 3.325 1.00 0.68 S ATOM 0 H CYS A 32 11.992 7.934 5.609 1.00 0.31 H new ATOM 0 HA CYS A 32 13.036 10.518 5.807 1.00 0.34 H new ATOM 0 HB2 CYS A 32 12.708 9.699 3.655 1.00 0.31 H new ATOM 0 HB3 CYS A 32 11.097 9.105 4.008 1.00 0.31 H new ATOM 0 HG CYS A 32 10.461 11.008 2.235 1.00 0.68 H new ATOM 489 N GLY A 33 11.034 12.229 5.977 1.00 0.33 N ATOM 490 CA GLY A 33 10.038 13.171 6.567 1.00 0.35 C ATOM 491 C GLY A 33 8.881 13.433 5.586 1.00 0.36 C ATOM 492 O GLY A 33 7.774 12.980 5.795 1.00 0.36 O ATOM 0 H GLY A 33 11.707 12.648 5.335 1.00 0.33 H new ATOM 0 HA2 GLY A 33 9.646 12.757 7.496 1.00 0.35 H new ATOM 0 HA3 GLY A 33 10.527 14.112 6.819 1.00 0.35 H new ATOM 496 N PRO A 34 9.172 14.165 4.526 1.00 0.37 N ATOM 497 CA PRO A 34 8.162 14.500 3.509 1.00 0.38 C ATOM 498 C PRO A 34 7.407 13.252 3.036 1.00 0.35 C ATOM 499 O PRO A 34 6.234 13.318 2.723 1.00 0.44 O ATOM 500 CB PRO A 34 8.951 15.118 2.352 1.00 0.39 C ATOM 501 CG PRO A 34 10.416 15.323 2.848 1.00 0.38 C ATOM 502 CD PRO A 34 10.518 14.698 4.255 1.00 0.38 C ATOM 0 HA PRO A 34 7.407 15.179 3.906 1.00 0.38 H new ATOM 0 HB2 PRO A 34 8.928 14.465 1.479 1.00 0.39 H new ATOM 0 HB3 PRO A 34 8.511 16.068 2.051 1.00 0.39 H new ATOM 0 HG2 PRO A 34 11.122 14.850 2.166 1.00 0.38 H new ATOM 0 HG3 PRO A 34 10.666 16.384 2.880 1.00 0.38 H new ATOM 0 HD2 PRO A 34 11.270 13.909 4.284 1.00 0.38 H new ATOM 0 HD3 PRO A 34 10.807 15.441 4.998 1.00 0.38 H new ATOM 510 N CYS A 35 8.089 12.147 2.989 1.00 0.26 N ATOM 511 CA CYS A 35 7.410 10.901 2.537 1.00 0.23 C ATOM 512 C CYS A 35 6.414 10.431 3.601 1.00 0.28 C ATOM 513 O CYS A 35 5.385 9.867 3.283 1.00 0.34 O ATOM 514 CB CYS A 35 8.451 9.813 2.298 1.00 0.22 C ATOM 515 SG CYS A 35 9.653 10.088 0.971 1.00 0.22 S ATOM 0 H CYS A 35 9.073 12.049 3.239 1.00 0.26 H new ATOM 0 HA CYS A 35 6.872 11.103 1.611 1.00 0.23 H new ATOM 0 HB2 CYS A 35 9.002 9.664 3.226 1.00 0.22 H new ATOM 0 HB3 CYS A 35 7.924 8.882 2.088 1.00 0.22 H new ATOM 0 HG CYS A 35 10.464 9.074 0.903 1.00 0.22 H new ATOM 521 N LYS A 36 6.739 10.670 4.845 1.00 0.28 N ATOM 522 CA LYS A 36 5.816 10.244 5.927 1.00 0.34 C ATOM 523 C LYS A 36 4.794 11.355 6.204 1.00 0.33 C ATOM 524 O LYS A 36 3.937 11.215 7.052 1.00 0.43 O ATOM 525 CB LYS A 36 6.628 9.956 7.197 1.00 0.36 C ATOM 526 CG LYS A 36 5.777 9.140 8.187 1.00 0.56 C ATOM 527 CD LYS A 36 5.682 9.875 9.526 1.00 0.90 C ATOM 528 CE LYS A 36 7.086 10.046 10.112 1.00 1.00 C ATOM 529 NZ LYS A 36 7.466 11.487 10.142 1.00 2.29 N ATOM 0 H LYS A 36 7.593 11.136 5.152 1.00 0.28 H new ATOM 0 HA LYS A 36 5.285 9.343 5.621 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.534 9.406 6.943 1.00 0.36 H new ATOM 0 HB3 LYS A 36 6.942 10.892 7.659 1.00 0.36 H new ATOM 0 HG2 LYS A 36 4.779 8.983 7.778 1.00 0.56 H new ATOM 0 HG3 LYS A 36 6.220 8.155 8.334 1.00 0.56 H new ATOM 0 HD2 LYS A 36 5.213 10.849 9.386 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.053 9.314 10.217 1.00 0.90 H new ATOM 0 HE2 LYS A 36 7.118 9.634 11.121 1.00 1.00 H new ATOM 0 HE3 LYS A 36 7.806 9.486 9.516 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 7.971 11.695 11.027 1.00 2.29 H new ATOM 0 HZ2 LYS A 36 8.084 11.700 9.333 1.00 2.29 H new ATOM 0 HZ3 LYS A 36 6.609 12.073 10.087 1.00 2.29 H new ATOM 543 N MET A 37 4.914 12.443 5.485 1.00 0.22 N ATOM 544 CA MET A 37 3.945 13.562 5.687 1.00 0.27 C ATOM 545 C MET A 37 2.662 13.263 4.916 1.00 0.23 C ATOM 546 O MET A 37 1.645 13.895 5.118 1.00 0.21 O ATOM 547 CB MET A 37 4.557 14.866 5.181 1.00 0.36 C ATOM 548 CG MET A 37 5.240 15.587 6.345 1.00 1.52 C ATOM 549 SD MET A 37 6.172 17.090 5.962 1.00 1.99 S ATOM 550 CE MET A 37 6.494 17.598 7.668 1.00 3.18 C ATOM 0 H MET A 37 5.630 12.604 4.777 1.00 0.22 H new ATOM 0 HA MET A 37 3.717 13.661 6.748 1.00 0.27 H new ATOM 0 HB2 MET A 37 5.279 14.660 4.391 1.00 0.36 H new ATOM 0 HB3 MET A 37 3.784 15.501 4.748 1.00 0.36 H new ATOM 0 HG2 MET A 37 4.475 15.843 7.078 1.00 1.52 H new ATOM 0 HG3 MET A 37 5.919 14.883 6.825 1.00 1.52 H new ATOM 0 HE1 MET A 37 7.069 18.524 7.670 1.00 3.18 H new ATOM 0 HE2 MET A 37 5.548 17.758 8.185 1.00 3.18 H new ATOM 0 HE3 MET A 37 7.060 16.819 8.179 1.00 3.18 H new ATOM 560 N ILE A 38 2.753 12.311 4.030 1.00 0.33 N ATOM 561 CA ILE A 38 1.550 11.917 3.236 1.00 0.39 C ATOM 562 C ILE A 38 0.871 10.719 3.907 1.00 0.34 C ATOM 563 O ILE A 38 -0.143 10.235 3.452 1.00 0.20 O ATOM 564 CB ILE A 38 1.988 11.526 1.820 1.00 0.54 C ATOM 565 CG1 ILE A 38 2.775 12.689 1.175 1.00 0.87 C ATOM 566 CG2 ILE A 38 0.751 11.192 0.976 1.00 0.43 C ATOM 567 CD1 ILE A 38 1.951 13.986 1.222 1.00 0.62 C ATOM 0 H ILE A 38 3.604 11.789 3.820 1.00 0.33 H new ATOM 0 HA ILE A 38 0.851 12.752 3.187 1.00 0.39 H new ATOM 0 HB ILE A 38 2.634 10.650 1.869 1.00 0.54 H new ATOM 0 HG12 ILE A 38 3.720 12.832 1.699 1.00 0.87 H new ATOM 0 HG13 ILE A 38 3.018 12.443 0.141 1.00 0.87 H new ATOM 0 HG21 ILE A 38 1.062 10.914 -0.031 1.00 0.43 H new ATOM 0 HG22 ILE A 38 0.213 10.361 1.432 1.00 0.43 H new ATOM 0 HG23 ILE A 38 0.098 12.063 0.926 1.00 0.43 H new ATOM 0 HD11 ILE A 38 2.520 14.795 0.764 1.00 0.62 H new ATOM 0 HD12 ILE A 38 1.018 13.844 0.677 1.00 0.62 H new ATOM 0 HD13 ILE A 38 1.730 14.240 2.259 1.00 0.62 H new ATOM 579 N LYS A 39 1.461 10.267 4.975 1.00 0.49 N ATOM 580 CA LYS A 39 0.878 9.112 5.706 1.00 0.46 C ATOM 581 C LYS A 39 -0.485 9.462 6.345 1.00 0.40 C ATOM 582 O LYS A 39 -1.409 8.703 6.243 1.00 0.32 O ATOM 583 CB LYS A 39 1.846 8.660 6.791 1.00 0.54 C ATOM 584 CG LYS A 39 2.152 7.171 6.594 1.00 1.12 C ATOM 585 CD LYS A 39 3.102 6.692 7.695 1.00 1.19 C ATOM 586 CE LYS A 39 2.817 5.218 7.993 1.00 1.56 C ATOM 587 NZ LYS A 39 3.875 4.648 8.875 1.00 1.70 N ATOM 0 H LYS A 39 2.320 10.647 5.373 1.00 0.49 H new ATOM 0 HA LYS A 39 0.712 8.310 4.987 1.00 0.46 H new ATOM 0 HB2 LYS A 39 2.765 9.243 6.743 1.00 0.54 H new ATOM 0 HB3 LYS A 39 1.413 8.829 7.777 1.00 0.54 H new ATOM 0 HG2 LYS A 39 1.228 6.593 6.620 1.00 1.12 H new ATOM 0 HG3 LYS A 39 2.602 7.008 5.615 1.00 1.12 H new ATOM 0 HD2 LYS A 39 4.138 6.819 7.380 1.00 1.19 H new ATOM 0 HD3 LYS A 39 2.967 7.291 8.596 1.00 1.19 H new ATOM 0 HE2 LYS A 39 1.843 5.120 8.473 1.00 1.56 H new ATOM 0 HE3 LYS A 39 2.771 4.655 7.061 1.00 1.56 H new ATOM 0 HZ1 LYS A 39 3.927 3.619 8.734 1.00 1.70 H new ATOM 0 HZ2 LYS A 39 4.792 5.077 8.639 1.00 1.70 H new ATOM 0 HZ3 LYS A 39 3.644 4.850 9.869 1.00 1.70 H new ATOM 601 N PRO A 40 -0.590 10.613 6.992 1.00 0.44 N ATOM 602 CA PRO A 40 -1.854 10.998 7.636 1.00 0.41 C ATOM 603 C PRO A 40 -3.008 10.991 6.620 1.00 0.35 C ATOM 604 O PRO A 40 -4.145 11.237 6.971 1.00 0.34 O ATOM 605 CB PRO A 40 -1.609 12.401 8.199 1.00 0.49 C ATOM 606 CG PRO A 40 -0.089 12.700 8.032 1.00 0.57 C ATOM 607 CD PRO A 40 0.494 11.601 7.124 1.00 0.54 C ATOM 0 HA PRO A 40 -2.143 10.300 8.422 1.00 0.41 H new ATOM 0 HB2 PRO A 40 -2.208 13.140 7.667 1.00 0.49 H new ATOM 0 HB3 PRO A 40 -1.899 12.451 9.249 1.00 0.49 H new ATOM 0 HG2 PRO A 40 0.063 13.685 7.590 1.00 0.57 H new ATOM 0 HG3 PRO A 40 0.411 12.704 9.001 1.00 0.57 H new ATOM 0 HD2 PRO A 40 0.785 12.002 6.153 1.00 0.54 H new ATOM 0 HD3 PRO A 40 1.386 11.155 7.565 1.00 0.54 H new ATOM 615 N PHE A 41 -2.682 10.707 5.382 1.00 0.34 N ATOM 616 CA PHE A 41 -3.738 10.654 4.326 1.00 0.28 C ATOM 617 C PHE A 41 -4.038 9.190 3.964 1.00 0.27 C ATOM 618 O PHE A 41 -5.181 8.781 3.916 1.00 0.26 O ATOM 619 CB PHE A 41 -3.247 11.405 3.089 1.00 0.23 C ATOM 620 CG PHE A 41 -3.331 12.911 3.349 1.00 0.20 C ATOM 621 CD1 PHE A 41 -4.500 13.603 3.082 1.00 0.32 C ATOM 622 CD2 PHE A 41 -2.242 13.599 3.852 1.00 0.25 C ATOM 623 CE1 PHE A 41 -4.575 14.962 3.316 1.00 0.33 C ATOM 624 CE2 PHE A 41 -2.320 14.957 4.085 1.00 0.21 C ATOM 625 CZ PHE A 41 -3.487 15.637 3.818 1.00 0.18 C ATOM 0 H PHE A 41 -1.734 10.511 5.059 1.00 0.34 H new ATOM 0 HA PHE A 41 -4.651 11.120 4.697 1.00 0.28 H new ATOM 0 HB2 PHE A 41 -2.220 11.120 2.859 1.00 0.23 H new ATOM 0 HB3 PHE A 41 -3.853 11.139 2.223 1.00 0.23 H new ATOM 0 HD1 PHE A 41 -5.358 13.077 2.689 1.00 0.32 H new ATOM 0 HD2 PHE A 41 -1.324 13.070 4.064 1.00 0.25 H new ATOM 0 HE1 PHE A 41 -5.490 15.496 3.104 1.00 0.33 H new ATOM 0 HE2 PHE A 41 -1.465 15.487 4.477 1.00 0.21 H new ATOM 0 HZ PHE A 41 -3.548 16.699 4.003 1.00 0.18 H new ATOM 635 N PHE A 42 -3.000 8.431 3.716 1.00 0.27 N ATOM 636 CA PHE A 42 -3.202 6.987 3.370 1.00 0.26 C ATOM 637 C PHE A 42 -3.341 6.170 4.657 1.00 0.30 C ATOM 638 O PHE A 42 -3.813 5.051 4.649 1.00 0.50 O ATOM 639 CB PHE A 42 -1.987 6.486 2.582 1.00 0.27 C ATOM 640 CG PHE A 42 -2.108 4.974 2.367 1.00 0.26 C ATOM 641 CD1 PHE A 42 -2.884 4.477 1.337 1.00 0.37 C ATOM 642 CD2 PHE A 42 -1.444 4.082 3.198 1.00 0.19 C ATOM 643 CE1 PHE A 42 -2.997 3.118 1.140 1.00 0.37 C ATOM 644 CE2 PHE A 42 -1.562 2.723 2.998 1.00 0.20 C ATOM 645 CZ PHE A 42 -2.337 2.242 1.970 1.00 0.27 C ATOM 0 H PHE A 42 -2.029 8.743 3.737 1.00 0.27 H new ATOM 0 HA PHE A 42 -4.104 6.876 2.769 1.00 0.26 H new ATOM 0 HB2 PHE A 42 -1.927 6.997 1.621 1.00 0.27 H new ATOM 0 HB3 PHE A 42 -1.069 6.715 3.123 1.00 0.27 H new ATOM 0 HD1 PHE A 42 -3.406 5.159 0.682 1.00 0.37 H new ATOM 0 HD2 PHE A 42 -0.832 4.455 4.006 1.00 0.19 H new ATOM 0 HE1 PHE A 42 -3.605 2.740 0.332 1.00 0.37 H new ATOM 0 HE2 PHE A 42 -1.044 2.035 3.650 1.00 0.20 H new ATOM 0 HZ PHE A 42 -2.428 1.177 1.814 1.00 0.27 H new ATOM 655 N HIS A 43 -2.920 6.764 5.731 1.00 0.12 N ATOM 656 CA HIS A 43 -2.987 6.078 7.053 1.00 0.12 C ATOM 657 C HIS A 43 -4.365 6.296 7.692 1.00 0.21 C ATOM 658 O HIS A 43 -4.880 5.432 8.373 1.00 0.50 O ATOM 659 CB HIS A 43 -1.898 6.668 7.954 1.00 0.03 C ATOM 660 CG HIS A 43 -1.690 5.779 9.176 1.00 0.11 C ATOM 661 ND1 HIS A 43 -2.518 4.945 9.608 1.00 0.15 N ATOM 662 CD2 HIS A 43 -0.605 5.697 10.032 1.00 0.16 C ATOM 663 CE1 HIS A 43 -2.077 4.345 10.638 1.00 0.22 C ATOM 664 NE2 HIS A 43 -0.858 4.762 10.983 1.00 0.23 N ATOM 0 H HIS A 43 -2.527 7.705 5.755 1.00 0.12 H new ATOM 0 HA HIS A 43 -2.833 5.007 6.925 1.00 0.12 H new ATOM 0 HB2 HIS A 43 -0.965 6.759 7.398 1.00 0.03 H new ATOM 0 HB3 HIS A 43 -2.181 7.672 8.269 1.00 0.03 H new ATOM 0 HD1 HIS A 43 -3.430 4.769 9.187 1.00 0.15 H new ATOM 0 HD2 HIS A 43 0.299 6.283 9.955 1.00 0.16 H new ATOM 0 HE1 HIS A 43 -2.627 3.584 11.173 1.00 0.22 H new ATOM 672 N SER A 44 -4.929 7.450 7.454 1.00 0.20 N ATOM 673 CA SER A 44 -6.268 7.751 8.041 1.00 0.21 C ATOM 674 C SER A 44 -7.340 6.847 7.425 1.00 0.25 C ATOM 675 O SER A 44 -8.451 6.779 7.910 1.00 0.25 O ATOM 676 CB SER A 44 -6.616 9.213 7.767 1.00 0.21 C ATOM 677 OG SER A 44 -6.337 9.383 6.385 1.00 1.31 O ATOM 0 H SER A 44 -4.525 8.192 6.883 1.00 0.20 H new ATOM 0 HA SER A 44 -6.234 7.569 9.115 1.00 0.21 H new ATOM 0 HB2 SER A 44 -7.662 9.422 7.991 1.00 0.21 H new ATOM 0 HB3 SER A 44 -6.018 9.887 8.380 1.00 0.21 H new ATOM 0 HG SER A 44 -5.567 9.980 6.278 1.00 1.31 H new ATOM 683 N LEU A 45 -6.984 6.173 6.371 1.00 0.31 N ATOM 684 CA LEU A 45 -7.973 5.267 5.714 1.00 0.38 C ATOM 685 C LEU A 45 -8.237 4.048 6.602 1.00 0.31 C ATOM 686 O LEU A 45 -9.126 3.264 6.338 1.00 0.33 O ATOM 687 CB LEU A 45 -7.417 4.804 4.366 1.00 0.52 C ATOM 688 CG LEU A 45 -6.950 6.021 3.562 1.00 0.61 C ATOM 689 CD1 LEU A 45 -6.451 5.556 2.194 1.00 0.69 C ATOM 690 CD2 LEU A 45 -8.126 6.981 3.367 1.00 0.55 C ATOM 0 H LEU A 45 -6.062 6.206 5.936 1.00 0.31 H new ATOM 0 HA LEU A 45 -8.908 5.806 5.562 1.00 0.38 H new ATOM 0 HB2 LEU A 45 -6.586 4.116 4.520 1.00 0.52 H new ATOM 0 HB3 LEU A 45 -8.182 4.260 3.812 1.00 0.52 H new ATOM 0 HG LEU A 45 -6.147 6.528 4.097 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -6.117 6.418 1.616 1.00 0.69 H new ATOM 0 HD12 LEU A 45 -5.620 4.863 2.326 1.00 0.69 H new ATOM 0 HD13 LEU A 45 -7.260 5.055 1.663 1.00 0.69 H new ATOM 0 HD21 LEU A 45 -7.797 7.848 2.795 1.00 0.55 H new ATOM 0 HD22 LEU A 45 -8.925 6.473 2.827 1.00 0.55 H new ATOM 0 HD23 LEU A 45 -8.495 7.307 4.340 1.00 0.55 H new ATOM 702 N SER A 46 -7.455 3.919 7.638 1.00 0.25 N ATOM 703 CA SER A 46 -7.642 2.759 8.558 1.00 0.24 C ATOM 704 C SER A 46 -9.068 2.751 9.121 1.00 0.11 C ATOM 705 O SER A 46 -9.696 1.714 9.210 1.00 0.15 O ATOM 706 CB SER A 46 -6.642 2.868 9.707 1.00 0.31 C ATOM 707 OG SER A 46 -7.354 2.380 10.834 1.00 1.09 O ATOM 0 H SER A 46 -6.701 4.559 7.887 1.00 0.25 H new ATOM 0 HA SER A 46 -7.477 1.834 8.006 1.00 0.24 H new ATOM 0 HB2 SER A 46 -5.747 2.276 9.514 1.00 0.31 H new ATOM 0 HB3 SER A 46 -6.317 3.898 9.856 1.00 0.31 H new ATOM 0 HG SER A 46 -6.777 2.414 11.625 1.00 1.09 H new ATOM 713 N GLU A 47 -9.547 3.908 9.487 1.00 0.18 N ATOM 714 CA GLU A 47 -10.926 3.985 10.050 1.00 0.06 C ATOM 715 C GLU A 47 -11.930 4.354 8.953 1.00 0.15 C ATOM 716 O GLU A 47 -13.014 3.807 8.890 1.00 0.25 O ATOM 717 CB GLU A 47 -10.960 5.047 11.148 1.00 0.18 C ATOM 718 CG GLU A 47 -10.017 4.629 12.279 1.00 0.20 C ATOM 719 CD GLU A 47 -10.808 4.525 13.585 1.00 0.85 C ATOM 720 OE1 GLU A 47 -11.358 3.458 13.801 1.00 1.87 O ATOM 721 OE2 GLU A 47 -10.815 5.519 14.294 1.00 0.98 O ATOM 0 H GLU A 47 -9.049 4.796 9.422 1.00 0.18 H new ATOM 0 HA GLU A 47 -11.198 3.013 10.462 1.00 0.06 H new ATOM 0 HB2 GLU A 47 -10.659 6.014 10.745 1.00 0.18 H new ATOM 0 HB3 GLU A 47 -11.975 5.162 11.528 1.00 0.18 H new ATOM 0 HG2 GLU A 47 -9.552 3.671 12.045 1.00 0.20 H new ATOM 0 HG3 GLU A 47 -9.212 5.357 12.385 1.00 0.20 H new ATOM 728 N LYS A 48 -11.551 5.276 8.110 1.00 0.30 N ATOM 729 CA LYS A 48 -12.474 5.693 7.015 1.00 0.47 C ATOM 730 C LYS A 48 -13.005 4.461 6.275 1.00 0.41 C ATOM 731 O LYS A 48 -14.185 4.173 6.310 1.00 0.53 O ATOM 732 CB LYS A 48 -11.714 6.589 6.037 1.00 0.62 C ATOM 733 CG LYS A 48 -12.594 7.781 5.639 1.00 0.96 C ATOM 734 CD LYS A 48 -12.476 8.876 6.703 1.00 1.66 C ATOM 735 CE LYS A 48 -13.414 10.029 6.341 1.00 1.89 C ATOM 736 NZ LYS A 48 -12.721 11.338 6.513 1.00 3.12 N ATOM 0 H LYS A 48 -10.651 5.755 8.131 1.00 0.30 H new ATOM 0 HA LYS A 48 -13.317 6.238 7.441 1.00 0.47 H new ATOM 0 HB2 LYS A 48 -10.791 6.943 6.495 1.00 0.62 H new ATOM 0 HB3 LYS A 48 -11.432 6.020 5.151 1.00 0.62 H new ATOM 0 HG2 LYS A 48 -12.285 8.167 4.668 1.00 0.96 H new ATOM 0 HG3 LYS A 48 -13.632 7.464 5.541 1.00 0.96 H new ATOM 0 HD2 LYS A 48 -12.733 8.476 7.684 1.00 1.66 H new ATOM 0 HD3 LYS A 48 -11.448 9.233 6.763 1.00 1.66 H new ATOM 0 HE2 LYS A 48 -13.751 9.922 5.310 1.00 1.89 H new ATOM 0 HE3 LYS A 48 -14.302 9.995 6.972 1.00 1.89 H new ATOM 0 HZ1 LYS A 48 -13.371 12.110 6.263 1.00 3.12 H new ATOM 0 HZ2 LYS A 48 -12.421 11.444 7.503 1.00 3.12 H new ATOM 0 HZ3 LYS A 48 -11.887 11.373 5.893 1.00 3.12 H new ATOM 750 N TYR A 49 -12.121 3.762 5.620 1.00 0.30 N ATOM 751 CA TYR A 49 -12.554 2.547 4.873 1.00 0.24 C ATOM 752 C TYR A 49 -12.399 1.303 5.754 1.00 0.20 C ATOM 753 O TYR A 49 -11.303 0.820 5.964 1.00 0.28 O ATOM 754 CB TYR A 49 -11.685 2.401 3.624 1.00 0.20 C ATOM 755 CG TYR A 49 -12.234 3.302 2.515 1.00 0.28 C ATOM 756 CD1 TYR A 49 -13.230 2.851 1.674 1.00 0.34 C ATOM 757 CD2 TYR A 49 -11.739 4.580 2.340 1.00 0.31 C ATOM 758 CE1 TYR A 49 -13.725 3.663 0.674 1.00 0.42 C ATOM 759 CE2 TYR A 49 -12.233 5.392 1.339 1.00 0.39 C ATOM 760 CZ TYR A 49 -13.230 4.939 0.499 1.00 0.44 C ATOM 761 OH TYR A 49 -13.727 5.752 -0.501 1.00 0.52 O ATOM 0 H TYR A 49 -11.125 3.976 5.569 1.00 0.30 H new ATOM 0 HA TYR A 49 -13.602 2.648 4.590 1.00 0.24 H new ATOM 0 HB2 TYR A 49 -10.654 2.672 3.851 1.00 0.20 H new ATOM 0 HB3 TYR A 49 -11.676 1.362 3.293 1.00 0.20 H new ATOM 0 HD1 TYR A 49 -13.626 1.854 1.799 1.00 0.34 H new ATOM 0 HD2 TYR A 49 -10.959 4.947 2.991 1.00 0.31 H new ATOM 0 HE1 TYR A 49 -14.506 3.297 0.024 1.00 0.42 H new ATOM 0 HE2 TYR A 49 -11.837 6.389 1.212 1.00 0.39 H new ATOM 0 HH TYR A 49 -13.265 6.616 -0.480 1.00 0.52 H new ATOM 771 N SER A 50 -13.499 0.811 6.253 1.00 0.25 N ATOM 772 CA SER A 50 -13.432 -0.399 7.126 1.00 0.34 C ATOM 773 C SER A 50 -13.603 -1.669 6.289 1.00 0.31 C ATOM 774 O SER A 50 -13.415 -2.766 6.777 1.00 0.37 O ATOM 775 CB SER A 50 -14.543 -0.324 8.171 1.00 0.50 C ATOM 776 OG SER A 50 -15.735 -0.529 7.426 1.00 0.49 O ATOM 0 H SER A 50 -14.434 1.188 6.097 1.00 0.25 H new ATOM 0 HA SER A 50 -12.460 -0.431 7.618 1.00 0.34 H new ATOM 0 HB2 SER A 50 -14.418 -1.086 8.941 1.00 0.50 H new ATOM 0 HB3 SER A 50 -14.550 0.642 8.676 1.00 0.50 H new ATOM 0 HG SER A 50 -16.507 -0.498 8.029 1.00 0.49 H new ATOM 782 N ASN A 51 -13.953 -1.491 5.043 1.00 0.27 N ATOM 783 CA ASN A 51 -14.145 -2.675 4.152 1.00 0.27 C ATOM 784 C ASN A 51 -12.938 -2.849 3.225 1.00 0.31 C ATOM 785 O ASN A 51 -13.049 -3.421 2.159 1.00 0.68 O ATOM 786 CB ASN A 51 -15.402 -2.467 3.310 1.00 0.26 C ATOM 787 CG ASN A 51 -15.821 -3.802 2.690 1.00 0.22 C ATOM 788 OD1 ASN A 51 -15.980 -4.794 3.374 1.00 0.80 O ATOM 789 ND2 ASN A 51 -16.008 -3.872 1.400 1.00 1.25 N ATOM 0 H ASN A 51 -14.114 -0.584 4.605 1.00 0.27 H new ATOM 0 HA ASN A 51 -14.247 -3.569 4.767 1.00 0.27 H new ATOM 0 HB2 ASN A 51 -16.207 -2.072 3.929 1.00 0.26 H new ATOM 0 HB3 ASN A 51 -15.212 -1.733 2.527 1.00 0.26 H new ATOM 0 HD21 ASN A 51 -16.286 -4.755 0.972 1.00 1.25 H new ATOM 0 HD22 ASN A 51 -15.876 -3.043 0.820 1.00 1.25 H new ATOM 796 N VAL A 52 -11.808 -2.347 3.648 1.00 0.14 N ATOM 797 CA VAL A 52 -10.587 -2.477 2.798 1.00 0.17 C ATOM 798 C VAL A 52 -9.345 -2.662 3.674 1.00 0.17 C ATOM 799 O VAL A 52 -9.311 -2.216 4.804 1.00 0.18 O ATOM 800 CB VAL A 52 -10.422 -1.210 1.960 1.00 0.20 C ATOM 801 CG1 VAL A 52 -9.203 -1.373 1.049 1.00 0.36 C ATOM 802 CG2 VAL A 52 -11.673 -1.001 1.105 1.00 0.15 C ATOM 0 H VAL A 52 -11.677 -1.858 4.534 1.00 0.14 H new ATOM 0 HA VAL A 52 -10.698 -3.346 2.150 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.283 -0.349 2.613 1.00 0.20 H new ATOM 0 HG11 VAL A 52 -9.076 -0.474 0.446 1.00 0.36 H new ATOM 0 HG12 VAL A 52 -8.312 -1.530 1.658 1.00 0.36 H new ATOM 0 HG13 VAL A 52 -9.351 -2.231 0.393 1.00 0.36 H new ATOM 0 HG21 VAL A 52 -11.558 -0.098 0.506 1.00 0.15 H new ATOM 0 HG22 VAL A 52 -11.811 -1.858 0.446 1.00 0.15 H new ATOM 0 HG23 VAL A 52 -12.543 -0.898 1.753 1.00 0.15 H new ATOM 812 N ILE A 53 -8.350 -3.321 3.129 1.00 0.19 N ATOM 813 CA ILE A 53 -7.093 -3.539 3.906 1.00 0.19 C ATOM 814 C ILE A 53 -5.984 -2.651 3.345 1.00 0.16 C ATOM 815 O ILE A 53 -5.810 -2.552 2.143 1.00 0.21 O ATOM 816 CB ILE A 53 -6.688 -5.010 3.807 1.00 0.19 C ATOM 817 CG1 ILE A 53 -7.908 -5.879 4.131 1.00 0.16 C ATOM 818 CG2 ILE A 53 -5.573 -5.294 4.818 1.00 0.42 C ATOM 819 CD1 ILE A 53 -7.473 -7.339 4.261 1.00 1.23 C ATOM 0 H ILE A 53 -8.355 -3.714 2.188 1.00 0.19 H new ATOM 0 HA ILE A 53 -7.257 -3.281 4.952 1.00 0.19 H new ATOM 0 HB ILE A 53 -6.331 -5.235 2.802 1.00 0.19 H new ATOM 0 HG12 ILE A 53 -8.372 -5.543 5.058 1.00 0.16 H new ATOM 0 HG13 ILE A 53 -8.657 -5.780 3.346 1.00 0.16 H new ATOM 0 HG21 ILE A 53 -5.280 -6.342 4.752 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -4.713 -4.662 4.598 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.932 -5.080 5.825 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -8.340 -7.958 4.491 1.00 1.23 H new ATOM 0 HD12 ILE A 53 -7.029 -7.671 3.323 1.00 1.23 H new ATOM 0 HD13 ILE A 53 -6.739 -7.430 5.062 1.00 1.23 H new ATOM 831 N PHE A 54 -5.256 -2.026 4.233 1.00 0.19 N ATOM 832 CA PHE A 54 -4.163 -1.109 3.792 1.00 0.17 C ATOM 833 C PHE A 54 -2.812 -1.568 4.347 1.00 0.17 C ATOM 834 O PHE A 54 -2.664 -1.772 5.533 1.00 0.36 O ATOM 835 CB PHE A 54 -4.478 0.289 4.313 1.00 0.19 C ATOM 836 CG PHE A 54 -5.807 0.756 3.721 1.00 0.17 C ATOM 837 CD1 PHE A 54 -5.846 1.410 2.505 1.00 0.15 C ATOM 838 CD2 PHE A 54 -6.991 0.527 4.399 1.00 0.17 C ATOM 839 CE1 PHE A 54 -7.048 1.830 1.974 1.00 0.13 C ATOM 840 CE2 PHE A 54 -8.193 0.945 3.867 1.00 0.15 C ATOM 841 CZ PHE A 54 -8.221 1.597 2.656 1.00 0.13 C ATOM 0 H PHE A 54 -5.371 -2.110 5.243 1.00 0.19 H new ATOM 0 HA PHE A 54 -4.102 -1.112 2.704 1.00 0.17 H new ATOM 0 HB2 PHE A 54 -4.534 0.281 5.402 1.00 0.19 H new ATOM 0 HB3 PHE A 54 -3.681 0.981 4.040 1.00 0.19 H new ATOM 0 HD1 PHE A 54 -4.928 1.594 1.966 1.00 0.15 H new ATOM 0 HD2 PHE A 54 -6.974 0.018 5.351 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -7.069 2.342 1.023 1.00 0.13 H new ATOM 0 HE2 PHE A 54 -9.113 0.760 4.402 1.00 0.15 H new ATOM 0 HZ PHE A 54 -9.162 1.926 2.241 1.00 0.13 H new ATOM 851 N LEU A 55 -1.857 -1.733 3.466 1.00 0.10 N ATOM 852 CA LEU A 55 -0.498 -2.161 3.917 1.00 0.13 C ATOM 853 C LEU A 55 0.467 -0.978 3.817 1.00 0.05 C ATOM 854 O LEU A 55 0.140 0.054 3.264 1.00 0.18 O ATOM 855 CB LEU A 55 0.021 -3.288 3.022 1.00 0.21 C ATOM 856 CG LEU A 55 -0.778 -4.581 3.254 1.00 0.36 C ATOM 857 CD1 LEU A 55 -2.241 -4.377 2.858 1.00 0.71 C ATOM 858 CD2 LEU A 55 -0.191 -5.691 2.378 1.00 0.39 C ATOM 0 H LEU A 55 -1.958 -1.591 2.461 1.00 0.10 H new ATOM 0 HA LEU A 55 -0.564 -2.510 4.947 1.00 0.13 H new ATOM 0 HB2 LEU A 55 -0.054 -2.992 1.976 1.00 0.21 H new ATOM 0 HB3 LEU A 55 1.077 -3.465 3.228 1.00 0.21 H new ATOM 0 HG LEU A 55 -0.720 -4.849 4.309 1.00 0.36 H new ATOM 0 HD11 LEU A 55 -2.796 -5.300 3.027 1.00 0.71 H new ATOM 0 HD12 LEU A 55 -2.673 -3.578 3.461 1.00 0.71 H new ATOM 0 HD13 LEU A 55 -2.298 -4.107 1.803 1.00 0.71 H new ATOM 0 HD21 LEU A 55 -0.751 -6.613 2.535 1.00 0.39 H new ATOM 0 HD22 LEU A 55 -0.257 -5.400 1.330 1.00 0.39 H new ATOM 0 HD23 LEU A 55 0.854 -5.851 2.645 1.00 0.39 H new ATOM 870 N GLU A 56 1.641 -1.166 4.330 1.00 0.24 N ATOM 871 CA GLU A 56 2.656 -0.070 4.287 1.00 0.18 C ATOM 872 C GLU A 56 4.057 -0.683 4.199 1.00 0.18 C ATOM 873 O GLU A 56 4.511 -1.317 5.131 1.00 0.25 O ATOM 874 CB GLU A 56 2.543 0.768 5.563 1.00 0.21 C ATOM 875 CG GLU A 56 3.311 2.079 5.375 1.00 0.17 C ATOM 876 CD GLU A 56 4.179 2.336 6.609 1.00 0.93 C ATOM 877 OE1 GLU A 56 3.655 2.134 7.692 1.00 1.52 O ATOM 878 OE2 GLU A 56 5.318 2.722 6.399 1.00 1.88 O ATOM 0 H GLU A 56 1.950 -2.028 4.779 1.00 0.24 H new ATOM 0 HA GLU A 56 2.481 0.563 3.417 1.00 0.18 H new ATOM 0 HB2 GLU A 56 1.496 0.975 5.785 1.00 0.21 H new ATOM 0 HB3 GLU A 56 2.946 0.215 6.412 1.00 0.21 H new ATOM 0 HG2 GLU A 56 3.934 2.024 4.482 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.614 2.904 5.227 1.00 0.17 H new ATOM 885 N VAL A 57 4.712 -0.482 3.083 1.00 0.14 N ATOM 886 CA VAL A 57 6.080 -1.071 2.913 1.00 0.16 C ATOM 887 C VAL A 57 7.160 0.012 2.983 1.00 0.21 C ATOM 888 O VAL A 57 6.981 1.108 2.489 1.00 0.15 O ATOM 889 CB VAL A 57 6.155 -1.769 1.558 1.00 0.13 C ATOM 890 CG1 VAL A 57 7.588 -2.250 1.324 1.00 0.18 C ATOM 891 CG2 VAL A 57 5.213 -2.974 1.558 1.00 0.13 C ATOM 0 H VAL A 57 4.366 0.058 2.290 1.00 0.14 H new ATOM 0 HA VAL A 57 6.255 -1.783 3.720 1.00 0.16 H new ATOM 0 HB VAL A 57 5.863 -1.076 0.769 1.00 0.13 H new ATOM 0 HG11 VAL A 57 7.651 -2.750 0.358 1.00 0.18 H new ATOM 0 HG12 VAL A 57 8.265 -1.396 1.335 1.00 0.18 H new ATOM 0 HG13 VAL A 57 7.871 -2.947 2.112 1.00 0.18 H new ATOM 0 HG21 VAL A 57 5.264 -3.475 0.592 1.00 0.13 H new ATOM 0 HG22 VAL A 57 5.511 -3.669 2.343 1.00 0.13 H new ATOM 0 HG23 VAL A 57 4.192 -2.638 1.739 1.00 0.13 H new ATOM 901 N ASP A 58 8.262 -0.328 3.600 1.00 0.33 N ATOM 902 CA ASP A 58 9.386 0.647 3.716 1.00 0.39 C ATOM 903 C ASP A 58 10.494 0.284 2.718 1.00 0.40 C ATOM 904 O ASP A 58 11.041 -0.799 2.767 1.00 0.46 O ATOM 905 CB ASP A 58 9.944 0.592 5.135 1.00 0.43 C ATOM 906 CG ASP A 58 10.855 1.799 5.372 1.00 0.44 C ATOM 907 OD1 ASP A 58 10.988 2.569 4.435 1.00 1.42 O ATOM 908 OD2 ASP A 58 11.367 1.881 6.476 1.00 0.61 O ATOM 0 H ASP A 58 8.432 -1.238 4.028 1.00 0.33 H new ATOM 0 HA ASP A 58 9.023 1.651 3.497 1.00 0.39 H new ATOM 0 HB2 ASP A 58 9.128 0.591 5.858 1.00 0.43 H new ATOM 0 HB3 ASP A 58 10.502 -0.333 5.282 1.00 0.43 H new ATOM 913 N VAL A 59 10.799 1.196 1.836 1.00 0.38 N ATOM 914 CA VAL A 59 11.865 0.911 0.828 1.00 0.39 C ATOM 915 C VAL A 59 13.252 1.002 1.472 1.00 0.40 C ATOM 916 O VAL A 59 14.229 1.270 0.802 1.00 0.43 O ATOM 917 CB VAL A 59 11.765 1.928 -0.306 1.00 0.38 C ATOM 918 CG1 VAL A 59 10.524 1.623 -1.147 1.00 0.51 C ATOM 919 CG2 VAL A 59 11.644 3.333 0.287 1.00 0.30 C ATOM 0 H VAL A 59 10.364 2.116 1.768 1.00 0.38 H new ATOM 0 HA VAL A 59 11.726 -0.098 0.440 1.00 0.39 H new ATOM 0 HB VAL A 59 12.655 1.871 -0.933 1.00 0.38 H new ATOM 0 HG11 VAL A 59 10.448 2.347 -1.959 1.00 0.51 H new ATOM 0 HG12 VAL A 59 10.604 0.619 -1.563 1.00 0.51 H new ATOM 0 HG13 VAL A 59 9.635 1.686 -0.520 1.00 0.51 H new ATOM 0 HG21 VAL A 59 11.572 4.063 -0.519 1.00 0.30 H new ATOM 0 HG22 VAL A 59 10.750 3.390 0.909 1.00 0.30 H new ATOM 0 HG23 VAL A 59 12.523 3.548 0.895 1.00 0.30 H new ATOM 929 N ASP A 60 13.304 0.778 2.762 1.00 0.40 N ATOM 930 CA ASP A 60 14.618 0.842 3.478 1.00 0.42 C ATOM 931 C ASP A 60 14.838 -0.440 4.284 1.00 0.14 C ATOM 932 O ASP A 60 15.930 -0.972 4.324 1.00 0.18 O ATOM 933 CB ASP A 60 14.615 2.044 4.422 1.00 0.62 C ATOM 934 CG ASP A 60 15.882 2.017 5.280 1.00 0.44 C ATOM 935 OD1 ASP A 60 16.941 2.119 4.684 1.00 1.45 O ATOM 936 OD2 ASP A 60 15.718 1.895 6.482 1.00 1.29 O ATOM 0 H ASP A 60 12.499 0.555 3.348 1.00 0.40 H new ATOM 0 HA ASP A 60 15.422 0.945 2.749 1.00 0.42 H new ATOM 0 HB2 ASP A 60 14.569 2.970 3.849 1.00 0.62 H new ATOM 0 HB3 ASP A 60 13.730 2.019 5.058 1.00 0.62 H new ATOM 941 N ASP A 61 13.791 -0.908 4.909 1.00 0.23 N ATOM 942 CA ASP A 61 13.911 -2.157 5.719 1.00 0.33 C ATOM 943 C ASP A 61 13.386 -3.354 4.916 1.00 0.19 C ATOM 944 O ASP A 61 13.546 -4.491 5.315 1.00 0.39 O ATOM 945 CB ASP A 61 13.095 -1.995 7.002 1.00 0.66 C ATOM 946 CG ASP A 61 12.309 -3.279 7.271 1.00 1.59 C ATOM 947 OD1 ASP A 61 12.934 -4.203 7.765 1.00 1.18 O ATOM 948 OD2 ASP A 61 11.127 -3.263 6.970 1.00 2.77 O ATOM 0 H ASP A 61 12.864 -0.484 4.895 1.00 0.23 H new ATOM 0 HA ASP A 61 14.957 -2.334 5.967 1.00 0.33 H new ATOM 0 HB2 ASP A 61 13.756 -1.778 7.841 1.00 0.66 H new ATOM 0 HB3 ASP A 61 12.412 -1.151 6.907 1.00 0.66 H new ATOM 953 N CYS A 62 12.773 -3.063 3.798 1.00 0.21 N ATOM 954 CA CYS A 62 12.222 -4.160 2.944 1.00 0.28 C ATOM 955 C CYS A 62 12.569 -3.904 1.473 1.00 0.29 C ATOM 956 O CYS A 62 11.729 -4.024 0.604 1.00 0.29 O ATOM 957 CB CYS A 62 10.705 -4.205 3.111 1.00 0.35 C ATOM 958 SG CYS A 62 10.057 -4.871 4.664 1.00 1.33 S ATOM 0 H CYS A 62 12.630 -2.119 3.440 1.00 0.21 H new ATOM 0 HA CYS A 62 12.658 -5.112 3.249 1.00 0.28 H new ATOM 0 HB2 CYS A 62 10.323 -3.191 2.994 1.00 0.35 H new ATOM 0 HB3 CYS A 62 10.294 -4.797 2.293 1.00 0.35 H new ATOM 0 HG CYS A 62 10.537 -4.190 5.662 1.00 1.33 H new ATOM 964 N GLN A 63 13.803 -3.556 1.229 1.00 0.30 N ATOM 965 CA GLN A 63 14.225 -3.285 -0.171 1.00 0.31 C ATOM 966 C GLN A 63 13.932 -4.498 -1.057 1.00 0.29 C ATOM 967 O GLN A 63 14.012 -4.420 -2.267 1.00 0.36 O ATOM 968 CB GLN A 63 15.721 -2.984 -0.194 1.00 0.33 C ATOM 969 CG GLN A 63 15.943 -1.519 0.186 1.00 0.90 C ATOM 970 CD GLN A 63 17.439 -1.266 0.371 1.00 1.01 C ATOM 971 OE1 GLN A 63 18.223 -1.411 -0.547 1.00 1.49 O ATOM 972 NE2 GLN A 63 17.878 -0.886 1.539 1.00 1.51 N ATOM 0 H GLN A 63 14.532 -3.449 1.935 1.00 0.30 H new ATOM 0 HA GLN A 63 13.669 -2.429 -0.553 1.00 0.31 H new ATOM 0 HB2 GLN A 63 16.247 -3.637 0.503 1.00 0.33 H new ATOM 0 HB3 GLN A 63 16.129 -3.181 -1.185 1.00 0.33 H new ATOM 0 HG2 GLN A 63 15.545 -0.866 -0.591 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.406 -1.285 1.105 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.226 -0.762 2.313 1.00 1.51 H new ATOM 0 HE22 GLN A 63 18.873 -0.712 1.678 1.00 1.51 H new ATOM 981 N ASP A 64 13.598 -5.593 -0.435 1.00 0.27 N ATOM 982 CA ASP A 64 13.296 -6.815 -1.222 1.00 0.33 C ATOM 983 C ASP A 64 11.903 -6.708 -1.824 1.00 0.31 C ATOM 984 O ASP A 64 11.737 -6.680 -3.027 1.00 0.63 O ATOM 985 CB ASP A 64 13.370 -8.040 -0.310 1.00 0.38 C ATOM 986 CG ASP A 64 12.588 -7.767 0.977 1.00 0.35 C ATOM 987 OD1 ASP A 64 13.024 -6.888 1.702 1.00 0.78 O ATOM 988 OD2 ASP A 64 11.599 -8.456 1.165 1.00 1.00 O ATOM 0 H ASP A 64 13.522 -5.693 0.577 1.00 0.27 H new ATOM 0 HA ASP A 64 14.026 -6.916 -2.025 1.00 0.33 H new ATOM 0 HB2 ASP A 64 12.959 -8.911 -0.820 1.00 0.38 H new ATOM 0 HB3 ASP A 64 14.409 -8.269 -0.075 1.00 0.38 H new ATOM 993 N VAL A 65 10.934 -6.651 -0.970 1.00 0.24 N ATOM 994 CA VAL A 65 9.537 -6.534 -1.451 1.00 0.17 C ATOM 995 C VAL A 65 9.427 -5.376 -2.430 1.00 0.13 C ATOM 996 O VAL A 65 8.643 -5.405 -3.356 1.00 0.28 O ATOM 997 CB VAL A 65 8.636 -6.282 -0.267 1.00 0.16 C ATOM 998 CG1 VAL A 65 7.180 -6.502 -0.681 1.00 0.14 C ATOM 999 CG2 VAL A 65 9.002 -7.255 0.853 1.00 0.23 C ATOM 0 H VAL A 65 11.046 -6.680 0.043 1.00 0.24 H new ATOM 0 HA VAL A 65 9.241 -7.454 -1.955 1.00 0.17 H new ATOM 0 HB VAL A 65 8.761 -5.257 0.082 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.527 -6.320 0.173 1.00 0.14 H new ATOM 0 HG12 VAL A 65 6.923 -5.814 -1.487 1.00 0.14 H new ATOM 0 HG13 VAL A 65 7.051 -7.528 -1.025 1.00 0.14 H new ATOM 0 HG21 VAL A 65 8.356 -7.080 1.713 1.00 0.23 H new ATOM 0 HG22 VAL A 65 8.871 -8.279 0.503 1.00 0.23 H new ATOM 0 HG23 VAL A 65 10.041 -7.101 1.143 1.00 0.23 H new ATOM 1009 N ALA A 66 10.214 -4.376 -2.195 1.00 0.19 N ATOM 1010 CA ALA A 66 10.196 -3.205 -3.097 1.00 0.15 C ATOM 1011 C ALA A 66 10.829 -3.587 -4.431 1.00 0.11 C ATOM 1012 O ALA A 66 10.309 -3.289 -5.486 1.00 0.05 O ATOM 1013 CB ALA A 66 10.986 -2.065 -2.457 1.00 0.22 C ATOM 0 H ALA A 66 10.870 -4.318 -1.416 1.00 0.19 H new ATOM 0 HA ALA A 66 9.168 -2.883 -3.265 1.00 0.15 H new ATOM 0 HB1 ALA A 66 10.976 -1.199 -3.119 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.532 -1.798 -1.503 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.015 -2.383 -2.292 1.00 0.22 H new ATOM 1019 N SER A 67 11.938 -4.251 -4.346 1.00 0.15 N ATOM 1020 CA SER A 67 12.635 -4.679 -5.586 1.00 0.13 C ATOM 1021 C SER A 67 11.788 -5.714 -6.325 1.00 0.12 C ATOM 1022 O SER A 67 12.067 -6.061 -7.456 1.00 0.13 O ATOM 1023 CB SER A 67 13.987 -5.290 -5.219 1.00 0.17 C ATOM 1024 OG SER A 67 14.773 -4.178 -4.816 1.00 1.14 O ATOM 0 H SER A 67 12.395 -4.518 -3.474 1.00 0.15 H new ATOM 0 HA SER A 67 12.787 -3.815 -6.233 1.00 0.13 H new ATOM 0 HB2 SER A 67 13.889 -6.021 -4.416 1.00 0.17 H new ATOM 0 HB3 SER A 67 14.434 -5.807 -6.068 1.00 0.17 H new ATOM 0 HG SER A 67 14.668 -4.035 -3.852 1.00 1.14 H new ATOM 1030 N GLU A 68 10.767 -6.183 -5.665 1.00 0.13 N ATOM 1031 CA GLU A 68 9.884 -7.183 -6.296 1.00 0.14 C ATOM 1032 C GLU A 68 8.839 -6.466 -7.145 1.00 0.12 C ATOM 1033 O GLU A 68 8.349 -6.997 -8.122 1.00 0.24 O ATOM 1034 CB GLU A 68 9.205 -8.001 -5.196 1.00 0.18 C ATOM 1035 CG GLU A 68 8.405 -9.138 -5.824 1.00 0.39 C ATOM 1036 CD GLU A 68 9.361 -10.137 -6.481 1.00 1.44 C ATOM 1037 OE1 GLU A 68 10.249 -10.581 -5.774 1.00 2.25 O ATOM 1038 OE2 GLU A 68 9.148 -10.398 -7.654 1.00 2.10 O ATOM 0 H GLU A 68 10.511 -5.913 -4.715 1.00 0.13 H new ATOM 0 HA GLU A 68 10.461 -7.849 -6.937 1.00 0.14 H new ATOM 0 HB2 GLU A 68 9.954 -8.403 -4.513 1.00 0.18 H new ATOM 0 HB3 GLU A 68 8.547 -7.362 -4.607 1.00 0.18 H new ATOM 0 HG2 GLU A 68 7.807 -9.639 -5.063 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.711 -8.742 -6.565 1.00 0.39 H new ATOM 1045 N CYS A 69 8.526 -5.272 -6.745 1.00 0.05 N ATOM 1046 CA CYS A 69 7.530 -4.474 -7.513 1.00 0.16 C ATOM 1047 C CYS A 69 8.261 -3.618 -8.548 1.00 0.16 C ATOM 1048 O CYS A 69 7.652 -2.883 -9.300 1.00 0.25 O ATOM 1049 CB CYS A 69 6.759 -3.570 -6.553 1.00 0.22 C ATOM 1050 SG CYS A 69 5.416 -4.321 -5.599 1.00 0.23 S ATOM 0 H CYS A 69 8.913 -4.811 -5.922 1.00 0.05 H new ATOM 0 HA CYS A 69 6.834 -5.142 -8.020 1.00 0.16 H new ATOM 0 HB2 CYS A 69 7.472 -3.140 -5.850 1.00 0.22 H new ATOM 0 HB3 CYS A 69 6.342 -2.744 -7.130 1.00 0.22 H new ATOM 0 HG CYS A 69 5.249 -3.661 -4.491 1.00 0.23 H new ATOM 1056 N GLU A 70 9.562 -3.735 -8.556 1.00 0.12 N ATOM 1057 CA GLU A 70 10.373 -2.947 -9.527 1.00 0.18 C ATOM 1058 C GLU A 70 10.052 -1.458 -9.408 1.00 0.15 C ATOM 1059 O GLU A 70 9.854 -0.782 -10.401 1.00 0.20 O ATOM 1060 CB GLU A 70 10.065 -3.428 -10.944 1.00 0.28 C ATOM 1061 CG GLU A 70 10.350 -4.928 -11.040 1.00 1.25 C ATOM 1062 CD GLU A 70 11.439 -5.171 -12.086 1.00 1.10 C ATOM 1063 OE1 GLU A 70 12.593 -5.090 -11.695 1.00 1.76 O ATOM 1064 OE2 GLU A 70 11.057 -5.425 -13.216 1.00 1.43 O ATOM 0 H GLU A 70 10.097 -4.341 -7.933 1.00 0.12 H new ATOM 0 HA GLU A 70 11.431 -3.092 -9.308 1.00 0.18 H new ATOM 0 HB2 GLU A 70 9.022 -3.227 -11.190 1.00 0.28 H new ATOM 0 HB3 GLU A 70 10.673 -2.883 -11.666 1.00 0.28 H new ATOM 0 HG2 GLU A 70 10.669 -5.312 -10.071 1.00 1.25 H new ATOM 0 HG3 GLU A 70 9.442 -5.465 -11.313 1.00 1.25 H new ATOM 1071 N VAL A 71 10.006 -0.972 -8.198 1.00 0.06 N ATOM 1072 CA VAL A 71 9.705 0.480 -8.014 1.00 0.03 C ATOM 1073 C VAL A 71 10.982 1.301 -8.185 1.00 0.03 C ATOM 1074 O VAL A 71 12.073 0.808 -7.981 1.00 0.06 O ATOM 1075 CB VAL A 71 9.142 0.722 -6.613 1.00 0.06 C ATOM 1076 CG1 VAL A 71 8.080 1.820 -6.681 1.00 0.12 C ATOM 1077 CG2 VAL A 71 8.501 -0.563 -6.088 1.00 0.07 C ATOM 0 H VAL A 71 10.160 -1.504 -7.342 1.00 0.06 H new ATOM 0 HA VAL A 71 8.971 0.783 -8.761 1.00 0.03 H new ATOM 0 HB VAL A 71 9.948 1.025 -5.945 1.00 0.06 H new ATOM 0 HG11 VAL A 71 7.675 1.997 -5.685 1.00 0.12 H new ATOM 0 HG12 VAL A 71 8.530 2.738 -7.058 1.00 0.12 H new ATOM 0 HG13 VAL A 71 7.277 1.509 -7.349 1.00 0.12 H new ATOM 0 HG21 VAL A 71 8.100 -0.388 -5.089 1.00 0.07 H new ATOM 0 HG22 VAL A 71 7.694 -0.866 -6.755 1.00 0.07 H new ATOM 0 HG23 VAL A 71 9.251 -1.353 -6.045 1.00 0.07 H new ATOM 1087 N LYS A 72 10.819 2.536 -8.557 1.00 0.05 N ATOM 1088 CA LYS A 72 12.012 3.406 -8.743 1.00 0.08 C ATOM 1089 C LYS A 72 11.682 4.839 -8.331 1.00 0.12 C ATOM 1090 O LYS A 72 12.287 5.780 -8.804 1.00 0.28 O ATOM 1091 CB LYS A 72 12.432 3.374 -10.212 1.00 0.15 C ATOM 1092 CG LYS A 72 13.922 3.707 -10.316 1.00 0.63 C ATOM 1093 CD LYS A 72 14.736 2.413 -10.215 1.00 1.36 C ATOM 1094 CE LYS A 72 16.224 2.760 -10.147 1.00 1.70 C ATOM 1095 NZ LYS A 72 17.041 1.677 -10.761 1.00 2.49 N ATOM 0 H LYS A 72 9.919 2.980 -8.740 1.00 0.05 H new ATOM 0 HA LYS A 72 12.828 3.040 -8.120 1.00 0.08 H new ATOM 0 HB2 LYS A 72 12.236 2.390 -10.637 1.00 0.15 H new ATOM 0 HB3 LYS A 72 11.846 4.091 -10.786 1.00 0.15 H new ATOM 0 HG2 LYS A 72 14.130 4.208 -11.261 1.00 0.63 H new ATOM 0 HG3 LYS A 72 14.210 4.395 -9.521 1.00 0.63 H new ATOM 0 HD2 LYS A 72 14.440 1.851 -9.329 1.00 1.36 H new ATOM 0 HD3 LYS A 72 14.538 1.776 -11.077 1.00 1.36 H new ATOM 0 HE2 LYS A 72 16.408 3.701 -10.666 1.00 1.70 H new ATOM 0 HE3 LYS A 72 16.523 2.905 -9.109 1.00 1.70 H new ATOM 0 HZ1 LYS A 72 18.049 1.929 -10.706 1.00 2.49 H new ATOM 0 HZ2 LYS A 72 16.878 0.787 -10.249 1.00 2.49 H new ATOM 0 HZ3 LYS A 72 16.767 1.558 -11.757 1.00 2.49 H new ATOM 1109 N CYS A 73 10.722 4.974 -7.458 1.00 0.09 N ATOM 1110 CA CYS A 73 10.337 6.341 -7.001 1.00 0.08 C ATOM 1111 C CYS A 73 9.189 6.260 -5.998 1.00 0.08 C ATOM 1112 O CYS A 73 8.176 5.641 -6.257 1.00 0.14 O ATOM 1113 CB CYS A 73 9.910 7.174 -8.209 1.00 0.10 C ATOM 1114 SG CYS A 73 8.984 6.332 -9.515 1.00 0.19 S ATOM 0 H CYS A 73 10.192 4.207 -7.045 1.00 0.09 H new ATOM 0 HA CYS A 73 11.192 6.810 -6.515 1.00 0.08 H new ATOM 0 HB2 CYS A 73 9.304 8.005 -7.848 1.00 0.10 H new ATOM 0 HB3 CYS A 73 10.807 7.604 -8.655 1.00 0.10 H new ATOM 0 HG CYS A 73 8.699 7.178 -10.460 1.00 0.19 H new ATOM 1120 N THR A 74 9.381 6.894 -4.875 1.00 0.05 N ATOM 1121 CA THR A 74 8.328 6.876 -3.822 1.00 0.04 C ATOM 1122 C THR A 74 7.663 8.270 -3.728 1.00 0.04 C ATOM 1123 O THR A 74 8.273 9.262 -4.075 1.00 0.04 O ATOM 1124 CB THR A 74 9.003 6.541 -2.487 1.00 0.03 C ATOM 1125 OG1 THR A 74 10.215 7.290 -2.500 1.00 0.03 O ATOM 1126 CG2 THR A 74 9.439 5.082 -2.436 1.00 0.02 C ATOM 0 H THR A 74 10.221 7.423 -4.641 1.00 0.05 H new ATOM 0 HA THR A 74 7.564 6.136 -4.061 1.00 0.04 H new ATOM 0 HB THR A 74 8.323 6.749 -1.661 1.00 0.03 H new ATOM 0 HG1 THR A 74 10.708 7.128 -1.669 1.00 0.03 H new ATOM 0 HG21 THR A 74 9.914 4.878 -1.476 1.00 0.02 H new ATOM 0 HG22 THR A 74 8.568 4.438 -2.554 1.00 0.02 H new ATOM 0 HG23 THR A 74 10.148 4.886 -3.241 1.00 0.02 H new ATOM 1134 N PRO A 75 6.420 8.325 -3.260 1.00 0.04 N ATOM 1135 CA PRO A 75 5.622 7.146 -2.851 1.00 0.06 C ATOM 1136 C PRO A 75 5.035 6.424 -4.079 1.00 0.07 C ATOM 1137 O PRO A 75 4.802 7.035 -5.109 1.00 0.09 O ATOM 1138 CB PRO A 75 4.479 7.725 -2.014 1.00 0.06 C ATOM 1139 CG PRO A 75 4.499 9.272 -2.215 1.00 0.04 C ATOM 1140 CD PRO A 75 5.753 9.610 -3.044 1.00 0.03 C ATOM 0 HA PRO A 75 6.228 6.420 -2.309 1.00 0.06 H new ATOM 0 HB2 PRO A 75 3.522 7.308 -2.329 1.00 0.06 H new ATOM 0 HB3 PRO A 75 4.606 7.472 -0.961 1.00 0.06 H new ATOM 0 HG2 PRO A 75 3.597 9.604 -2.729 1.00 0.04 H new ATOM 0 HG3 PRO A 75 4.525 9.784 -1.253 1.00 0.04 H new ATOM 0 HD2 PRO A 75 5.486 10.080 -3.990 1.00 0.03 H new ATOM 0 HD3 PRO A 75 6.401 10.307 -2.513 1.00 0.03 H new ATOM 1148 N THR A 76 4.806 5.138 -3.936 1.00 0.06 N ATOM 1149 CA THR A 76 4.219 4.359 -5.068 1.00 0.07 C ATOM 1150 C THR A 76 3.062 3.497 -4.547 1.00 0.07 C ATOM 1151 O THR A 76 3.252 2.642 -3.708 1.00 0.16 O ATOM 1152 CB THR A 76 5.303 3.467 -5.688 1.00 0.09 C ATOM 1153 OG1 THR A 76 6.173 4.371 -6.361 1.00 0.11 O ATOM 1154 CG2 THR A 76 4.734 2.564 -6.784 1.00 0.23 C ATOM 0 H THR A 76 4.999 4.601 -3.091 1.00 0.06 H new ATOM 0 HA THR A 76 3.840 5.042 -5.829 1.00 0.07 H new ATOM 0 HB THR A 76 5.763 2.851 -4.915 1.00 0.09 H new ATOM 0 HG1 THR A 76 6.879 4.663 -5.748 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.532 1.948 -7.198 1.00 0.23 H new ATOM 0 HG22 THR A 76 3.962 1.921 -6.361 1.00 0.23 H new ATOM 0 HG23 THR A 76 4.302 3.178 -7.574 1.00 0.23 H new ATOM 1162 N PHE A 77 1.885 3.744 -5.055 1.00 0.05 N ATOM 1163 CA PHE A 77 0.708 2.957 -4.585 1.00 0.04 C ATOM 1164 C PHE A 77 0.481 1.738 -5.474 1.00 0.04 C ATOM 1165 O PHE A 77 0.531 1.833 -6.685 1.00 0.04 O ATOM 1166 CB PHE A 77 -0.529 3.843 -4.625 1.00 0.02 C ATOM 1167 CG PHE A 77 -0.476 4.817 -3.454 1.00 0.04 C ATOM 1168 CD1 PHE A 77 -0.596 4.352 -2.159 1.00 0.07 C ATOM 1169 CD2 PHE A 77 -0.307 6.173 -3.671 1.00 0.10 C ATOM 1170 CE1 PHE A 77 -0.549 5.231 -1.096 1.00 0.08 C ATOM 1171 CE2 PHE A 77 -0.259 7.049 -2.606 1.00 0.11 C ATOM 1172 CZ PHE A 77 -0.379 6.577 -1.320 1.00 0.06 C ATOM 0 H PHE A 77 1.688 4.448 -5.767 1.00 0.05 H new ATOM 0 HA PHE A 77 0.898 2.615 -3.568 1.00 0.04 H new ATOM 0 HB2 PHE A 77 -0.572 4.389 -5.568 1.00 0.02 H new ATOM 0 HB3 PHE A 77 -1.431 3.234 -4.568 1.00 0.02 H new ATOM 0 HD1 PHE A 77 -0.727 3.296 -1.977 1.00 0.07 H new ATOM 0 HD2 PHE A 77 -0.212 6.548 -4.679 1.00 0.10 H new ATOM 0 HE1 PHE A 77 -0.646 4.861 -0.086 1.00 0.08 H new ATOM 0 HE2 PHE A 77 -0.127 8.106 -2.783 1.00 0.11 H new ATOM 0 HZ PHE A 77 -0.340 7.263 -0.487 1.00 0.06 H new ATOM 1182 N GLN A 78 0.235 0.616 -4.847 1.00 0.05 N ATOM 1183 CA GLN A 78 -0.013 -0.638 -5.630 1.00 0.07 C ATOM 1184 C GLN A 78 -1.341 -1.276 -5.206 1.00 0.07 C ATOM 1185 O GLN A 78 -1.746 -1.174 -4.066 1.00 0.09 O ATOM 1186 CB GLN A 78 1.127 -1.611 -5.367 1.00 0.10 C ATOM 1187 CG GLN A 78 1.727 -2.087 -6.696 1.00 0.81 C ATOM 1188 CD GLN A 78 2.548 -0.955 -7.321 1.00 1.19 C ATOM 1189 OE1 GLN A 78 2.062 0.141 -7.524 1.00 2.52 O ATOM 1190 NE2 GLN A 78 3.796 -1.175 -7.636 1.00 1.11 N ATOM 0 H GLN A 78 0.195 0.511 -3.833 1.00 0.05 H new ATOM 0 HA GLN A 78 -0.066 -0.399 -6.692 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.896 -1.129 -4.763 1.00 0.10 H new ATOM 0 HB3 GLN A 78 0.763 -2.465 -4.796 1.00 0.10 H new ATOM 0 HG2 GLN A 78 2.359 -2.960 -6.530 1.00 0.81 H new ATOM 0 HG3 GLN A 78 0.933 -2.393 -7.377 1.00 0.81 H new ATOM 0 HE21 GLN A 78 4.210 -2.092 -7.469 1.00 1.11 H new ATOM 0 HE22 GLN A 78 4.357 -0.430 -8.049 1.00 1.11 H new ATOM 1199 N PHE A 79 -1.982 -1.928 -6.144 1.00 0.06 N ATOM 1200 CA PHE A 79 -3.295 -2.580 -5.842 1.00 0.06 C ATOM 1201 C PHE A 79 -3.171 -4.105 -5.980 1.00 0.07 C ATOM 1202 O PHE A 79 -2.697 -4.596 -6.984 1.00 0.17 O ATOM 1203 CB PHE A 79 -4.339 -2.073 -6.845 1.00 0.05 C ATOM 1204 CG PHE A 79 -4.730 -0.622 -6.517 1.00 0.05 C ATOM 1205 CD1 PHE A 79 -3.793 0.402 -6.586 1.00 0.05 C ATOM 1206 CD2 PHE A 79 -6.032 -0.314 -6.150 1.00 0.04 C ATOM 1207 CE1 PHE A 79 -4.158 1.702 -6.290 1.00 0.04 C ATOM 1208 CE2 PHE A 79 -6.388 0.985 -5.856 1.00 0.03 C ATOM 1209 CZ PHE A 79 -5.455 1.991 -5.927 1.00 0.03 C ATOM 0 H PHE A 79 -1.654 -2.037 -7.104 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.594 -2.336 -4.823 1.00 0.06 H new ATOM 0 HB2 PHE A 79 -3.939 -2.130 -7.857 1.00 0.05 H new ATOM 0 HB3 PHE A 79 -5.222 -2.711 -6.815 1.00 0.05 H new ATOM 0 HD1 PHE A 79 -2.775 0.181 -6.872 1.00 0.05 H new ATOM 0 HD2 PHE A 79 -6.773 -1.098 -6.094 1.00 0.04 H new ATOM 0 HE1 PHE A 79 -3.425 2.493 -6.343 1.00 0.04 H new ATOM 0 HE2 PHE A 79 -7.404 1.213 -5.569 1.00 0.03 H new ATOM 0 HZ PHE A 79 -5.738 3.008 -5.698 1.00 0.03 H new ATOM 1219 N PHE A 80 -3.600 -4.820 -4.962 1.00 0.06 N ATOM 1220 CA PHE A 80 -3.528 -6.316 -5.022 1.00 0.08 C ATOM 1221 C PHE A 80 -4.914 -6.913 -4.756 1.00 0.10 C ATOM 1222 O PHE A 80 -5.651 -6.427 -3.917 1.00 0.11 O ATOM 1223 CB PHE A 80 -2.543 -6.814 -3.967 1.00 0.12 C ATOM 1224 CG PHE A 80 -1.112 -6.580 -4.455 1.00 0.13 C ATOM 1225 CD1 PHE A 80 -0.535 -7.422 -5.390 1.00 0.24 C ATOM 1226 CD2 PHE A 80 -0.377 -5.520 -3.964 1.00 0.10 C ATOM 1227 CE1 PHE A 80 0.758 -7.201 -5.824 1.00 0.31 C ATOM 1228 CE2 PHE A 80 0.915 -5.304 -4.397 1.00 0.20 C ATOM 1229 CZ PHE A 80 1.481 -6.143 -5.326 1.00 0.30 C ATOM 0 H PHE A 80 -3.992 -4.436 -4.102 1.00 0.06 H new ATOM 0 HA PHE A 80 -3.192 -6.625 -6.012 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.707 -6.291 -3.025 1.00 0.12 H new ATOM 0 HB3 PHE A 80 -2.704 -7.875 -3.775 1.00 0.12 H new ATOM 0 HD1 PHE A 80 -1.098 -8.256 -5.782 1.00 0.24 H new ATOM 0 HD2 PHE A 80 -0.816 -4.855 -3.235 1.00 0.10 H new ATOM 0 HE1 PHE A 80 1.201 -7.860 -6.556 1.00 0.31 H new ATOM 0 HE2 PHE A 80 1.483 -4.473 -4.005 1.00 0.20 H new ATOM 0 HZ PHE A 80 2.492 -5.972 -5.665 1.00 0.30 H new ATOM 1239 N LYS A 81 -5.239 -7.955 -5.480 1.00 0.12 N ATOM 1240 CA LYS A 81 -6.576 -8.600 -5.295 1.00 0.18 C ATOM 1241 C LYS A 81 -6.433 -10.124 -5.269 1.00 0.19 C ATOM 1242 O LYS A 81 -5.776 -10.703 -6.111 1.00 0.08 O ATOM 1243 CB LYS A 81 -7.486 -8.195 -6.455 1.00 0.20 C ATOM 1244 CG LYS A 81 -8.944 -8.436 -6.060 1.00 0.32 C ATOM 1245 CD LYS A 81 -9.551 -7.127 -5.542 1.00 1.42 C ATOM 1246 CE LYS A 81 -11.010 -7.372 -5.146 1.00 1.39 C ATOM 1247 NZ LYS A 81 -11.902 -7.212 -6.329 1.00 1.21 N ATOM 0 H LYS A 81 -4.642 -8.385 -6.186 1.00 0.12 H new ATOM 0 HA LYS A 81 -7.005 -8.272 -4.348 1.00 0.18 H new ATOM 0 HB2 LYS A 81 -7.333 -7.145 -6.703 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -7.238 -8.772 -7.346 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.510 -8.798 -6.918 1.00 0.32 H new ATOM 0 HG3 LYS A 81 -9.002 -9.207 -5.291 1.00 0.32 H new ATOM 0 HD2 LYS A 81 -8.985 -6.764 -4.684 1.00 1.42 H new ATOM 0 HD3 LYS A 81 -9.495 -6.356 -6.311 1.00 1.42 H new ATOM 0 HE2 LYS A 81 -11.118 -8.375 -4.734 1.00 1.39 H new ATOM 0 HE3 LYS A 81 -11.304 -6.672 -4.363 1.00 1.39 H new ATOM 0 HZ1 LYS A 81 -12.888 -7.381 -6.046 1.00 1.21 H new ATOM 0 HZ2 LYS A 81 -11.810 -6.247 -6.705 1.00 1.21 H new ATOM 0 HZ3 LYS A 81 -11.631 -7.897 -7.063 1.00 1.21 H new ATOM 1261 N LYS A 82 -7.055 -10.741 -4.302 1.00 0.34 N ATOM 1262 CA LYS A 82 -6.964 -12.226 -4.203 1.00 0.38 C ATOM 1263 C LYS A 82 -5.499 -12.670 -4.255 1.00 0.36 C ATOM 1264 O LYS A 82 -5.207 -13.836 -4.429 1.00 0.41 O ATOM 1265 CB LYS A 82 -7.728 -12.853 -5.367 1.00 0.37 C ATOM 1266 CG LYS A 82 -9.230 -12.680 -5.130 1.00 1.31 C ATOM 1267 CD LYS A 82 -9.898 -12.262 -6.440 1.00 2.27 C ATOM 1268 CE LYS A 82 -11.410 -12.176 -6.227 1.00 2.96 C ATOM 1269 NZ LYS A 82 -12.119 -13.148 -7.106 1.00 3.16 N ATOM 0 H LYS A 82 -7.617 -10.287 -3.582 1.00 0.34 H new ATOM 0 HA LYS A 82 -7.397 -12.550 -3.257 1.00 0.38 H new ATOM 0 HB2 LYS A 82 -7.438 -12.380 -6.305 1.00 0.37 H new ATOM 0 HB3 LYS A 82 -7.480 -13.911 -5.453 1.00 0.37 H new ATOM 0 HG2 LYS A 82 -9.663 -13.612 -4.768 1.00 1.31 H new ATOM 0 HG3 LYS A 82 -9.405 -11.927 -4.362 1.00 1.31 H new ATOM 0 HD2 LYS A 82 -9.509 -11.298 -6.769 1.00 2.27 H new ATOM 0 HD3 LYS A 82 -9.669 -12.983 -7.225 1.00 2.27 H new ATOM 0 HE2 LYS A 82 -11.648 -12.381 -5.183 1.00 2.96 H new ATOM 0 HE3 LYS A 82 -11.756 -11.165 -6.441 1.00 2.96 H new ATOM 0 HZ1 LYS A 82 -13.144 -13.075 -6.948 1.00 3.16 H new ATOM 0 HZ2 LYS A 82 -11.906 -12.935 -8.102 1.00 3.16 H new ATOM 0 HZ3 LYS A 82 -11.802 -14.113 -6.883 1.00 3.16 H new ATOM 1283 N GLY A 83 -4.611 -11.726 -4.105 1.00 0.34 N ATOM 1284 CA GLY A 83 -3.162 -12.075 -4.141 1.00 0.38 C ATOM 1285 C GLY A 83 -2.607 -11.891 -5.554 1.00 0.36 C ATOM 1286 O GLY A 83 -1.653 -12.540 -5.939 1.00 0.54 O ATOM 0 H GLY A 83 -4.822 -10.739 -3.961 1.00 0.34 H new ATOM 0 HA2 GLY A 83 -2.612 -11.445 -3.442 1.00 0.38 H new ATOM 0 HA3 GLY A 83 -3.021 -13.107 -3.819 1.00 0.38 H new ATOM 1290 N GLN A 84 -3.218 -11.007 -6.298 1.00 0.24 N ATOM 1291 CA GLN A 84 -2.745 -10.762 -7.691 1.00 0.21 C ATOM 1292 C GLN A 84 -2.805 -9.265 -8.012 1.00 0.14 C ATOM 1293 O GLN A 84 -3.817 -8.623 -7.808 1.00 0.14 O ATOM 1294 CB GLN A 84 -3.634 -11.533 -8.666 1.00 0.21 C ATOM 1295 CG GLN A 84 -3.482 -10.933 -10.065 1.00 1.45 C ATOM 1296 CD GLN A 84 -3.916 -11.965 -11.108 1.00 1.39 C ATOM 1297 OE1 GLN A 84 -5.017 -11.923 -11.620 1.00 1.86 O ATOM 1298 NE2 GLN A 84 -3.081 -12.908 -11.452 1.00 1.72 N ATOM 0 H GLN A 84 -4.019 -10.448 -6.004 1.00 0.24 H new ATOM 0 HA GLN A 84 -1.713 -11.101 -7.786 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.355 -12.587 -8.677 1.00 0.21 H new ATOM 0 HB3 GLN A 84 -4.675 -11.482 -8.346 1.00 0.21 H new ATOM 0 HG2 GLN A 84 -4.088 -10.032 -10.154 1.00 1.45 H new ATOM 0 HG3 GLN A 84 -2.447 -10.639 -10.237 1.00 1.45 H new ATOM 0 HE21 GLN A 84 -2.155 -12.949 -11.026 1.00 1.72 H new ATOM 0 HE22 GLN A 84 -3.355 -13.603 -12.146 1.00 1.72 H new ATOM 1307 N LYS A 85 -1.718 -8.746 -8.509 1.00 0.21 N ATOM 1308 CA LYS A 85 -1.681 -7.297 -8.845 1.00 0.17 C ATOM 1309 C LYS A 85 -2.703 -6.978 -9.941 1.00 0.17 C ATOM 1310 O LYS A 85 -2.864 -7.734 -10.880 1.00 0.25 O ATOM 1311 CB LYS A 85 -0.270 -6.952 -9.340 1.00 0.19 C ATOM 1312 CG LYS A 85 -0.039 -5.435 -9.286 1.00 0.25 C ATOM 1313 CD LYS A 85 1.467 -5.170 -9.232 1.00 0.39 C ATOM 1314 CE LYS A 85 2.125 -5.764 -10.479 1.00 0.59 C ATOM 1315 NZ LYS A 85 3.472 -5.167 -10.695 1.00 0.72 N ATOM 0 H LYS A 85 -0.857 -9.260 -8.696 1.00 0.21 H new ATOM 0 HA LYS A 85 -1.929 -6.709 -7.961 1.00 0.17 H new ATOM 0 HB2 LYS A 85 0.472 -7.461 -8.725 1.00 0.19 H new ATOM 0 HB3 LYS A 85 -0.138 -7.310 -10.361 1.00 0.19 H new ATOM 0 HG2 LYS A 85 -0.476 -4.955 -10.161 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.529 -5.009 -8.411 1.00 0.25 H new ATOM 0 HD2 LYS A 85 1.659 -4.098 -9.180 1.00 0.39 H new ATOM 0 HD3 LYS A 85 1.895 -5.614 -8.333 1.00 0.39 H new ATOM 0 HE2 LYS A 85 2.213 -6.845 -10.370 1.00 0.59 H new ATOM 0 HE3 LYS A 85 1.496 -5.582 -11.351 1.00 0.59 H new ATOM 0 HZ1 LYS A 85 4.028 -5.782 -11.323 1.00 0.72 H new ATOM 0 HZ2 LYS A 85 3.370 -4.228 -11.131 1.00 0.72 H new ATOM 0 HZ3 LYS A 85 3.961 -5.073 -9.782 1.00 0.72 H new ATOM 1329 N VAL A 86 -3.372 -5.864 -9.794 1.00 0.12 N ATOM 1330 CA VAL A 86 -4.389 -5.471 -10.819 1.00 0.13 C ATOM 1331 C VAL A 86 -4.299 -3.969 -11.126 1.00 0.11 C ATOM 1332 O VAL A 86 -4.755 -3.520 -12.160 1.00 0.10 O ATOM 1333 CB VAL A 86 -5.784 -5.800 -10.289 1.00 0.15 C ATOM 1334 CG1 VAL A 86 -6.089 -7.275 -10.559 1.00 0.21 C ATOM 1335 CG2 VAL A 86 -5.825 -5.544 -8.781 1.00 0.24 C ATOM 0 H VAL A 86 -3.261 -5.213 -9.016 1.00 0.12 H new ATOM 0 HA VAL A 86 -4.196 -6.024 -11.738 1.00 0.13 H new ATOM 0 HB VAL A 86 -6.524 -5.174 -10.787 1.00 0.15 H new ATOM 0 HG11 VAL A 86 -7.083 -7.516 -10.183 1.00 0.21 H new ATOM 0 HG12 VAL A 86 -6.051 -7.464 -11.632 1.00 0.21 H new ATOM 0 HG13 VAL A 86 -5.350 -7.898 -10.055 1.00 0.21 H new ATOM 0 HG21 VAL A 86 -6.819 -5.778 -8.399 1.00 0.24 H new ATOM 0 HG22 VAL A 86 -5.088 -6.175 -8.285 1.00 0.24 H new ATOM 0 HG23 VAL A 86 -5.597 -4.496 -8.583 1.00 0.24 H new ATOM 1345 N GLY A 87 -3.715 -3.222 -10.227 1.00 0.11 N ATOM 1346 CA GLY A 87 -3.596 -1.755 -10.466 1.00 0.09 C ATOM 1347 C GLY A 87 -2.321 -1.207 -9.823 1.00 0.08 C ATOM 1348 O GLY A 87 -1.840 -1.739 -8.842 1.00 0.09 O ATOM 0 H GLY A 87 -3.320 -3.559 -9.349 1.00 0.11 H new ATOM 0 HA2 GLY A 87 -3.584 -1.555 -11.537 1.00 0.09 H new ATOM 0 HA3 GLY A 87 -4.466 -1.242 -10.056 1.00 0.09 H new ATOM 1352 N GLU A 88 -1.796 -0.156 -10.391 1.00 0.06 N ATOM 1353 CA GLU A 88 -0.555 0.438 -9.816 1.00 0.05 C ATOM 1354 C GLU A 88 -0.323 1.848 -10.368 1.00 0.03 C ATOM 1355 O GLU A 88 -0.244 2.050 -11.563 1.00 0.05 O ATOM 1356 CB GLU A 88 0.638 -0.454 -10.169 1.00 0.07 C ATOM 1357 CG GLU A 88 0.712 -0.635 -11.690 1.00 1.03 C ATOM 1358 CD GLU A 88 0.808 -2.126 -12.016 1.00 1.98 C ATOM 1359 OE1 GLU A 88 -0.248 -2.720 -12.155 1.00 3.28 O ATOM 1360 OE2 GLU A 88 1.934 -2.588 -12.107 1.00 1.72 O ATOM 0 H GLU A 88 -2.166 0.313 -11.218 1.00 0.06 H new ATOM 0 HA GLU A 88 -0.664 0.505 -8.734 1.00 0.05 H new ATOM 0 HB2 GLU A 88 1.561 -0.007 -9.800 1.00 0.07 H new ATOM 0 HB3 GLU A 88 0.537 -1.424 -9.682 1.00 0.07 H new ATOM 0 HG2 GLU A 88 -0.170 -0.203 -12.163 1.00 1.03 H new ATOM 0 HG3 GLU A 88 1.578 -0.107 -12.089 1.00 1.03 H new ATOM 1367 N PHE A 89 -0.219 2.793 -9.475 1.00 0.05 N ATOM 1368 CA PHE A 89 0.023 4.193 -9.902 1.00 0.08 C ATOM 1369 C PHE A 89 0.793 4.939 -8.807 1.00 0.11 C ATOM 1370 O PHE A 89 0.451 4.852 -7.642 1.00 0.13 O ATOM 1371 CB PHE A 89 -1.325 4.853 -10.152 1.00 0.11 C ATOM 1372 CG PHE A 89 -1.832 5.530 -8.876 1.00 0.10 C ATOM 1373 CD1 PHE A 89 -1.373 6.784 -8.509 1.00 0.11 C ATOM 1374 CD2 PHE A 89 -2.764 4.895 -8.070 1.00 0.11 C ATOM 1375 CE1 PHE A 89 -1.836 7.390 -7.361 1.00 0.11 C ATOM 1376 CE2 PHE A 89 -3.225 5.504 -6.921 1.00 0.11 C ATOM 1377 CZ PHE A 89 -2.761 6.752 -6.568 1.00 0.10 C ATOM 0 H PHE A 89 -0.292 2.653 -8.467 1.00 0.05 H new ATOM 0 HA PHE A 89 0.618 4.218 -10.815 1.00 0.08 H new ATOM 0 HB2 PHE A 89 -1.234 5.589 -10.951 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -2.046 4.107 -10.487 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.647 7.291 -9.127 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -3.132 3.917 -8.343 1.00 0.11 H new ATOM 0 HE1 PHE A 89 -1.472 8.368 -7.084 1.00 0.11 H new ATOM 0 HE2 PHE A 89 -3.950 5.002 -6.298 1.00 0.11 H new ATOM 0 HZ PHE A 89 -3.123 7.229 -5.669 1.00 0.10 H new ATOM 1387 N SER A 90 1.816 5.653 -9.204 1.00 0.14 N ATOM 1388 CA SER A 90 2.632 6.401 -8.196 1.00 0.17 C ATOM 1389 C SER A 90 2.390 7.907 -8.306 1.00 0.17 C ATOM 1390 O SER A 90 1.711 8.367 -9.203 1.00 0.21 O ATOM 1391 CB SER A 90 4.111 6.105 -8.436 1.00 0.20 C ATOM 1392 OG SER A 90 4.379 6.680 -9.707 1.00 0.14 O ATOM 0 H SER A 90 2.120 5.751 -10.173 1.00 0.14 H new ATOM 0 HA SER A 90 2.339 6.078 -7.197 1.00 0.17 H new ATOM 0 HB2 SER A 90 4.737 6.545 -7.660 1.00 0.20 H new ATOM 0 HB3 SER A 90 4.308 5.033 -8.434 1.00 0.20 H new ATOM 0 HG SER A 90 5.320 6.535 -9.940 1.00 0.14 H new ATOM 1398 N GLY A 91 2.958 8.639 -7.377 1.00 0.13 N ATOM 1399 CA GLY A 91 2.783 10.123 -7.382 1.00 0.13 C ATOM 1400 C GLY A 91 2.059 10.571 -6.111 1.00 0.19 C ATOM 1401 O GLY A 91 1.106 9.949 -5.685 1.00 0.29 O ATOM 0 H GLY A 91 3.533 8.273 -6.618 1.00 0.13 H new ATOM 0 HA2 GLY A 91 3.755 10.611 -7.447 1.00 0.13 H new ATOM 0 HA3 GLY A 91 2.214 10.427 -8.260 1.00 0.13 H new ATOM 1405 N ALA A 92 2.527 11.641 -5.529 1.00 0.17 N ATOM 1406 CA ALA A 92 1.875 12.139 -4.281 1.00 0.23 C ATOM 1407 C ALA A 92 0.471 12.670 -4.594 1.00 0.22 C ATOM 1408 O ALA A 92 0.299 13.835 -4.895 1.00 0.56 O ATOM 1409 CB ALA A 92 2.725 13.261 -3.686 1.00 0.26 C ATOM 0 H ALA A 92 3.323 12.188 -5.857 1.00 0.17 H new ATOM 0 HA ALA A 92 1.790 11.319 -3.567 1.00 0.23 H new ATOM 0 HB1 ALA A 92 2.255 13.629 -2.774 1.00 0.26 H new ATOM 0 HB2 ALA A 92 3.719 12.880 -3.453 1.00 0.26 H new ATOM 0 HB3 ALA A 92 2.808 14.075 -4.406 1.00 0.26 H new ATOM 1415 N ASN A 93 -0.501 11.803 -4.515 1.00 0.51 N ATOM 1416 CA ASN A 93 -1.899 12.242 -4.804 1.00 0.46 C ATOM 1417 C ASN A 93 -2.883 11.505 -3.890 1.00 0.49 C ATOM 1418 O ASN A 93 -2.769 10.310 -3.692 1.00 0.55 O ATOM 1419 CB ASN A 93 -2.229 11.933 -6.262 1.00 0.41 C ATOM 1420 CG ASN A 93 -3.339 12.871 -6.737 1.00 0.41 C ATOM 1421 OD1 ASN A 93 -3.561 13.040 -7.921 1.00 0.52 O ATOM 1422 ND2 ASN A 93 -4.061 13.499 -5.850 1.00 0.42 N ATOM 0 H ASN A 93 -0.392 10.820 -4.266 1.00 0.51 H new ATOM 0 HA ASN A 93 -1.984 13.314 -4.623 1.00 0.46 H new ATOM 0 HB2 ASN A 93 -1.341 12.057 -6.882 1.00 0.41 H new ATOM 0 HB3 ASN A 93 -2.546 10.895 -6.363 1.00 0.41 H new ATOM 0 HD21 ASN A 93 -4.806 14.127 -6.151 1.00 0.42 H new ATOM 0 HD22 ASN A 93 -3.880 13.362 -4.856 1.00 0.42 H new ATOM 1429 N LYS A 94 -3.830 12.236 -3.360 1.00 0.59 N ATOM 1430 CA LYS A 94 -4.836 11.603 -2.451 1.00 0.67 C ATOM 1431 C LYS A 94 -6.192 11.496 -3.156 1.00 0.60 C ATOM 1432 O LYS A 94 -6.770 10.430 -3.238 1.00 0.55 O ATOM 1433 CB LYS A 94 -4.985 12.452 -1.183 1.00 0.87 C ATOM 1434 CG LYS A 94 -3.591 12.891 -0.688 1.00 0.31 C ATOM 1435 CD LYS A 94 -3.034 14.025 -1.572 1.00 0.60 C ATOM 1436 CE LYS A 94 -2.525 15.154 -0.674 1.00 0.26 C ATOM 1437 NZ LYS A 94 -1.485 14.646 0.263 1.00 2.16 N ATOM 0 H LYS A 94 -3.951 13.237 -3.515 1.00 0.59 H new ATOM 0 HA LYS A 94 -4.494 10.603 -2.186 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -5.601 13.327 -1.389 1.00 0.87 H new ATOM 0 HB3 LYS A 94 -5.494 11.880 -0.407 1.00 0.87 H new ATOM 0 HG2 LYS A 94 -3.656 13.228 0.347 1.00 0.31 H new ATOM 0 HG3 LYS A 94 -2.909 12.041 -0.705 1.00 0.31 H new ATOM 0 HD2 LYS A 94 -2.226 13.650 -2.200 1.00 0.60 H new ATOM 0 HD3 LYS A 94 -3.810 14.397 -2.240 1.00 0.60 H new ATOM 0 HE2 LYS A 94 -2.111 15.955 -1.286 1.00 0.26 H new ATOM 0 HE3 LYS A 94 -3.355 15.580 -0.110 1.00 0.26 H new ATOM 0 HZ1 LYS A 94 -0.825 15.414 0.498 1.00 2.16 H new ATOM 0 HZ2 LYS A 94 -1.940 14.302 1.133 1.00 2.16 H new ATOM 0 HZ3 LYS A 94 -0.964 13.867 -0.187 1.00 2.16 H new ATOM 1451 N GLU A 95 -6.668 12.602 -3.651 1.00 0.64 N ATOM 1452 CA GLU A 95 -7.979 12.587 -4.353 1.00 0.64 C ATOM 1453 C GLU A 95 -8.019 11.436 -5.362 1.00 0.49 C ATOM 1454 O GLU A 95 -9.075 11.022 -5.798 1.00 0.52 O ATOM 1455 CB GLU A 95 -8.163 13.914 -5.084 1.00 0.68 C ATOM 1456 CG GLU A 95 -9.652 14.254 -5.141 1.00 1.86 C ATOM 1457 CD GLU A 95 -9.913 15.166 -6.341 1.00 2.36 C ATOM 1458 OE1 GLU A 95 -10.023 14.615 -7.425 1.00 3.35 O ATOM 1459 OE2 GLU A 95 -9.985 16.361 -6.108 1.00 1.99 O ATOM 0 H GLU A 95 -6.209 13.511 -3.601 1.00 0.64 H new ATOM 0 HA GLU A 95 -8.780 12.448 -3.627 1.00 0.64 H new ATOM 0 HB2 GLU A 95 -7.617 14.705 -4.570 1.00 0.68 H new ATOM 0 HB3 GLU A 95 -7.754 13.847 -6.092 1.00 0.68 H new ATOM 0 HG2 GLU A 95 -10.243 13.342 -5.227 1.00 1.86 H new ATOM 0 HG3 GLU A 95 -9.960 14.748 -4.220 1.00 1.86 H new ATOM 1466 N LYS A 96 -6.864 10.947 -5.708 1.00 0.36 N ATOM 1467 CA LYS A 96 -6.804 9.825 -6.689 1.00 0.22 C ATOM 1468 C LYS A 96 -7.076 8.488 -5.989 1.00 0.17 C ATOM 1469 O LYS A 96 -7.877 7.700 -6.443 1.00 0.19 O ATOM 1470 CB LYS A 96 -5.414 9.797 -7.323 1.00 0.12 C ATOM 1471 CG LYS A 96 -5.333 8.626 -8.304 1.00 0.28 C ATOM 1472 CD LYS A 96 -4.632 9.089 -9.585 1.00 0.52 C ATOM 1473 CE LYS A 96 -5.595 9.947 -10.412 1.00 0.78 C ATOM 1474 NZ LYS A 96 -4.904 11.170 -10.907 1.00 1.15 N ATOM 0 H LYS A 96 -5.962 11.271 -5.358 1.00 0.36 H new ATOM 0 HA LYS A 96 -7.563 9.976 -7.456 1.00 0.22 H new ATOM 0 HB2 LYS A 96 -5.219 10.736 -7.841 1.00 0.12 H new ATOM 0 HB3 LYS A 96 -4.651 9.694 -6.551 1.00 0.12 H new ATOM 0 HG2 LYS A 96 -4.786 7.797 -7.855 1.00 0.28 H new ATOM 0 HG3 LYS A 96 -6.333 8.260 -8.535 1.00 0.28 H new ATOM 0 HD2 LYS A 96 -3.739 9.662 -9.337 1.00 0.52 H new ATOM 0 HD3 LYS A 96 -4.306 8.226 -10.166 1.00 0.52 H new ATOM 0 HE2 LYS A 96 -5.975 9.370 -11.255 1.00 0.78 H new ATOM 0 HE3 LYS A 96 -6.455 10.228 -9.805 1.00 0.78 H new ATOM 0 HZ1 LYS A 96 -5.569 11.742 -11.466 1.00 1.15 H new ATOM 0 HZ2 LYS A 96 -4.563 11.727 -10.098 1.00 1.15 H new ATOM 0 HZ3 LYS A 96 -4.097 10.896 -11.503 1.00 1.15 H new ATOM 1488 N LEU A 97 -6.399 8.263 -4.897 1.00 0.14 N ATOM 1489 CA LEU A 97 -6.601 6.982 -4.151 1.00 0.09 C ATOM 1490 C LEU A 97 -8.097 6.661 -4.032 1.00 0.12 C ATOM 1491 O LEU A 97 -8.518 5.552 -4.290 1.00 0.23 O ATOM 1492 CB LEU A 97 -6.006 7.128 -2.747 1.00 0.12 C ATOM 1493 CG LEU A 97 -4.475 7.055 -2.828 1.00 0.09 C ATOM 1494 CD1 LEU A 97 -3.886 7.503 -1.491 1.00 0.10 C ATOM 1495 CD2 LEU A 97 -4.025 5.613 -3.112 1.00 0.09 C ATOM 0 H LEU A 97 -5.719 8.904 -4.489 1.00 0.14 H new ATOM 0 HA LEU A 97 -6.109 6.173 -4.691 1.00 0.09 H new ATOM 0 HB2 LEU A 97 -6.312 8.077 -2.308 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -6.384 6.339 -2.097 1.00 0.12 H new ATOM 0 HG LEU A 97 -4.129 7.703 -3.633 1.00 0.09 H new ATOM 0 HD11 LEU A 97 -2.798 7.455 -1.538 1.00 0.10 H new ATOM 0 HD12 LEU A 97 -4.195 8.527 -1.282 1.00 0.10 H new ATOM 0 HD13 LEU A 97 -4.244 6.847 -0.698 1.00 0.10 H new ATOM 0 HD21 LEU A 97 -2.937 5.576 -3.167 1.00 0.09 H new ATOM 0 HD22 LEU A 97 -4.371 4.960 -2.311 1.00 0.09 H new ATOM 0 HD23 LEU A 97 -4.448 5.280 -4.060 1.00 0.09 H new ATOM 1507 N GLU A 98 -8.862 7.643 -3.644 1.00 0.21 N ATOM 1508 CA GLU A 98 -10.331 7.418 -3.489 1.00 0.24 C ATOM 1509 C GLU A 98 -10.934 6.862 -4.777 1.00 0.24 C ATOM 1510 O GLU A 98 -11.305 5.707 -4.849 1.00 0.25 O ATOM 1511 CB GLU A 98 -11.003 8.745 -3.144 1.00 0.29 C ATOM 1512 CG GLU A 98 -12.522 8.556 -3.133 1.00 0.51 C ATOM 1513 CD GLU A 98 -13.149 9.577 -2.180 1.00 0.37 C ATOM 1514 OE1 GLU A 98 -12.826 10.741 -2.347 1.00 1.14 O ATOM 1515 OE2 GLU A 98 -13.916 9.134 -1.341 1.00 1.18 O ATOM 0 H GLU A 98 -8.539 8.586 -3.428 1.00 0.21 H new ATOM 0 HA GLU A 98 -10.495 6.693 -2.692 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -10.662 9.096 -2.170 1.00 0.29 H new ATOM 0 HB3 GLU A 98 -10.725 9.507 -3.873 1.00 0.29 H new ATOM 0 HG2 GLU A 98 -12.924 8.684 -4.138 1.00 0.51 H new ATOM 0 HG3 GLU A 98 -12.772 7.543 -2.816 1.00 0.51 H new ATOM 1522 N ALA A 99 -11.017 7.697 -5.761 1.00 0.25 N ATOM 1523 CA ALA A 99 -11.605 7.249 -7.060 1.00 0.25 C ATOM 1524 C ALA A 99 -10.948 5.944 -7.525 1.00 0.23 C ATOM 1525 O ALA A 99 -11.601 5.081 -8.077 1.00 0.28 O ATOM 1526 CB ALA A 99 -11.384 8.334 -8.112 1.00 0.25 C ATOM 0 H ALA A 99 -10.707 8.668 -5.732 1.00 0.25 H new ATOM 0 HA ALA A 99 -12.672 7.073 -6.924 1.00 0.25 H new ATOM 0 HB1 ALA A 99 -11.811 8.012 -9.062 1.00 0.25 H new ATOM 0 HB2 ALA A 99 -11.868 9.256 -7.791 1.00 0.25 H new ATOM 0 HB3 ALA A 99 -10.315 8.509 -8.235 1.00 0.25 H new ATOM 1532 N THR A 100 -9.669 5.831 -7.294 1.00 0.16 N ATOM 1533 CA THR A 100 -8.960 4.588 -7.718 1.00 0.12 C ATOM 1534 C THR A 100 -9.548 3.382 -6.987 1.00 0.13 C ATOM 1535 O THR A 100 -9.809 2.359 -7.588 1.00 0.14 O ATOM 1536 CB THR A 100 -7.470 4.717 -7.389 1.00 0.08 C ATOM 1537 OG1 THR A 100 -7.094 5.995 -7.894 1.00 0.09 O ATOM 1538 CG2 THR A 100 -6.635 3.711 -8.175 1.00 0.06 C ATOM 0 H THR A 100 -9.089 6.535 -6.836 1.00 0.16 H new ATOM 0 HA THR A 100 -9.084 4.448 -8.792 1.00 0.12 H new ATOM 0 HB THR A 100 -7.311 4.566 -6.321 1.00 0.08 H new ATOM 0 HG1 THR A 100 -7.436 6.695 -7.299 1.00 0.09 H new ATOM 0 HG21 THR A 100 -5.583 3.831 -7.917 1.00 0.06 H new ATOM 0 HG22 THR A 100 -6.956 2.699 -7.928 1.00 0.06 H new ATOM 0 HG23 THR A 100 -6.768 3.883 -9.243 1.00 0.06 H new ATOM 1546 N ILE A 101 -9.739 3.522 -5.703 1.00 0.13 N ATOM 1547 CA ILE A 101 -10.330 2.392 -4.937 1.00 0.13 C ATOM 1548 C ILE A 101 -11.707 2.090 -5.501 1.00 0.14 C ATOM 1549 O ILE A 101 -12.136 0.955 -5.546 1.00 0.13 O ATOM 1550 CB ILE A 101 -10.443 2.780 -3.461 1.00 0.14 C ATOM 1551 CG1 ILE A 101 -9.109 2.501 -2.764 1.00 0.16 C ATOM 1552 CG2 ILE A 101 -11.543 1.948 -2.798 1.00 0.14 C ATOM 1553 CD1 ILE A 101 -8.898 3.532 -1.652 1.00 0.43 C ATOM 0 H ILE A 101 -9.515 4.356 -5.160 1.00 0.13 H new ATOM 0 HA ILE A 101 -9.697 1.509 -5.022 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.688 3.839 -3.379 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.106 1.494 -2.348 1.00 0.16 H new ATOM 0 HG13 ILE A 101 -8.291 2.551 -3.483 1.00 0.16 H new ATOM 0 HG21 ILE A 101 -11.624 2.224 -1.747 1.00 0.14 H new ATOM 0 HG22 ILE A 101 -12.493 2.137 -3.297 1.00 0.14 H new ATOM 0 HG23 ILE A 101 -11.296 0.889 -2.877 1.00 0.14 H new ATOM 0 HD11 ILE A 101 -7.949 3.338 -1.152 1.00 0.43 H new ATOM 0 HD12 ILE A 101 -8.884 4.533 -2.082 1.00 0.43 H new ATOM 0 HD13 ILE A 101 -9.711 3.459 -0.929 1.00 0.43 H new ATOM 1565 N ASN A 102 -12.367 3.123 -5.926 1.00 0.22 N ATOM 1566 CA ASN A 102 -13.714 2.940 -6.522 1.00 0.24 C ATOM 1567 C ASN A 102 -13.564 2.210 -7.852 1.00 0.24 C ATOM 1568 O ASN A 102 -14.527 1.755 -8.436 1.00 0.26 O ATOM 1569 CB ASN A 102 -14.345 4.310 -6.758 1.00 0.25 C ATOM 1570 CG ASN A 102 -15.831 4.252 -6.411 1.00 0.38 C ATOM 1571 OD1 ASN A 102 -16.459 3.214 -6.486 1.00 0.52 O ATOM 1572 ND2 ASN A 102 -16.432 5.344 -6.028 1.00 0.90 N ATOM 0 H ASN A 102 -12.034 4.086 -5.887 1.00 0.22 H new ATOM 0 HA ASN A 102 -14.349 2.360 -5.852 1.00 0.24 H new ATOM 0 HB2 ASN A 102 -13.847 5.062 -6.146 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -14.215 4.608 -7.798 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.424 5.324 -5.793 1.00 0.90 H new ATOM 0 HD22 ASN A 102 -15.910 6.218 -5.963 1.00 0.90 H new ATOM 1579 N GLU A 103 -12.341 2.118 -8.298 1.00 0.23 N ATOM 1580 CA GLU A 103 -12.072 1.428 -9.587 1.00 0.24 C ATOM 1581 C GLU A 103 -12.117 -0.095 -9.401 1.00 0.25 C ATOM 1582 O GLU A 103 -12.712 -0.797 -10.193 1.00 0.32 O ATOM 1583 CB GLU A 103 -10.686 1.840 -10.088 1.00 0.22 C ATOM 1584 CG GLU A 103 -10.652 1.732 -11.615 1.00 0.23 C ATOM 1585 CD GLU A 103 -9.221 1.958 -12.109 1.00 1.37 C ATOM 1586 OE1 GLU A 103 -8.906 3.112 -12.345 1.00 1.36 O ATOM 1587 OE2 GLU A 103 -8.524 0.963 -12.221 1.00 2.60 O ATOM 0 H GLU A 103 -11.518 2.491 -7.824 1.00 0.23 H new ATOM 0 HA GLU A 103 -12.835 1.712 -10.312 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -10.462 2.861 -9.778 1.00 0.22 H new ATOM 0 HB3 GLU A 103 -9.922 1.199 -9.649 1.00 0.22 H new ATOM 0 HG2 GLU A 103 -11.006 0.750 -11.929 1.00 0.23 H new ATOM 0 HG3 GLU A 103 -11.322 2.469 -12.058 1.00 0.23 H new ATOM 1594 N LEU A 104 -11.488 -0.571 -8.350 1.00 0.19 N ATOM 1595 CA LEU A 104 -11.473 -2.052 -8.108 1.00 0.19 C ATOM 1596 C LEU A 104 -12.441 -2.440 -6.979 1.00 0.19 C ATOM 1597 O LEU A 104 -12.563 -3.602 -6.645 1.00 0.20 O ATOM 1598 CB LEU A 104 -10.054 -2.483 -7.726 1.00 0.16 C ATOM 1599 CG LEU A 104 -9.044 -1.865 -8.700 1.00 0.18 C ATOM 1600 CD1 LEU A 104 -7.658 -2.447 -8.418 1.00 0.17 C ATOM 1601 CD2 LEU A 104 -9.448 -2.205 -10.138 1.00 0.26 C ATOM 0 H LEU A 104 -10.992 -0.008 -7.659 1.00 0.19 H new ATOM 0 HA LEU A 104 -11.791 -2.555 -9.021 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.830 -2.168 -6.707 1.00 0.16 H new ATOM 0 HB3 LEU A 104 -9.976 -3.570 -7.748 1.00 0.16 H new ATOM 0 HG LEU A 104 -9.026 -0.783 -8.572 1.00 0.18 H new ATOM 0 HD11 LEU A 104 -6.934 -2.012 -9.107 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.368 -2.216 -7.393 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.683 -3.528 -8.553 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.730 -1.766 -10.831 1.00 0.26 H new ATOM 0 HD22 LEU A 104 -9.461 -3.287 -10.266 1.00 0.26 H new ATOM 0 HD23 LEU A 104 -10.441 -1.804 -10.341 1.00 0.26 H new ATOM 1613 N VAL A 105 -13.107 -1.470 -6.413 1.00 0.20 N ATOM 1614 CA VAL A 105 -14.064 -1.797 -5.309 1.00 0.22 C ATOM 1615 C VAL A 105 -14.980 -2.950 -5.734 1.00 0.28 C ATOM 1616 O VAL A 105 -15.294 -2.985 -6.912 1.00 1.09 O ATOM 1617 CB VAL A 105 -14.910 -0.564 -4.993 1.00 0.31 C ATOM 1618 CG1 VAL A 105 -15.841 -0.278 -6.173 1.00 0.41 C ATOM 1619 CG2 VAL A 105 -15.750 -0.831 -3.739 1.00 0.42 C ATOM 1620 OXT VAL A 105 -15.314 -3.728 -4.856 1.00 1.00 O ATOM 0 H VAL A 105 -13.035 -0.483 -6.659 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.503 -2.096 -4.424 1.00 0.22 H new ATOM 0 HB VAL A 105 -14.259 0.293 -4.820 1.00 0.31 H new ATOM 0 HG11 VAL A 105 -16.447 0.601 -5.953 1.00 0.41 H new ATOM 0 HG12 VAL A 105 -15.247 -0.095 -7.069 1.00 0.41 H new ATOM 0 HG13 VAL A 105 -16.492 -1.136 -6.339 1.00 0.41 H new ATOM 0 HG21 VAL A 105 -16.354 0.047 -3.512 1.00 0.42 H new ATOM 0 HG22 VAL A 105 -16.404 -1.686 -3.914 1.00 0.42 H new ATOM 0 HG23 VAL A 105 -15.090 -1.045 -2.898 1.00 0.42 H new