USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 THR OG1 : rot 49:sc= 0.775 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0608 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 140:sc= -1.05 (180deg=-3.7!) USER MOD Single : A 20 ASN : amide:sc= -2.65 K(o=-2.6,f=-5.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -95:sc= -0.0121 (180deg=-1.98!) USER MOD Single : A 36 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.018) USER MOD Single : A 40 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.625 K(o=-0.62,f=-4.6!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -135:sc= -1.97 (180deg=-7.85!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -2.09 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.93) USER MOD Single : A 74 ASN : amide:sc= -4.32 K(o=-4.3,f=-8.8!) USER MOD Single : A 75 SER OG : rot 38:sc= 0.692 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -62:sc= 0.18 USER MOD Single : A 88 SER OG : rot 180:sc= -0.155 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.926 -4.547 30.197 1.00 0.00 N ATOM 2 CA GLY A 1 -0.083 -3.865 31.162 1.00 0.00 C ATOM 3 C GLY A 1 -0.121 -2.358 31.002 1.00 0.00 C ATOM 4 O GLY A 1 -1.032 -1.816 30.374 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.475 -5.288 30.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.576 -3.863 29.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.332 -4.980 29.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.403 -4.128 32.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.944 -4.213 31.053 1.00 0.00 H new ATOM 8 N SER A 2 0.869 -1.678 31.572 1.00 0.00 N ATOM 9 CA SER A 2 0.942 -0.224 31.494 1.00 0.00 C ATOM 10 C SER A 2 2.251 0.220 30.848 1.00 0.00 C ATOM 11 O SER A 2 3.331 -0.223 31.239 1.00 0.00 O ATOM 12 CB SER A 2 0.814 0.390 32.889 1.00 0.00 C ATOM 13 OG SER A 2 -0.386 -0.022 33.519 1.00 0.00 O ATOM 0 H SER A 2 1.632 -2.111 32.093 1.00 0.00 H new ATOM 0 HA SER A 2 0.115 0.124 30.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.668 0.096 33.499 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.835 1.477 32.815 1.00 0.00 H new ATOM 0 HG SER A 2 -0.443 0.383 34.410 1.00 0.00 H new ATOM 19 N SER A 3 2.146 1.099 29.856 1.00 0.00 N ATOM 20 CA SER A 3 3.320 1.601 29.153 1.00 0.00 C ATOM 21 C SER A 3 4.131 0.453 28.559 1.00 0.00 C ATOM 22 O SER A 3 5.356 0.425 28.661 1.00 0.00 O ATOM 23 CB SER A 3 4.197 2.422 30.101 1.00 0.00 C ATOM 24 OG SER A 3 3.588 3.663 30.412 1.00 0.00 O ATOM 0 H SER A 3 1.260 1.478 29.522 1.00 0.00 H new ATOM 0 HA SER A 3 2.978 2.241 28.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.373 1.859 31.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.170 2.596 29.642 1.00 0.00 H new ATOM 0 HG SER A 3 4.167 4.168 31.020 1.00 0.00 H new ATOM 30 N GLY A 4 3.435 -0.495 27.938 1.00 0.00 N ATOM 31 CA GLY A 4 4.105 -1.634 27.337 1.00 0.00 C ATOM 32 C GLY A 4 3.588 -1.943 25.946 1.00 0.00 C ATOM 33 O GLY A 4 2.392 -2.164 25.756 1.00 0.00 O ATOM 0 H GLY A 4 2.420 -0.495 27.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.176 -1.437 27.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.970 -2.508 27.974 1.00 0.00 H new ATOM 37 N SER A 5 4.491 -1.957 24.971 1.00 0.00 N ATOM 38 CA SER A 5 4.118 -2.235 23.589 1.00 0.00 C ATOM 39 C SER A 5 4.619 -3.610 23.158 1.00 0.00 C ATOM 40 O SER A 5 3.865 -4.415 22.610 1.00 0.00 O ATOM 41 CB SER A 5 4.683 -1.160 22.659 1.00 0.00 C ATOM 42 OG SER A 5 4.160 0.118 22.980 1.00 0.00 O ATOM 0 H SER A 5 5.485 -1.779 25.112 1.00 0.00 H new ATOM 0 HA SER A 5 3.030 -2.226 23.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.770 -1.142 22.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.442 -1.406 21.625 1.00 0.00 H new ATOM 0 HG SER A 5 4.538 0.788 22.373 1.00 0.00 H new ATOM 48 N SER A 6 5.898 -3.873 23.409 1.00 0.00 N ATOM 49 CA SER A 6 6.503 -5.148 23.044 1.00 0.00 C ATOM 50 C SER A 6 6.226 -5.482 21.581 1.00 0.00 C ATOM 51 O SER A 6 5.925 -6.625 21.239 1.00 0.00 O ATOM 52 CB SER A 6 5.969 -6.265 23.943 1.00 0.00 C ATOM 53 OG SER A 6 6.871 -7.357 23.990 1.00 0.00 O ATOM 0 H SER A 6 6.535 -3.219 23.864 1.00 0.00 H new ATOM 0 HA SER A 6 7.581 -5.063 23.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.807 -5.880 24.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.002 -6.604 23.572 1.00 0.00 H new ATOM 0 HG SER A 6 6.508 -8.057 24.572 1.00 0.00 H new ATOM 59 N GLY A 7 6.331 -4.474 20.721 1.00 0.00 N ATOM 60 CA GLY A 7 6.090 -4.679 19.305 1.00 0.00 C ATOM 61 C GLY A 7 7.355 -4.562 18.478 1.00 0.00 C ATOM 62 O GLY A 7 8.452 -4.443 19.023 1.00 0.00 O ATOM 0 H GLY A 7 6.579 -3.519 20.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.651 -5.665 19.154 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.361 -3.948 18.954 1.00 0.00 H new ATOM 66 N ARG A 8 7.203 -4.598 17.158 1.00 0.00 N ATOM 67 CA ARG A 8 8.343 -4.498 16.254 1.00 0.00 C ATOM 68 C ARG A 8 7.936 -3.846 14.936 1.00 0.00 C ATOM 69 O ARG A 8 6.898 -4.175 14.364 1.00 0.00 O ATOM 70 CB ARG A 8 8.933 -5.885 15.989 1.00 0.00 C ATOM 71 CG ARG A 8 7.973 -6.831 15.286 1.00 0.00 C ATOM 72 CD ARG A 8 8.679 -8.094 14.818 1.00 0.00 C ATOM 73 NE ARG A 8 7.739 -9.178 14.546 1.00 0.00 N ATOM 74 CZ ARG A 8 8.103 -10.367 14.080 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.380 -10.624 13.834 1.00 0.00 N ATOM 76 NH2 ARG A 8 7.188 -11.302 13.858 1.00 0.00 N ATOM 0 H ARG A 8 6.302 -4.696 16.691 1.00 0.00 H new ATOM 0 HA ARG A 8 9.099 -3.873 16.730 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.833 -5.778 15.383 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.237 -6.328 16.937 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.161 -7.096 15.963 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.523 -6.326 14.431 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.252 -7.876 13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.391 -8.414 15.579 1.00 0.00 H new ATOM 0 HE ARG A 8 6.748 -9.013 14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.086 -9.907 14.003 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.656 -11.538 13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.204 -11.108 14.045 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.468 -12.215 13.500 1.00 0.00 H new ATOM 90 N MET A 9 8.763 -2.920 14.461 1.00 0.00 N ATOM 91 CA MET A 9 8.489 -2.222 13.210 1.00 0.00 C ATOM 92 C MET A 9 8.741 -3.133 12.013 1.00 0.00 C ATOM 93 O MET A 9 9.787 -3.777 11.919 1.00 0.00 O ATOM 94 CB MET A 9 9.357 -0.966 13.102 1.00 0.00 C ATOM 95 CG MET A 9 9.181 -0.004 14.265 1.00 0.00 C ATOM 96 SD MET A 9 7.804 1.135 14.022 1.00 0.00 S ATOM 97 CE MET A 9 6.414 0.071 14.402 1.00 0.00 C ATOM 0 H MET A 9 9.627 -2.636 14.923 1.00 0.00 H new ATOM 0 HA MET A 9 7.439 -1.931 13.207 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.404 -1.262 13.041 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.118 -0.448 12.173 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.020 -0.573 15.181 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.100 0.567 14.402 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.673 0.630 14.974 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.964 -0.285 13.475 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.758 -0.781 14.989 1.00 0.00 H new ATOM 107 N LEU A 10 7.777 -3.183 11.100 1.00 0.00 N ATOM 108 CA LEU A 10 7.895 -4.016 9.908 1.00 0.00 C ATOM 109 C LEU A 10 8.256 -3.174 8.689 1.00 0.00 C ATOM 110 O LEU A 10 7.495 -2.297 8.280 1.00 0.00 O ATOM 111 CB LEU A 10 6.585 -4.765 9.655 1.00 0.00 C ATOM 112 CG LEU A 10 6.141 -5.730 10.754 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.711 -6.190 10.515 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.081 -6.925 10.828 1.00 0.00 C ATOM 0 H LEU A 10 6.905 -2.657 11.162 1.00 0.00 H new ATOM 0 HA LEU A 10 8.694 -4.738 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.794 -4.031 9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.684 -5.325 8.725 1.00 0.00 H new ATOM 0 HG LEU A 10 6.178 -5.204 11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.412 -6.876 11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.046 -5.326 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.648 -6.698 9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.749 -7.601 11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.077 -7.451 9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.091 -6.580 11.048 1.00 0.00 H new ATOM 126 N ASP A 11 9.421 -3.448 8.111 1.00 0.00 N ATOM 127 CA ASP A 11 9.882 -2.718 6.936 1.00 0.00 C ATOM 128 C ASP A 11 9.156 -3.193 5.682 1.00 0.00 C ATOM 129 O ASP A 11 9.482 -4.241 5.122 1.00 0.00 O ATOM 130 CB ASP A 11 11.392 -2.890 6.763 1.00 0.00 C ATOM 131 CG ASP A 11 11.884 -2.369 5.427 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.651 -1.179 5.131 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.504 -3.153 4.677 1.00 0.00 O ATOM 0 H ASP A 11 10.063 -4.170 8.437 1.00 0.00 H new ATOM 0 HA ASP A 11 9.659 -1.661 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.909 -2.366 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.647 -3.946 6.855 1.00 0.00 H new ATOM 138 N PHE A 12 8.170 -2.417 5.245 1.00 0.00 N ATOM 139 CA PHE A 12 7.396 -2.760 4.058 1.00 0.00 C ATOM 140 C PHE A 12 7.795 -1.881 2.876 1.00 0.00 C ATOM 141 O PHE A 12 7.458 -0.698 2.827 1.00 0.00 O ATOM 142 CB PHE A 12 5.899 -2.609 4.337 1.00 0.00 C ATOM 143 CG PHE A 12 5.305 -3.778 5.069 1.00 0.00 C ATOM 144 CD1 PHE A 12 4.889 -4.906 4.380 1.00 0.00 C ATOM 145 CD2 PHE A 12 5.163 -3.750 6.447 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.342 -5.984 5.050 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.617 -4.825 7.123 1.00 0.00 C ATOM 148 CZ PHE A 12 4.205 -5.943 6.424 1.00 0.00 C ATOM 0 H PHE A 12 7.888 -1.546 5.695 1.00 0.00 H new ATOM 0 HA PHE A 12 7.608 -3.799 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.736 -1.704 4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.373 -2.477 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.994 -4.943 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.482 -2.879 6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.022 -6.857 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.513 -4.791 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.777 -6.783 6.951 1.00 0.00 H new ATOM 158 N ARG A 13 8.515 -2.468 1.926 1.00 0.00 N ATOM 159 CA ARG A 13 8.962 -1.739 0.745 1.00 0.00 C ATOM 160 C ARG A 13 7.931 -1.836 -0.376 1.00 0.00 C ATOM 161 O ARG A 13 7.805 -2.871 -1.030 1.00 0.00 O ATOM 162 CB ARG A 13 10.308 -2.283 0.263 1.00 0.00 C ATOM 163 CG ARG A 13 11.110 -1.286 -0.557 1.00 0.00 C ATOM 164 CD ARG A 13 12.013 -0.438 0.324 1.00 0.00 C ATOM 165 NE ARG A 13 12.983 -1.249 1.055 1.00 0.00 N ATOM 166 CZ ARG A 13 14.138 -0.779 1.512 1.00 0.00 C ATOM 167 NH1 ARG A 13 14.466 0.490 1.315 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.969 -1.580 2.168 1.00 0.00 N ATOM 0 H ARG A 13 8.801 -3.447 1.951 1.00 0.00 H new ATOM 0 HA ARG A 13 9.079 -0.690 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.898 -2.587 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.135 -3.177 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.713 -1.819 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.430 -0.639 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.540 0.290 -0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.404 0.125 1.032 1.00 0.00 H new ATOM 0 HE ARG A 13 12.761 -2.230 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.831 1.109 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.354 0.848 1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.721 -2.557 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.856 -1.218 2.519 1.00 0.00 H new ATOM 182 N VAL A 14 7.196 -0.749 -0.592 1.00 0.00 N ATOM 183 CA VAL A 14 6.177 -0.711 -1.633 1.00 0.00 C ATOM 184 C VAL A 14 6.750 -0.182 -2.943 1.00 0.00 C ATOM 185 O VAL A 14 6.987 1.017 -3.089 1.00 0.00 O ATOM 186 CB VAL A 14 4.982 0.167 -1.217 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.944 0.218 -2.328 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.367 -0.350 0.075 1.00 0.00 C ATOM 0 H VAL A 14 7.288 0.116 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 14 5.833 -1.735 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 14 5.341 1.181 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.107 0.843 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.394 0.637 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.586 -0.790 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.524 0.282 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.021 -1.373 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.115 -0.329 0.868 1.00 0.00 H new ATOM 198 N GLU A 15 6.970 -1.084 -3.894 1.00 0.00 N ATOM 199 CA GLU A 15 7.515 -0.707 -5.193 1.00 0.00 C ATOM 200 C GLU A 15 6.410 -0.230 -6.130 1.00 0.00 C ATOM 201 O GLU A 15 5.650 -1.033 -6.672 1.00 0.00 O ATOM 202 CB GLU A 15 8.257 -1.889 -5.822 1.00 0.00 C ATOM 203 CG GLU A 15 9.149 -1.497 -6.988 1.00 0.00 C ATOM 204 CD GLU A 15 9.392 -2.645 -7.948 1.00 0.00 C ATOM 205 OE1 GLU A 15 9.906 -3.692 -7.502 1.00 0.00 O ATOM 206 OE2 GLU A 15 9.068 -2.497 -9.145 1.00 0.00 O ATOM 0 H GLU A 15 6.779 -2.081 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 15 8.216 0.113 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.864 -2.374 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.528 -2.624 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.692 -0.668 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.105 -1.140 -6.605 1.00 0.00 H new ATOM 213 N TYR A 16 6.325 1.083 -6.315 1.00 0.00 N ATOM 214 CA TYR A 16 5.311 1.669 -7.184 1.00 0.00 C ATOM 215 C TYR A 16 5.950 2.310 -8.412 1.00 0.00 C ATOM 216 O TYR A 16 7.061 2.836 -8.344 1.00 0.00 O ATOM 217 CB TYR A 16 4.494 2.711 -6.418 1.00 0.00 C ATOM 218 CG TYR A 16 3.481 3.435 -7.275 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.621 2.734 -8.111 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.383 4.821 -7.248 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.694 3.392 -8.897 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.459 5.487 -8.029 1.00 0.00 C ATOM 223 CZ TYR A 16 1.617 4.769 -8.852 1.00 0.00 C ATOM 224 OH TYR A 16 0.695 5.428 -9.632 1.00 0.00 O ATOM 0 H TYR A 16 6.946 1.762 -5.875 1.00 0.00 H new ATOM 0 HA TYR A 16 4.648 0.870 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.976 2.220 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.173 3.441 -5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.678 1.656 -8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.041 5.387 -6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.034 2.832 -9.543 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.396 6.565 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 16 0.770 6.394 -9.482 1.00 0.00 H new ATOM 234 N ARG A 17 5.240 2.261 -9.534 1.00 0.00 N ATOM 235 CA ARG A 17 5.736 2.835 -10.778 1.00 0.00 C ATOM 236 C ARG A 17 6.562 4.089 -10.507 1.00 0.00 C ATOM 237 O ARG A 17 7.734 4.164 -10.875 1.00 0.00 O ATOM 238 CB ARG A 17 4.570 3.172 -11.710 1.00 0.00 C ATOM 239 CG ARG A 17 4.014 1.966 -12.449 1.00 0.00 C ATOM 240 CD ARG A 17 2.572 2.191 -12.877 1.00 0.00 C ATOM 241 NE ARG A 17 2.454 3.265 -13.860 1.00 0.00 N ATOM 242 CZ ARG A 17 1.442 3.371 -14.714 1.00 0.00 C ATOM 243 NH1 ARG A 17 0.466 2.473 -14.706 1.00 0.00 N ATOM 244 NH2 ARG A 17 1.405 4.376 -15.579 1.00 0.00 N ATOM 0 H ARG A 17 4.319 1.829 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 17 6.376 2.096 -11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.771 3.631 -11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.900 3.913 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.627 1.761 -13.326 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.071 1.087 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.171 1.269 -13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.968 2.432 -12.002 1.00 0.00 H new ATOM 0 HE ARG A 17 3.189 3.972 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.491 1.698 -14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.310 2.557 -15.363 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.154 5.068 -15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.628 4.456 -16.234 1.00 0.00 H new ATOM 258 N ASP A 18 5.943 5.071 -9.861 1.00 0.00 N ATOM 259 CA ASP A 18 6.620 6.322 -9.539 1.00 0.00 C ATOM 260 C ASP A 18 7.962 6.054 -8.865 1.00 0.00 C ATOM 261 O ASP A 18 9.007 6.496 -9.343 1.00 0.00 O ATOM 262 CB ASP A 18 5.742 7.184 -8.631 1.00 0.00 C ATOM 263 CG ASP A 18 4.671 7.931 -9.402 1.00 0.00 C ATOM 264 OD1 ASP A 18 4.885 8.206 -10.601 1.00 0.00 O ATOM 265 OD2 ASP A 18 3.618 8.240 -8.805 1.00 0.00 O ATOM 0 H ASP A 18 4.973 5.025 -9.550 1.00 0.00 H new ATOM 0 HA ASP A 18 6.801 6.859 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.270 6.551 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.368 7.900 -8.098 1.00 0.00 H new ATOM 270 N ARG A 19 7.925 5.330 -7.751 1.00 0.00 N ATOM 271 CA ARG A 19 9.138 5.007 -7.009 1.00 0.00 C ATOM 272 C ARG A 19 8.830 4.068 -5.847 1.00 0.00 C ATOM 273 O ARG A 19 7.674 3.897 -5.463 1.00 0.00 O ATOM 274 CB ARG A 19 9.798 6.284 -6.486 1.00 0.00 C ATOM 275 CG ARG A 19 8.960 7.025 -5.458 1.00 0.00 C ATOM 276 CD ARG A 19 9.757 8.129 -4.781 1.00 0.00 C ATOM 277 NE ARG A 19 10.262 9.108 -5.740 1.00 0.00 N ATOM 278 CZ ARG A 19 10.585 10.355 -5.417 1.00 0.00 C ATOM 279 NH1 ARG A 19 10.457 10.773 -4.165 1.00 0.00 N ATOM 280 NH2 ARG A 19 11.037 11.187 -6.347 1.00 0.00 N ATOM 0 H ARG A 19 7.068 4.956 -7.343 1.00 0.00 H new ATOM 0 HA ARG A 19 9.826 4.504 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.761 6.030 -6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.999 6.949 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.082 7.453 -5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.599 6.323 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.128 8.632 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.593 7.690 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 19 10.373 8.818 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.110 10.136 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.706 11.731 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.137 10.869 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.285 12.145 -6.098 1.00 0.00 H new ATOM 294 N ASN A 20 9.874 3.461 -5.291 1.00 0.00 N ATOM 295 CA ASN A 20 9.715 2.538 -4.172 1.00 0.00 C ATOM 296 C ASN A 20 9.752 3.284 -2.842 1.00 0.00 C ATOM 297 O ASN A 20 10.760 3.896 -2.489 1.00 0.00 O ATOM 298 CB ASN A 20 10.813 1.473 -4.203 1.00 0.00 C ATOM 299 CG ASN A 20 11.068 0.946 -5.602 1.00 0.00 C ATOM 300 OD1 ASN A 20 10.209 1.041 -6.479 1.00 0.00 O ATOM 301 ND2 ASN A 20 12.252 0.385 -5.816 1.00 0.00 N ATOM 0 H ASN A 20 10.838 3.591 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 20 8.744 2.052 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.735 1.894 -3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.531 0.646 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.480 0.011 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.934 0.328 -5.059 1.00 0.00 H new ATOM 308 N VAL A 21 8.645 3.229 -2.108 1.00 0.00 N ATOM 309 CA VAL A 21 8.551 3.897 -0.815 1.00 0.00 C ATOM 310 C VAL A 21 8.628 2.894 0.330 1.00 0.00 C ATOM 311 O VAL A 21 8.132 1.772 0.220 1.00 0.00 O ATOM 312 CB VAL A 21 7.242 4.700 -0.693 1.00 0.00 C ATOM 313 CG1 VAL A 21 6.045 3.763 -0.635 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.284 5.602 0.531 1.00 0.00 C ATOM 0 H VAL A 21 7.801 2.729 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 21 9.397 4.582 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 21 7.137 5.330 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.129 4.348 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.008 3.163 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.139 3.106 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.352 6.162 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.412 4.994 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.119 6.297 0.442 1.00 0.00 H new ATOM 324 N ASP A 22 9.253 3.304 1.428 1.00 0.00 N ATOM 325 CA ASP A 22 9.394 2.442 2.595 1.00 0.00 C ATOM 326 C ASP A 22 8.316 2.748 3.630 1.00 0.00 C ATOM 327 O ASP A 22 8.109 3.902 4.004 1.00 0.00 O ATOM 328 CB ASP A 22 10.780 2.613 3.218 1.00 0.00 C ATOM 329 CG ASP A 22 10.830 2.142 4.658 1.00 0.00 C ATOM 330 OD1 ASP A 22 10.074 2.689 5.487 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.625 1.226 4.956 1.00 0.00 O ATOM 0 H ASP A 22 9.670 4.229 1.534 1.00 0.00 H new ATOM 0 HA ASP A 22 9.276 1.409 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.510 2.056 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.069 3.663 3.172 1.00 0.00 H new ATOM 336 N VAL A 23 7.631 1.705 4.090 1.00 0.00 N ATOM 337 CA VAL A 23 6.574 1.862 5.082 1.00 0.00 C ATOM 338 C VAL A 23 6.914 1.119 6.369 1.00 0.00 C ATOM 339 O VAL A 23 7.516 0.045 6.338 1.00 0.00 O ATOM 340 CB VAL A 23 5.223 1.351 4.548 1.00 0.00 C ATOM 341 CG1 VAL A 23 4.142 1.491 5.610 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.835 2.097 3.280 1.00 0.00 C ATOM 0 H VAL A 23 7.789 0.743 3.791 1.00 0.00 H new ATOM 0 HA VAL A 23 6.493 2.928 5.292 1.00 0.00 H new ATOM 0 HB VAL A 23 5.325 0.294 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.194 1.125 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.418 0.909 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.038 2.540 5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.878 1.723 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.750 3.162 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.599 1.941 2.518 1.00 0.00 H new ATOM 352 N VAL A 24 6.523 1.696 7.501 1.00 0.00 N ATOM 353 CA VAL A 24 6.784 1.088 8.800 1.00 0.00 C ATOM 354 C VAL A 24 5.548 1.143 9.691 1.00 0.00 C ATOM 355 O VAL A 24 5.082 2.223 10.058 1.00 0.00 O ATOM 356 CB VAL A 24 7.955 1.783 9.520 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.946 1.445 11.003 1.00 0.00 C ATOM 358 CG2 VAL A 24 9.280 1.390 8.883 1.00 0.00 C ATOM 0 H VAL A 24 6.024 2.585 7.544 1.00 0.00 H new ATOM 0 HA VAL A 24 7.048 0.047 8.615 1.00 0.00 H new ATOM 0 HB VAL A 24 7.834 2.861 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.780 1.945 11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.009 1.781 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.042 0.367 11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.097 1.890 9.404 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.412 0.310 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.282 1.688 7.834 1.00 0.00 H new ATOM 368 N LEU A 25 5.022 -0.026 10.037 1.00 0.00 N ATOM 369 CA LEU A 25 3.840 -0.112 10.887 1.00 0.00 C ATOM 370 C LEU A 25 3.902 -1.344 11.784 1.00 0.00 C ATOM 371 O LEU A 25 4.334 -2.413 11.356 1.00 0.00 O ATOM 372 CB LEU A 25 2.573 -0.154 10.030 1.00 0.00 C ATOM 373 CG LEU A 25 2.233 -1.506 9.402 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.867 -1.457 8.735 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.303 -1.914 8.400 1.00 0.00 C ATOM 0 H LEU A 25 5.395 -0.928 9.742 1.00 0.00 H new ATOM 0 HA LEU A 25 3.814 0.775 11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.731 0.160 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.674 0.580 9.231 1.00 0.00 H new ATOM 0 HG LEU A 25 2.201 -2.254 10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.643 -2.428 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.108 -1.212 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.870 -0.696 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.044 -2.879 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.368 -1.164 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.265 -1.992 8.906 1.00 0.00 H new ATOM 387 N GLU A 26 3.465 -1.186 13.029 1.00 0.00 N ATOM 388 CA GLU A 26 3.470 -2.286 13.986 1.00 0.00 C ATOM 389 C GLU A 26 2.712 -3.490 13.434 1.00 0.00 C ATOM 390 O GLU A 26 1.963 -3.374 12.464 1.00 0.00 O ATOM 391 CB GLU A 26 2.848 -1.842 15.311 1.00 0.00 C ATOM 392 CG GLU A 26 3.307 -2.664 16.504 1.00 0.00 C ATOM 393 CD GLU A 26 3.305 -1.869 17.796 1.00 0.00 C ATOM 394 OE1 GLU A 26 3.720 -0.691 17.767 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.888 -2.424 18.834 1.00 0.00 O ATOM 0 H GLU A 26 3.103 -0.307 13.399 1.00 0.00 H new ATOM 0 HA GLU A 26 4.506 -2.578 14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.094 -0.795 15.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.763 -1.905 15.233 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.656 -3.532 16.615 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.312 -3.041 16.315 1.00 0.00 H new ATOM 402 N ASP A 27 2.913 -4.645 14.058 1.00 0.00 N ATOM 403 CA ASP A 27 2.249 -5.871 13.631 1.00 0.00 C ATOM 404 C ASP A 27 0.848 -5.967 14.227 1.00 0.00 C ATOM 405 O ASP A 27 0.306 -7.059 14.396 1.00 0.00 O ATOM 406 CB ASP A 27 3.074 -7.093 14.039 1.00 0.00 C ATOM 407 CG ASP A 27 3.729 -6.922 15.396 1.00 0.00 C ATOM 408 OD1 ASP A 27 2.994 -6.749 16.391 1.00 0.00 O ATOM 409 OD2 ASP A 27 4.975 -6.961 15.463 1.00 0.00 O ATOM 0 H ASP A 27 3.531 -4.758 14.862 1.00 0.00 H new ATOM 0 HA ASP A 27 2.162 -5.847 12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.431 -7.973 14.058 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.843 -7.276 13.288 1.00 0.00 H new ATOM 414 N THR A 28 0.266 -4.814 14.546 1.00 0.00 N ATOM 415 CA THR A 28 -1.070 -4.767 15.125 1.00 0.00 C ATOM 416 C THR A 28 -2.079 -4.194 14.136 1.00 0.00 C ATOM 417 O THR A 28 -3.272 -4.489 14.211 1.00 0.00 O ATOM 418 CB THR A 28 -1.095 -3.923 16.414 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.547 -2.625 16.159 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.305 -4.604 17.522 1.00 0.00 C ATOM 0 H THR A 28 0.700 -3.901 14.413 1.00 0.00 H new ATOM 0 HA THR A 28 -1.345 -5.794 15.366 1.00 0.00 H new ATOM 0 HB THR A 28 -2.131 -3.823 16.737 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.568 -2.094 16.982 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.337 -3.990 18.422 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.742 -5.580 17.733 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.730 -4.731 17.206 1.00 0.00 H new ATOM 428 N CYS A 29 -1.592 -3.375 13.210 1.00 0.00 N ATOM 429 CA CYS A 29 -2.452 -2.760 12.205 1.00 0.00 C ATOM 430 C CYS A 29 -2.985 -3.807 11.232 1.00 0.00 C ATOM 431 O CYS A 29 -2.378 -4.862 11.043 1.00 0.00 O ATOM 432 CB CYS A 29 -1.686 -1.679 11.442 1.00 0.00 C ATOM 433 SG CYS A 29 -1.706 -0.057 12.240 1.00 0.00 S ATOM 0 H CYS A 29 -0.607 -3.122 13.134 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.299 -2.302 12.717 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.651 -1.999 11.320 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.110 -1.585 10.442 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.030 0.789 11.521 1.00 0.00 H new ATOM 439 N THR A 30 -4.125 -3.508 10.617 1.00 0.00 N ATOM 440 CA THR A 30 -4.742 -4.424 9.665 1.00 0.00 C ATOM 441 C THR A 30 -4.144 -4.255 8.273 1.00 0.00 C ATOM 442 O THR A 30 -3.777 -3.150 7.874 1.00 0.00 O ATOM 443 CB THR A 30 -6.265 -4.209 9.587 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.822 -4.159 10.905 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.929 -5.325 8.793 1.00 0.00 C ATOM 0 H THR A 30 -4.640 -2.639 10.761 1.00 0.00 H new ATOM 0 HA THR A 30 -4.543 -5.434 10.022 1.00 0.00 H new ATOM 0 HB THR A 30 -6.450 -3.262 9.079 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.790 -4.020 10.846 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.004 -5.152 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.525 -5.342 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.734 -6.282 9.277 1.00 0.00 H new ATOM 453 N VAL A 31 -4.049 -5.358 7.537 1.00 0.00 N ATOM 454 CA VAL A 31 -3.497 -5.332 6.188 1.00 0.00 C ATOM 455 C VAL A 31 -4.086 -4.184 5.376 1.00 0.00 C ATOM 456 O VAL A 31 -3.451 -3.671 4.456 1.00 0.00 O ATOM 457 CB VAL A 31 -3.759 -6.657 5.449 1.00 0.00 C ATOM 458 CG1 VAL A 31 -3.006 -7.798 6.115 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.251 -6.951 5.395 1.00 0.00 C ATOM 0 H VAL A 31 -4.347 -6.281 7.853 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.421 -5.188 6.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.394 -6.561 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.203 -8.726 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.937 -7.588 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.338 -7.898 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.418 -7.891 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.644 -7.028 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.762 -6.145 4.868 1.00 0.00 H new ATOM 469 N GLY A 32 -5.306 -3.785 5.723 1.00 0.00 N ATOM 470 CA GLY A 32 -5.961 -2.700 5.016 1.00 0.00 C ATOM 471 C GLY A 32 -5.268 -1.369 5.227 1.00 0.00 C ATOM 472 O GLY A 32 -5.197 -0.548 4.313 1.00 0.00 O ATOM 0 H GLY A 32 -5.852 -4.194 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.987 -2.928 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.996 -2.625 5.351 1.00 0.00 H new ATOM 476 N GLU A 33 -4.756 -1.155 6.435 1.00 0.00 N ATOM 477 CA GLU A 33 -4.067 0.088 6.763 1.00 0.00 C ATOM 478 C GLU A 33 -3.016 0.422 5.709 1.00 0.00 C ATOM 479 O GLU A 33 -3.083 1.465 5.058 1.00 0.00 O ATOM 480 CB GLU A 33 -3.410 -0.015 8.140 1.00 0.00 C ATOM 481 CG GLU A 33 -3.323 1.312 8.875 1.00 0.00 C ATOM 482 CD GLU A 33 -4.598 2.125 8.763 1.00 0.00 C ATOM 483 OE1 GLU A 33 -5.692 1.532 8.867 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.501 3.356 8.572 1.00 0.00 O ATOM 0 H GLU A 33 -4.805 -1.825 7.202 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.806 0.889 6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.973 -0.722 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.406 -0.423 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.106 1.127 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.491 1.891 8.475 1.00 0.00 H new ATOM 491 N ILE A 34 -2.045 -0.471 5.547 1.00 0.00 N ATOM 492 CA ILE A 34 -0.980 -0.272 4.572 1.00 0.00 C ATOM 493 C ILE A 34 -1.498 0.446 3.330 1.00 0.00 C ATOM 494 O ILE A 34 -0.849 1.352 2.807 1.00 0.00 O ATOM 495 CB ILE A 34 -0.346 -1.611 4.150 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.165 -2.368 5.378 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.784 -1.373 3.160 1.00 0.00 C ATOM 498 CD1 ILE A 34 0.841 -3.678 5.041 1.00 0.00 C ATOM 0 H ILE A 34 -1.974 -1.339 6.078 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.221 0.344 5.055 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.108 -2.219 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.868 -1.734 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.671 -2.562 6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.222 -2.328 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.393 -0.871 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.548 -0.749 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.178 -4.160 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.135 -4.330 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.698 -3.489 4.394 1.00 0.00 H new ATOM 510 N LYS A 35 -2.672 0.036 2.864 1.00 0.00 N ATOM 511 CA LYS A 35 -3.281 0.642 1.685 1.00 0.00 C ATOM 512 C LYS A 35 -3.487 2.139 1.888 1.00 0.00 C ATOM 513 O LYS A 35 -2.898 2.957 1.182 1.00 0.00 O ATOM 514 CB LYS A 35 -4.620 -0.031 1.375 1.00 0.00 C ATOM 515 CG LYS A 35 -4.507 -1.525 1.124 1.00 0.00 C ATOM 516 CD LYS A 35 -5.764 -2.078 0.475 1.00 0.00 C ATOM 517 CE LYS A 35 -5.682 -2.016 -1.042 1.00 0.00 C ATOM 518 NZ LYS A 35 -7.024 -1.850 -1.665 1.00 0.00 N ATOM 0 H LYS A 35 -3.222 -0.714 3.284 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.605 0.498 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.303 0.138 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.061 0.444 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.648 -1.723 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.326 -2.041 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.913 -3.111 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.630 -1.512 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.040 -1.186 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.218 -2.928 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.400 -2.782 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.669 -1.399 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.942 -1.253 -2.513 1.00 0.00 H new ATOM 532 N GLN A 36 -4.326 2.491 2.857 1.00 0.00 N ATOM 533 CA GLN A 36 -4.608 3.891 3.152 1.00 0.00 C ATOM 534 C GLN A 36 -3.323 4.652 3.461 1.00 0.00 C ATOM 535 O GLN A 36 -3.176 5.817 3.089 1.00 0.00 O ATOM 536 CB GLN A 36 -5.576 4.000 4.332 1.00 0.00 C ATOM 537 CG GLN A 36 -5.947 5.432 4.684 1.00 0.00 C ATOM 538 CD GLN A 36 -7.338 5.545 5.278 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.514 6.065 6.380 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.335 5.057 4.549 1.00 0.00 N ATOM 0 H GLN A 36 -4.822 1.826 3.451 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.069 4.336 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.485 3.445 4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.127 3.525 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.220 5.828 5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.887 6.050 3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.143 4.634 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.292 5.105 4.897 1.00 0.00 H new ATOM 549 N ILE A 37 -2.397 3.987 4.142 1.00 0.00 N ATOM 550 CA ILE A 37 -1.124 4.601 4.500 1.00 0.00 C ATOM 551 C ILE A 37 -0.392 5.109 3.262 1.00 0.00 C ATOM 552 O ILE A 37 0.152 6.214 3.260 1.00 0.00 O ATOM 553 CB ILE A 37 -0.213 3.612 5.251 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.859 3.193 6.573 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.154 4.233 5.496 1.00 0.00 C ATOM 556 CD1 ILE A 37 -0.288 1.915 7.146 1.00 0.00 C ATOM 0 H ILE A 37 -2.504 3.023 4.457 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.352 5.441 5.156 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.081 2.722 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.733 3.995 7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.931 3.066 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.787 3.522 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.615 4.486 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.041 5.137 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.793 1.679 8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.437 1.100 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.778 2.044 7.331 1.00 0.00 H new ATOM 568 N LEU A 38 -0.385 4.297 2.211 1.00 0.00 N ATOM 569 CA LEU A 38 0.279 4.666 0.965 1.00 0.00 C ATOM 570 C LEU A 38 -0.304 5.956 0.398 1.00 0.00 C ATOM 571 O LEU A 38 0.358 6.669 -0.354 1.00 0.00 O ATOM 572 CB LEU A 38 0.143 3.538 -0.060 1.00 0.00 C ATOM 573 CG LEU A 38 1.034 2.316 0.165 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.648 1.192 -0.785 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.500 2.685 -0.009 1.00 0.00 C ATOM 0 H LEU A 38 -0.831 3.380 2.196 1.00 0.00 H new ATOM 0 HA LEU A 38 1.335 4.830 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.896 3.208 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.360 3.944 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 38 0.888 1.966 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.293 0.331 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.390 0.909 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.765 1.530 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.119 1.803 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.663 3.060 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.769 3.456 0.713 1.00 0.00 H new ATOM 587 N GLU A 39 -1.547 6.250 0.767 1.00 0.00 N ATOM 588 CA GLU A 39 -2.218 7.456 0.296 1.00 0.00 C ATOM 589 C GLU A 39 -1.717 8.686 1.048 1.00 0.00 C ATOM 590 O GLU A 39 -1.993 9.820 0.657 1.00 0.00 O ATOM 591 CB GLU A 39 -3.733 7.323 0.466 1.00 0.00 C ATOM 592 CG GLU A 39 -4.520 8.440 -0.199 1.00 0.00 C ATOM 593 CD GLU A 39 -6.019 8.256 -0.066 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.491 7.109 -0.220 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.721 9.256 0.190 1.00 0.00 O ATOM 0 H GLU A 39 -2.109 5.670 1.390 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.988 7.579 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.054 6.367 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.971 7.306 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.234 9.394 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.256 8.487 -1.255 1.00 0.00 H new ATOM 602 N ASN A 40 -0.981 8.452 2.129 1.00 0.00 N ATOM 603 CA ASN A 40 -0.442 9.541 2.937 1.00 0.00 C ATOM 604 C ASN A 40 0.995 9.858 2.534 1.00 0.00 C ATOM 605 O ASN A 40 1.569 10.850 2.979 1.00 0.00 O ATOM 606 CB ASN A 40 -0.499 9.177 4.422 1.00 0.00 C ATOM 607 CG ASN A 40 -1.914 9.197 4.969 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.431 10.249 5.345 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.546 8.030 5.015 1.00 0.00 N ATOM 0 H ASN A 40 -0.744 7.519 2.466 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.053 10.427 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.070 8.185 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.116 9.876 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.500 7.980 5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.078 7.183 4.692 1.00 0.00 H new ATOM 616 N GLU A 41 1.568 9.007 1.688 1.00 0.00 N ATOM 617 CA GLU A 41 2.938 9.197 1.226 1.00 0.00 C ATOM 618 C GLU A 41 2.980 9.380 -0.288 1.00 0.00 C ATOM 619 O GLU A 41 3.738 10.203 -0.804 1.00 0.00 O ATOM 620 CB GLU A 41 3.806 8.004 1.631 1.00 0.00 C ATOM 621 CG GLU A 41 3.981 7.860 3.133 1.00 0.00 C ATOM 622 CD GLU A 41 4.859 8.946 3.725 1.00 0.00 C ATOM 623 OE1 GLU A 41 4.425 10.116 3.743 1.00 0.00 O ATOM 624 OE2 GLU A 41 5.980 8.623 4.172 1.00 0.00 O ATOM 0 H GLU A 41 1.105 8.181 1.309 1.00 0.00 H new ATOM 0 HA GLU A 41 3.331 10.099 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.360 7.091 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.787 8.106 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.003 7.887 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.417 6.885 3.352 1.00 0.00 H new ATOM 631 N LEU A 42 2.162 8.608 -0.995 1.00 0.00 N ATOM 632 CA LEU A 42 2.106 8.684 -2.451 1.00 0.00 C ATOM 633 C LEU A 42 0.882 9.471 -2.908 1.00 0.00 C ATOM 634 O LEU A 42 0.727 9.762 -4.093 1.00 0.00 O ATOM 635 CB LEU A 42 2.076 7.278 -3.053 1.00 0.00 C ATOM 636 CG LEU A 42 3.258 6.373 -2.703 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.917 4.918 -2.984 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.498 6.791 -3.479 1.00 0.00 C ATOM 0 H LEU A 42 1.529 7.922 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 42 2.999 9.203 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.159 6.786 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.023 7.370 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 42 3.468 6.477 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.770 4.289 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.056 4.624 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.680 4.797 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.329 6.136 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.300 6.717 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.754 7.820 -3.228 1.00 0.00 H new ATOM 650 N GLN A 43 0.017 9.815 -1.958 1.00 0.00 N ATOM 651 CA GLN A 43 -1.192 10.570 -2.264 1.00 0.00 C ATOM 652 C GLN A 43 -2.049 9.834 -3.289 1.00 0.00 C ATOM 653 O GLN A 43 -2.698 10.456 -4.131 1.00 0.00 O ATOM 654 CB GLN A 43 -0.831 11.961 -2.789 1.00 0.00 C ATOM 655 CG GLN A 43 -0.325 12.905 -1.710 1.00 0.00 C ATOM 656 CD GLN A 43 1.179 12.835 -1.531 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.922 13.627 -2.113 1.00 0.00 O ATOM 658 NE2 GLN A 43 1.636 11.885 -0.724 1.00 0.00 N ATOM 0 H GLN A 43 0.131 9.583 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.767 10.674 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.068 11.862 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.709 12.401 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.610 13.926 -1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.811 12.664 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.984 11.251 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.639 11.789 -0.566 1.00 0.00 H new ATOM 667 N ILE A 44 -2.045 8.508 -3.213 1.00 0.00 N ATOM 668 CA ILE A 44 -2.823 7.688 -4.133 1.00 0.00 C ATOM 669 C ILE A 44 -4.030 7.071 -3.435 1.00 0.00 C ATOM 670 O ILE A 44 -3.942 6.574 -2.312 1.00 0.00 O ATOM 671 CB ILE A 44 -1.968 6.563 -4.745 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.656 7.129 -5.292 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.741 5.847 -5.843 1.00 0.00 C ATOM 674 CD1 ILE A 44 0.289 6.069 -5.814 1.00 0.00 C ATOM 0 H ILE A 44 -1.512 7.978 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.166 8.348 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.732 5.841 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.880 7.832 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.157 7.693 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.123 5.055 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.650 5.414 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.004 6.558 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.198 6.543 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.543 5.379 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.191 5.520 -6.624 1.00 0.00 H new ATOM 686 N PRO A 45 -5.187 7.102 -4.114 1.00 0.00 N ATOM 687 CA PRO A 45 -6.434 6.548 -3.579 1.00 0.00 C ATOM 688 C PRO A 45 -6.406 5.025 -3.503 1.00 0.00 C ATOM 689 O PRO A 45 -6.250 4.345 -4.517 1.00 0.00 O ATOM 690 CB PRO A 45 -7.489 7.014 -4.586 1.00 0.00 C ATOM 691 CG PRO A 45 -6.738 7.214 -5.856 1.00 0.00 C ATOM 692 CD PRO A 45 -5.365 7.679 -5.457 1.00 0.00 C ATOM 0 HA PRO A 45 -6.623 6.880 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.278 6.271 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.967 7.937 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.685 6.288 -6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.231 7.952 -6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.603 7.324 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.298 8.767 -5.439 1.00 0.00 H new ATOM 700 N VAL A 46 -6.560 4.495 -2.293 1.00 0.00 N ATOM 701 CA VAL A 46 -6.554 3.052 -2.084 1.00 0.00 C ATOM 702 C VAL A 46 -7.433 2.345 -3.110 1.00 0.00 C ATOM 703 O VAL A 46 -7.239 1.165 -3.400 1.00 0.00 O ATOM 704 CB VAL A 46 -7.040 2.688 -0.669 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.095 1.178 -0.495 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.141 3.321 0.382 1.00 0.00 C ATOM 0 H VAL A 46 -6.690 5.044 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.523 2.719 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.048 3.082 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.441 0.940 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.783 0.752 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.101 0.758 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.499 3.053 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.121 2.959 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.158 4.405 0.270 1.00 0.00 H new ATOM 716 N SER A 47 -8.400 3.075 -3.655 1.00 0.00 N ATOM 717 CA SER A 47 -9.313 2.517 -4.647 1.00 0.00 C ATOM 718 C SER A 47 -8.570 2.166 -5.932 1.00 0.00 C ATOM 719 O SER A 47 -8.755 1.087 -6.495 1.00 0.00 O ATOM 720 CB SER A 47 -10.438 3.508 -4.950 1.00 0.00 C ATOM 721 OG SER A 47 -11.451 3.448 -3.961 1.00 0.00 O ATOM 0 H SER A 47 -8.572 4.054 -3.427 1.00 0.00 H new ATOM 0 HA SER A 47 -9.743 1.604 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.033 4.519 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.867 3.288 -5.928 1.00 0.00 H new ATOM 0 HG SER A 47 -12.157 4.092 -4.177 1.00 0.00 H new ATOM 727 N LYS A 48 -7.727 3.085 -6.391 1.00 0.00 N ATOM 728 CA LYS A 48 -6.953 2.874 -7.608 1.00 0.00 C ATOM 729 C LYS A 48 -5.768 1.950 -7.347 1.00 0.00 C ATOM 730 O LYS A 48 -5.266 1.295 -8.260 1.00 0.00 O ATOM 731 CB LYS A 48 -6.458 4.213 -8.160 1.00 0.00 C ATOM 732 CG LYS A 48 -7.573 5.203 -8.446 1.00 0.00 C ATOM 733 CD LYS A 48 -8.103 5.053 -9.863 1.00 0.00 C ATOM 734 CE LYS A 48 -9.434 5.768 -10.038 1.00 0.00 C ATOM 735 NZ LYS A 48 -10.027 5.514 -11.381 1.00 0.00 N ATOM 0 H LYS A 48 -7.563 3.984 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.603 2.402 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.764 4.657 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.899 4.033 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.385 5.053 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.205 6.219 -8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.377 5.456 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.223 3.995 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.128 5.437 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.291 6.840 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.933 6.018 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.376 5.853 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.187 4.494 -11.503 1.00 0.00 H new ATOM 749 N MET A 49 -5.326 1.902 -6.094 1.00 0.00 N ATOM 750 CA MET A 49 -4.201 1.056 -5.713 1.00 0.00 C ATOM 751 C MET A 49 -4.666 -0.367 -5.420 1.00 0.00 C ATOM 752 O MET A 49 -5.784 -0.581 -4.950 1.00 0.00 O ATOM 753 CB MET A 49 -3.491 1.635 -4.488 1.00 0.00 C ATOM 754 CG MET A 49 -2.621 2.841 -4.804 1.00 0.00 C ATOM 755 SD MET A 49 -1.334 3.111 -3.570 1.00 0.00 S ATOM 756 CE MET A 49 -2.254 3.986 -2.307 1.00 0.00 C ATOM 0 H MET A 49 -5.730 2.439 -5.326 1.00 0.00 H new ATOM 0 HA MET A 49 -3.502 1.027 -6.549 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.237 1.920 -3.746 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.873 0.859 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.159 2.705 -5.782 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.249 3.730 -4.869 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.672 4.839 -1.958 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.199 4.337 -2.722 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.452 3.315 -1.471 1.00 0.00 H new ATOM 766 N LEU A 50 -3.802 -1.337 -5.701 1.00 0.00 N ATOM 767 CA LEU A 50 -4.125 -2.740 -5.468 1.00 0.00 C ATOM 768 C LEU A 50 -3.012 -3.432 -4.687 1.00 0.00 C ATOM 769 O LEU A 50 -1.989 -3.818 -5.254 1.00 0.00 O ATOM 770 CB LEU A 50 -4.354 -3.459 -6.798 1.00 0.00 C ATOM 771 CG LEU A 50 -5.356 -2.807 -7.750 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.323 -3.487 -9.110 1.00 0.00 C ATOM 773 CD2 LEU A 50 -6.759 -2.855 -7.163 1.00 0.00 C ATOM 0 H LEU A 50 -2.873 -1.177 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.040 -2.784 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.397 -3.543 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.692 -4.473 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.074 -1.763 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.043 -3.009 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.324 -3.400 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.579 -4.541 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.459 -2.386 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.050 -3.893 -7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.775 -2.320 -6.213 1.00 0.00 H new ATOM 785 N LEU A 51 -3.219 -3.588 -3.384 1.00 0.00 N ATOM 786 CA LEU A 51 -2.234 -4.236 -2.525 1.00 0.00 C ATOM 787 C LEU A 51 -2.005 -5.682 -2.955 1.00 0.00 C ATOM 788 O LEU A 51 -2.903 -6.518 -2.864 1.00 0.00 O ATOM 789 CB LEU A 51 -2.693 -4.192 -1.067 1.00 0.00 C ATOM 790 CG LEU A 51 -1.584 -4.154 -0.015 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.619 -5.313 -0.214 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.843 -2.826 -0.069 1.00 0.00 C ATOM 0 H LEU A 51 -4.060 -3.275 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.293 -3.695 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.324 -3.314 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.317 -5.065 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.041 -4.253 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.163 -5.269 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.159 -6.256 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.169 -5.246 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.057 -2.817 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.399 -2.697 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.541 -2.012 0.124 1.00 0.00 H new ATOM 804 N LYS A 52 -0.794 -5.970 -3.421 1.00 0.00 N ATOM 805 CA LYS A 52 -0.444 -7.315 -3.862 1.00 0.00 C ATOM 806 C LYS A 52 0.929 -7.720 -3.333 1.00 0.00 C ATOM 807 O LYS A 52 1.626 -6.919 -2.712 1.00 0.00 O ATOM 808 CB LYS A 52 -0.457 -7.393 -5.390 1.00 0.00 C ATOM 809 CG LYS A 52 -1.850 -7.316 -5.990 1.00 0.00 C ATOM 810 CD LYS A 52 -1.849 -7.722 -7.455 1.00 0.00 C ATOM 811 CE LYS A 52 -3.247 -7.655 -8.052 1.00 0.00 C ATOM 812 NZ LYS A 52 -3.288 -8.222 -9.429 1.00 0.00 N ATOM 0 H LYS A 52 -0.039 -5.290 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.187 -8.006 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.148 -6.581 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.013 -8.326 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.524 -7.966 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.233 -6.300 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.181 -7.067 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.458 -8.735 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.942 -8.201 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.583 -6.618 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.257 -8.158 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.644 -7.685 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.992 -9.219 -9.403 1.00 0.00 H new ATOM 826 N GLY A 53 1.311 -8.968 -3.586 1.00 0.00 N ATOM 827 CA GLY A 53 2.599 -9.456 -3.130 1.00 0.00 C ATOM 828 C GLY A 53 2.469 -10.578 -2.119 1.00 0.00 C ATOM 829 O GLY A 53 3.288 -11.497 -2.093 1.00 0.00 O ATOM 0 H GLY A 53 0.751 -9.650 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.175 -9.807 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.159 -8.633 -2.685 1.00 0.00 H new ATOM 833 N TRP A 54 1.440 -10.502 -1.283 1.00 0.00 N ATOM 834 CA TRP A 54 1.207 -11.519 -0.264 1.00 0.00 C ATOM 835 C TRP A 54 1.630 -12.896 -0.762 1.00 0.00 C ATOM 836 O TRP A 54 1.343 -13.272 -1.898 1.00 0.00 O ATOM 837 CB TRP A 54 -0.269 -11.539 0.138 1.00 0.00 C ATOM 838 CG TRP A 54 -0.780 -10.205 0.590 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.661 -9.398 -0.070 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.439 -9.523 1.802 1.00 0.00 C ATOM 841 NE1 TRP A 54 -1.888 -8.255 0.658 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.151 -8.307 1.811 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.397 -9.821 2.881 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.050 -7.393 2.856 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.497 -8.913 3.918 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.224 -7.711 3.900 1.00 0.00 C ATOM 0 H TRP A 54 0.754 -9.747 -1.291 1.00 0.00 H new ATOM 0 HA TRP A 54 1.810 -11.268 0.608 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.864 -11.880 -0.709 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.410 -12.264 0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.113 -9.625 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.506 -7.491 0.384 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.956 -10.745 2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.604 -6.466 2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.141 -9.133 4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.126 -7.022 4.726 1.00 0.00 H new ATOM 857 N LYS A 55 2.315 -13.646 0.095 1.00 0.00 N ATOM 858 CA LYS A 55 2.777 -14.983 -0.256 1.00 0.00 C ATOM 859 C LYS A 55 1.599 -15.903 -0.562 1.00 0.00 C ATOM 860 O LYS A 55 1.566 -16.563 -1.601 1.00 0.00 O ATOM 861 CB LYS A 55 3.616 -15.571 0.881 1.00 0.00 C ATOM 862 CG LYS A 55 4.961 -14.888 1.060 1.00 0.00 C ATOM 863 CD LYS A 55 5.983 -15.397 0.058 1.00 0.00 C ATOM 864 CE LYS A 55 7.395 -15.329 0.618 1.00 0.00 C ATOM 865 NZ LYS A 55 7.688 -16.474 1.524 1.00 0.00 N ATOM 0 H LYS A 55 2.563 -13.349 1.039 1.00 0.00 H new ATOM 0 HA LYS A 55 3.395 -14.903 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.054 -15.497 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.779 -16.632 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.841 -13.811 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.326 -15.061 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.747 -16.426 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.924 -14.806 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.112 -15.323 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.526 -14.393 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.660 -16.391 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.021 -16.465 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.589 -17.366 0.999 1.00 0.00 H new ATOM 879 N THR A 56 0.633 -15.942 0.350 1.00 0.00 N ATOM 880 CA THR A 56 -0.547 -16.780 0.179 1.00 0.00 C ATOM 881 C THR A 56 -1.611 -16.069 -0.650 1.00 0.00 C ATOM 882 O THR A 56 -2.236 -15.115 -0.189 1.00 0.00 O ATOM 883 CB THR A 56 -1.153 -17.182 1.537 1.00 0.00 C ATOM 884 OG1 THR A 56 -2.317 -17.992 1.333 1.00 0.00 O ATOM 885 CG2 THR A 56 -1.523 -15.950 2.350 1.00 0.00 C ATOM 0 H THR A 56 0.645 -15.402 1.215 1.00 0.00 H new ATOM 0 HA THR A 56 -0.223 -17.679 -0.345 1.00 0.00 H new ATOM 0 HB THR A 56 -0.406 -17.752 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.696 -18.245 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.949 -16.259 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.631 -15.350 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.255 -15.358 1.801 1.00 0.00 H new ATOM 893 N GLY A 57 -1.813 -16.541 -1.876 1.00 0.00 N ATOM 894 CA GLY A 57 -2.803 -15.939 -2.750 1.00 0.00 C ATOM 895 C GLY A 57 -2.923 -14.442 -2.544 1.00 0.00 C ATOM 896 O GLY A 57 -1.932 -13.716 -2.626 1.00 0.00 O ATOM 0 H GLY A 57 -1.308 -17.330 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.537 -16.140 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.772 -16.406 -2.573 1.00 0.00 H new ATOM 900 N ASP A 58 -4.139 -13.979 -2.278 1.00 0.00 N ATOM 901 CA ASP A 58 -4.386 -12.558 -2.060 1.00 0.00 C ATOM 902 C ASP A 58 -5.060 -12.323 -0.712 1.00 0.00 C ATOM 903 O ASP A 58 -6.215 -12.701 -0.510 1.00 0.00 O ATOM 904 CB ASP A 58 -5.254 -11.991 -3.185 1.00 0.00 C ATOM 905 CG ASP A 58 -4.665 -12.249 -4.557 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.849 -11.423 -5.017 1.00 0.00 O ATOM 907 OD2 ASP A 58 -5.020 -13.276 -5.173 1.00 0.00 O ATOM 0 H ASP A 58 -4.970 -14.567 -2.208 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.425 -12.044 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.249 -12.434 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.375 -10.917 -3.041 1.00 0.00 H new ATOM 912 N VAL A 59 -4.332 -11.698 0.208 1.00 0.00 N ATOM 913 CA VAL A 59 -4.860 -11.413 1.537 1.00 0.00 C ATOM 914 C VAL A 59 -5.974 -10.374 1.474 1.00 0.00 C ATOM 915 O VAL A 59 -5.961 -9.488 0.621 1.00 0.00 O ATOM 916 CB VAL A 59 -3.755 -10.909 2.483 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.351 -10.455 3.807 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.708 -11.991 2.704 1.00 0.00 C ATOM 0 H VAL A 59 -3.375 -11.379 0.057 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.262 -12.349 1.926 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.267 -10.052 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.555 -10.102 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.059 -9.646 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.866 -11.291 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.935 -11.617 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.179 -12.869 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.259 -12.263 1.749 1.00 0.00 H new ATOM 928 N GLU A 60 -6.935 -10.489 2.385 1.00 0.00 N ATOM 929 CA GLU A 60 -8.057 -9.559 2.433 1.00 0.00 C ATOM 930 C GLU A 60 -7.829 -8.487 3.495 1.00 0.00 C ATOM 931 O GLU A 60 -7.249 -8.753 4.547 1.00 0.00 O ATOM 932 CB GLU A 60 -9.359 -10.310 2.721 1.00 0.00 C ATOM 933 CG GLU A 60 -9.322 -11.122 4.005 1.00 0.00 C ATOM 934 CD GLU A 60 -10.547 -12.000 4.175 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.665 -11.518 3.898 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.386 -13.168 4.586 1.00 0.00 O ATOM 0 H GLU A 60 -6.959 -11.217 3.099 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.135 -9.072 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.177 -9.592 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.577 -10.976 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.428 -11.746 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.243 -10.446 4.856 1.00 0.00 H new ATOM 943 N ASP A 61 -8.291 -7.274 3.210 1.00 0.00 N ATOM 944 CA ASP A 61 -8.139 -6.161 4.140 1.00 0.00 C ATOM 945 C ASP A 61 -8.639 -6.541 5.530 1.00 0.00 C ATOM 946 O ASP A 61 -8.299 -5.896 6.521 1.00 0.00 O ATOM 947 CB ASP A 61 -8.897 -4.935 3.629 1.00 0.00 C ATOM 948 CG ASP A 61 -10.389 -5.181 3.519 1.00 0.00 C ATOM 949 OD1 ASP A 61 -10.800 -5.940 2.617 1.00 0.00 O ATOM 950 OD2 ASP A 61 -11.145 -4.615 4.336 1.00 0.00 O ATOM 0 H ASP A 61 -8.773 -7.037 2.343 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.078 -5.920 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.719 -4.095 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.506 -4.651 2.652 1.00 0.00 H new ATOM 955 N SER A 62 -9.451 -7.592 5.594 1.00 0.00 N ATOM 956 CA SER A 62 -10.003 -8.055 6.862 1.00 0.00 C ATOM 957 C SER A 62 -9.005 -8.946 7.595 1.00 0.00 C ATOM 958 O SER A 62 -9.371 -9.690 8.507 1.00 0.00 O ATOM 959 CB SER A 62 -11.308 -8.818 6.625 1.00 0.00 C ATOM 960 OG SER A 62 -11.053 -10.135 6.167 1.00 0.00 O ATOM 0 H SER A 62 -9.741 -8.138 4.783 1.00 0.00 H new ATOM 0 HA SER A 62 -10.208 -7.182 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.884 -8.856 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.916 -8.286 5.893 1.00 0.00 H new ATOM 0 HG SER A 62 -11.903 -10.602 6.025 1.00 0.00 H new ATOM 966 N THR A 63 -7.741 -8.867 7.191 1.00 0.00 N ATOM 967 CA THR A 63 -6.690 -9.666 7.807 1.00 0.00 C ATOM 968 C THR A 63 -5.715 -8.787 8.583 1.00 0.00 C ATOM 969 O THR A 63 -5.491 -7.629 8.230 1.00 0.00 O ATOM 970 CB THR A 63 -5.909 -10.474 6.754 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.787 -11.389 6.089 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.765 -11.241 7.401 1.00 0.00 C ATOM 0 H THR A 63 -7.421 -8.257 6.439 1.00 0.00 H new ATOM 0 HA THR A 63 -7.179 -10.356 8.494 1.00 0.00 H new ATOM 0 HB THR A 63 -5.493 -9.776 6.027 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.282 -12.180 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.227 -11.804 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.083 -10.540 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.164 -11.929 8.147 1.00 0.00 H new ATOM 980 N VAL A 64 -5.135 -9.345 9.641 1.00 0.00 N ATOM 981 CA VAL A 64 -4.182 -8.613 10.466 1.00 0.00 C ATOM 982 C VAL A 64 -2.760 -9.114 10.239 1.00 0.00 C ATOM 983 O VAL A 64 -2.530 -10.315 10.092 1.00 0.00 O ATOM 984 CB VAL A 64 -4.525 -8.734 11.962 1.00 0.00 C ATOM 985 CG1 VAL A 64 -4.361 -10.171 12.433 1.00 0.00 C ATOM 986 CG2 VAL A 64 -3.660 -7.792 12.785 1.00 0.00 C ATOM 0 H VAL A 64 -5.309 -10.302 9.947 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.247 -7.566 10.170 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.567 -8.448 12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.608 -10.237 13.493 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.028 -10.819 11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.330 -10.488 12.280 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.916 -7.891 13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.609 -8.044 12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.834 -6.765 12.464 1.00 0.00 H new ATOM 996 N LEU A 65 -1.809 -8.187 10.213 1.00 0.00 N ATOM 997 CA LEU A 65 -0.408 -8.535 10.005 1.00 0.00 C ATOM 998 C LEU A 65 0.006 -9.692 10.908 1.00 0.00 C ATOM 999 O LEU A 65 0.405 -10.754 10.431 1.00 0.00 O ATOM 1000 CB LEU A 65 0.484 -7.321 10.272 1.00 0.00 C ATOM 1001 CG LEU A 65 0.228 -6.095 9.394 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.569 -4.818 10.148 1.00 0.00 C ATOM 1003 CD2 LEU A 65 1.031 -6.185 8.105 1.00 0.00 C ATOM 0 H LEU A 65 -1.982 -7.189 10.333 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.287 -8.847 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.363 -7.028 11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.523 -7.624 10.145 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.831 -6.070 9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.381 -3.956 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.050 -4.748 11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.621 -4.834 10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.836 -5.304 7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.094 -6.235 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.739 -7.080 7.556 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.093 -9.480 12.216 1.00 0.00 N ATOM 1016 CA LYS A 66 0.267 -10.506 13.188 1.00 0.00 C ATOM 1017 C LYS A 66 -0.193 -11.883 12.721 1.00 0.00 C ATOM 1018 O LYS A 66 0.377 -12.903 13.108 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.350 -10.185 14.551 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.725 -10.796 14.755 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.579 -9.951 15.685 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.156 -10.117 17.136 1.00 0.00 C ATOM 1023 NZ LYS A 66 -3.245 -9.739 18.079 1.00 0.00 N ATOM 0 H LYS A 66 -0.420 -8.606 12.628 1.00 0.00 H new ATOM 0 HA LYS A 66 1.353 -10.518 13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.317 -10.542 15.336 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.422 -9.103 14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.225 -10.897 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.621 -11.800 15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.500 -8.902 15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.626 -10.233 15.576 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.866 -11.153 17.313 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.277 -9.502 17.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.917 -9.866 19.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.505 -8.743 17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.075 -10.343 17.911 1.00 0.00 H new ATOM 1037 N SER A 67 -1.227 -11.905 11.886 1.00 0.00 N ATOM 1038 CA SER A 67 -1.765 -13.157 11.368 1.00 0.00 C ATOM 1039 C SER A 67 -0.796 -13.797 10.378 1.00 0.00 C ATOM 1040 O SER A 67 -0.544 -15.001 10.428 1.00 0.00 O ATOM 1041 CB SER A 67 -3.117 -12.916 10.693 1.00 0.00 C ATOM 1042 OG SER A 67 -3.811 -14.135 10.493 1.00 0.00 O ATOM 0 H SER A 67 -1.709 -11.070 11.554 1.00 0.00 H new ATOM 0 HA SER A 67 -1.903 -13.839 12.207 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.720 -12.247 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.965 -12.419 9.735 1.00 0.00 H new ATOM 0 HG SER A 67 -4.672 -13.954 10.062 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.256 -12.982 9.479 1.00 0.00 N ATOM 1049 CA LEU A 68 0.686 -13.466 8.476 1.00 0.00 C ATOM 1050 C LEU A 68 2.110 -13.472 9.024 1.00 0.00 C ATOM 1051 O LEU A 68 3.015 -14.051 8.423 1.00 0.00 O ATOM 1052 CB LEU A 68 0.615 -12.596 7.219 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.700 -12.649 6.440 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.782 -11.496 5.452 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -0.839 -13.982 5.719 1.00 0.00 C ATOM 0 H LEU A 68 -0.454 -11.983 9.424 1.00 0.00 H new ATOM 0 HA LEU A 68 0.411 -14.489 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.803 -11.561 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.423 -12.893 6.550 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.523 -12.553 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.724 -11.550 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.729 -10.550 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.048 -11.560 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.780 -14.002 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.010 -14.107 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.826 -14.793 6.447 1.00 0.00 H new ATOM 1067 N HIS A 69 2.300 -12.825 10.169 1.00 0.00 N ATOM 1068 CA HIS A 69 3.614 -12.758 10.800 1.00 0.00 C ATOM 1069 C HIS A 69 4.698 -12.464 9.768 1.00 0.00 C ATOM 1070 O HIS A 69 5.673 -13.207 9.648 1.00 0.00 O ATOM 1071 CB HIS A 69 3.923 -14.070 11.523 1.00 0.00 C ATOM 1072 CG HIS A 69 3.005 -14.352 12.672 1.00 0.00 C ATOM 1073 ND1 HIS A 69 2.972 -13.582 13.815 1.00 0.00 N ATOM 1074 CD2 HIS A 69 2.082 -15.326 12.849 1.00 0.00 C ATOM 1075 CE1 HIS A 69 2.069 -14.070 14.647 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.514 -15.129 14.084 1.00 0.00 N ATOM 0 H HIS A 69 1.562 -12.340 10.679 1.00 0.00 H new ATOM 0 HA HIS A 69 3.600 -11.946 11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.861 -14.892 10.809 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.950 -14.041 11.888 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.838 -16.112 12.149 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.826 -13.671 15.621 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.783 -15.706 14.499 1.00 0.00 H new ATOM 1085 N LEU A 70 4.521 -11.377 9.025 1.00 0.00 N ATOM 1086 CA LEU A 70 5.484 -10.985 8.002 1.00 0.00 C ATOM 1087 C LEU A 70 6.896 -10.926 8.577 1.00 0.00 C ATOM 1088 O LEU A 70 7.105 -10.576 9.739 1.00 0.00 O ATOM 1089 CB LEU A 70 5.105 -9.626 7.411 1.00 0.00 C ATOM 1090 CG LEU A 70 3.915 -9.621 6.451 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.216 -10.464 5.222 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.662 -10.125 7.153 1.00 0.00 C ATOM 0 H LEU A 70 3.720 -10.752 9.112 1.00 0.00 H new ATOM 0 HA LEU A 70 5.464 -11.736 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.887 -8.943 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.972 -9.226 6.885 1.00 0.00 H new ATOM 0 HG LEU A 70 3.738 -8.595 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.357 -10.448 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.087 -10.058 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.420 -11.491 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.825 -10.115 6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.827 -11.143 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.435 -9.479 8.001 1.00 0.00 H new ATOM 1104 N PRO A 71 7.889 -11.273 7.745 1.00 0.00 N ATOM 1105 CA PRO A 71 9.299 -11.265 8.148 1.00 0.00 C ATOM 1106 C PRO A 71 9.834 -9.853 8.355 1.00 0.00 C ATOM 1107 O PRO A 71 9.306 -8.890 7.799 1.00 0.00 O ATOM 1108 CB PRO A 71 10.008 -11.939 6.971 1.00 0.00 C ATOM 1109 CG PRO A 71 9.115 -11.700 5.803 1.00 0.00 C ATOM 1110 CD PRO A 71 7.713 -11.700 6.347 1.00 0.00 C ATOM 0 HA PRO A 71 9.454 -11.770 9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.997 -11.511 6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.148 -13.005 7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.347 -10.750 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.241 -12.478 5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.068 -11.015 5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.257 -12.688 6.283 1.00 0.00 H new ATOM 1118 N LYS A 72 10.886 -9.736 9.158 1.00 0.00 N ATOM 1119 CA LYS A 72 11.496 -8.441 9.438 1.00 0.00 C ATOM 1120 C LYS A 72 11.550 -7.582 8.179 1.00 0.00 C ATOM 1121 O LYS A 72 11.078 -6.445 8.171 1.00 0.00 O ATOM 1122 CB LYS A 72 12.906 -8.629 10.001 1.00 0.00 C ATOM 1123 CG LYS A 72 13.490 -7.367 10.613 1.00 0.00 C ATOM 1124 CD LYS A 72 14.894 -7.603 11.144 1.00 0.00 C ATOM 1125 CE LYS A 72 15.388 -6.418 11.960 1.00 0.00 C ATOM 1126 NZ LYS A 72 15.788 -5.276 11.092 1.00 0.00 N ATOM 0 H LYS A 72 11.334 -10.523 9.627 1.00 0.00 H new ATOM 0 HA LYS A 72 10.881 -7.930 10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.884 -9.413 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.564 -8.974 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.511 -6.575 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.847 -7.023 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.904 -8.501 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.574 -7.781 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.604 -6.096 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.237 -6.726 12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.119 -4.488 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.554 -5.575 10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.971 -4.966 10.528 1.00 0.00 H new ATOM 1140 N ASN A 73 12.127 -8.133 7.116 1.00 0.00 N ATOM 1141 CA ASN A 73 12.241 -7.417 5.850 1.00 0.00 C ATOM 1142 C ASN A 73 11.106 -7.798 4.905 1.00 0.00 C ATOM 1143 O ASN A 73 10.976 -8.956 4.511 1.00 0.00 O ATOM 1144 CB ASN A 73 13.590 -7.714 5.192 1.00 0.00 C ATOM 1145 CG ASN A 73 13.697 -9.150 4.716 1.00 0.00 C ATOM 1146 OD1 ASN A 73 13.957 -10.059 5.504 1.00 0.00 O ATOM 1147 ND2 ASN A 73 13.495 -9.360 3.421 1.00 0.00 N ATOM 0 H ASN A 73 12.523 -9.073 7.106 1.00 0.00 H new ATOM 0 HA ASN A 73 12.173 -6.349 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.734 -7.042 4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.391 -7.509 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.553 -10.305 3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.282 -8.576 2.804 1.00 0.00 H new ATOM 1154 N ASN A 74 10.287 -6.815 4.545 1.00 0.00 N ATOM 1155 CA ASN A 74 9.163 -7.047 3.645 1.00 0.00 C ATOM 1156 C ASN A 74 9.293 -6.201 2.383 1.00 0.00 C ATOM 1157 O ASN A 74 9.896 -5.128 2.401 1.00 0.00 O ATOM 1158 CB ASN A 74 7.844 -6.730 4.352 1.00 0.00 C ATOM 1159 CG ASN A 74 7.496 -7.755 5.414 1.00 0.00 C ATOM 1160 OD1 ASN A 74 7.228 -8.917 5.107 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.498 -7.328 6.672 1.00 0.00 N ATOM 0 H ASN A 74 10.381 -5.850 4.863 1.00 0.00 H new ATOM 0 HA ASN A 74 9.170 -8.098 3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.909 -5.743 4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.041 -6.687 3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.271 -7.972 7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.726 -6.356 6.880 1.00 0.00 H new ATOM 1168 N SER A 75 8.722 -6.691 1.287 1.00 0.00 N ATOM 1169 CA SER A 75 8.776 -5.982 0.014 1.00 0.00 C ATOM 1170 C SER A 75 7.486 -6.183 -0.776 1.00 0.00 C ATOM 1171 O SER A 75 7.244 -7.258 -1.328 1.00 0.00 O ATOM 1172 CB SER A 75 9.972 -6.461 -0.810 1.00 0.00 C ATOM 1173 OG SER A 75 9.907 -7.857 -1.040 1.00 0.00 O ATOM 0 H SER A 75 8.217 -7.576 1.255 1.00 0.00 H new ATOM 0 HA SER A 75 8.891 -4.918 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.995 -5.933 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.898 -6.218 -0.288 1.00 0.00 H new ATOM 0 HG SER A 75 8.976 -8.120 -1.197 1.00 0.00 H new ATOM 1179 N LEU A 76 6.662 -5.143 -0.825 1.00 0.00 N ATOM 1180 CA LEU A 76 5.396 -5.204 -1.547 1.00 0.00 C ATOM 1181 C LEU A 76 5.436 -4.326 -2.793 1.00 0.00 C ATOM 1182 O LEU A 76 6.447 -3.683 -3.079 1.00 0.00 O ATOM 1183 CB LEU A 76 4.246 -4.767 -0.638 1.00 0.00 C ATOM 1184 CG LEU A 76 3.819 -5.770 0.435 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.978 -5.086 1.500 1.00 0.00 C ATOM 1186 CD2 LEU A 76 3.054 -6.927 -0.191 1.00 0.00 C ATOM 0 H LEU A 76 6.847 -4.247 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 76 5.233 -6.236 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.532 -3.838 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.381 -4.543 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 76 4.715 -6.169 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.683 -5.815 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.560 -4.293 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.087 -4.659 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.758 -7.631 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.165 -6.546 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.691 -7.434 -0.916 1.00 0.00 H new ATOM 1198 N TYR A 77 4.331 -4.301 -3.530 1.00 0.00 N ATOM 1199 CA TYR A 77 4.240 -3.501 -4.746 1.00 0.00 C ATOM 1200 C TYR A 77 2.789 -3.150 -5.060 1.00 0.00 C ATOM 1201 O TYR A 77 1.875 -3.922 -4.770 1.00 0.00 O ATOM 1202 CB TYR A 77 4.862 -4.254 -5.924 1.00 0.00 C ATOM 1203 CG TYR A 77 4.152 -5.546 -6.259 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.496 -6.734 -5.626 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.138 -5.579 -7.208 1.00 0.00 C ATOM 1206 CE1 TYR A 77 3.851 -7.918 -5.929 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.487 -6.758 -7.516 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.847 -7.924 -6.874 1.00 0.00 C ATOM 1209 OH TYR A 77 2.202 -9.101 -7.180 1.00 0.00 O ATOM 0 H TYR A 77 3.485 -4.826 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 77 4.791 -2.575 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.856 -3.608 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.905 -4.471 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.281 -6.732 -4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.854 -4.668 -7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.132 -8.833 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.700 -6.766 -8.256 1.00 0.00 H new ATOM 0 HH TYR A 77 1.521 -8.932 -7.864 1.00 0.00 H new ATOM 1219 N VAL A 78 2.586 -1.980 -5.656 1.00 0.00 N ATOM 1220 CA VAL A 78 1.247 -1.525 -6.012 1.00 0.00 C ATOM 1221 C VAL A 78 1.085 -1.427 -7.525 1.00 0.00 C ATOM 1222 O VAL A 78 2.021 -1.065 -8.239 1.00 0.00 O ATOM 1223 CB VAL A 78 0.934 -0.155 -5.383 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.436 0.336 -5.827 1.00 0.00 C ATOM 1225 CG2 VAL A 78 1.015 -0.234 -3.866 1.00 0.00 C ATOM 0 H VAL A 78 3.332 -1.329 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 78 0.547 -2.264 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 78 1.680 0.562 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.640 1.306 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.453 0.433 -6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.197 -0.379 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.791 0.743 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.293 -0.964 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.019 -0.538 -3.571 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.109 -1.751 -8.008 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.396 -1.700 -9.437 1.00 0.00 C ATOM 1237 C LEU A 79 -1.726 -1.001 -9.701 1.00 0.00 C ATOM 1238 O LEU A 79 -2.787 -1.497 -9.321 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.425 -3.112 -10.023 1.00 0.00 C ATOM 1240 CG LEU A 79 0.809 -3.975 -9.756 1.00 0.00 C ATOM 1241 CD1 LEU A 79 0.462 -5.452 -9.864 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.930 -3.617 -10.721 1.00 0.00 C ATOM 0 H LEU A 79 -0.894 -2.052 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 79 0.396 -1.129 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.299 -3.630 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.562 -3.033 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 79 1.153 -3.777 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.353 -6.050 -9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.307 -5.700 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.091 -5.666 -10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.800 -4.241 -10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.596 -3.785 -11.745 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.198 -2.568 -10.594 1.00 0.00 H new ATOM 1254 N THR A 80 -1.662 0.154 -10.356 1.00 0.00 N ATOM 1255 CA THR A 80 -2.861 0.921 -10.672 1.00 0.00 C ATOM 1256 C THR A 80 -3.249 0.757 -12.137 1.00 0.00 C ATOM 1257 O THR A 80 -2.738 1.446 -13.020 1.00 0.00 O ATOM 1258 CB THR A 80 -2.665 2.419 -10.369 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.546 2.926 -11.105 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.445 2.646 -8.881 1.00 0.00 C ATOM 0 H THR A 80 -0.792 0.579 -10.678 1.00 0.00 H new ATOM 0 HA THR A 80 -3.661 0.532 -10.042 1.00 0.00 H new ATOM 0 HB THR A 80 -3.568 2.949 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.619 2.649 -12.042 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.309 3.711 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.312 2.286 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.557 2.104 -8.558 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.174 -0.177 -12.404 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.652 -0.452 -13.762 1.00 0.00 C ATOM 1270 C PRO A 81 -5.498 0.687 -14.321 1.00 0.00 C ATOM 1271 O PRO A 81 -5.298 1.122 -15.455 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.500 -1.714 -13.590 1.00 0.00 C ATOM 1273 CG PRO A 81 -5.944 -1.682 -12.168 1.00 0.00 C ATOM 1274 CD PRO A 81 -4.825 -1.035 -11.400 1.00 0.00 C ATOM 0 HA PRO A 81 -3.830 -0.567 -14.468 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.351 -1.714 -14.271 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.921 -2.612 -13.804 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.869 -1.116 -12.061 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.141 -2.688 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.199 -0.454 -10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.135 -1.775 -10.996 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.442 1.165 -13.518 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.318 2.255 -13.932 1.00 0.00 C ATOM 1284 C ASP A 82 -6.549 3.570 -14.012 1.00 0.00 C ATOM 1285 O ASP A 82 -6.483 4.199 -15.069 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.490 2.393 -12.959 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.597 1.397 -13.241 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -9.301 0.186 -13.314 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.760 1.828 -13.387 1.00 0.00 O ATOM 0 H ASP A 82 -6.620 0.815 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.705 2.021 -14.924 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.130 2.253 -11.940 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.891 3.405 -13.019 1.00 0.00 H new ATOM 1294 N LEU A 83 -5.970 3.979 -12.889 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.205 5.220 -12.831 1.00 0.00 C ATOM 1296 C LEU A 83 -4.279 5.346 -14.037 1.00 0.00 C ATOM 1297 O LEU A 83 -3.453 4.475 -14.309 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.390 5.280 -11.539 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.005 6.678 -11.052 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.231 7.425 -10.552 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -2.949 6.590 -9.960 1.00 0.00 C ATOM 0 H LEU A 83 -6.015 3.470 -12.006 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.908 6.053 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.959 4.787 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.477 4.703 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.585 7.232 -11.892 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.938 8.417 -10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.955 7.520 -11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.681 6.874 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.687 7.594 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.342 6.018 -9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.061 6.095 -10.352 1.00 0.00 H new ATOM 1313 N PRO A 84 -4.417 6.457 -14.776 1.00 0.00 N ATOM 1314 CA PRO A 84 -3.599 6.725 -15.963 1.00 0.00 C ATOM 1315 C PRO A 84 -2.145 7.022 -15.610 1.00 0.00 C ATOM 1316 O PRO A 84 -1.793 7.230 -14.449 1.00 0.00 O ATOM 1317 CB PRO A 84 -4.262 7.959 -16.579 1.00 0.00 C ATOM 1318 CG PRO A 84 -4.940 8.635 -15.438 1.00 0.00 C ATOM 1319 CD PRO A 84 -5.381 7.538 -14.509 1.00 0.00 C ATOM 0 HA PRO A 84 -3.559 5.866 -16.633 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.525 8.613 -17.045 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.976 7.679 -17.354 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.262 9.324 -14.934 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.792 9.221 -15.782 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.349 7.857 -13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.404 7.224 -14.715 1.00 0.00 H new ATOM 1327 N PRO A 85 -1.280 7.043 -16.634 1.00 0.00 N ATOM 1328 CA PRO A 85 0.150 7.315 -16.457 1.00 0.00 C ATOM 1329 C PRO A 85 0.421 8.765 -16.070 1.00 0.00 C ATOM 1330 O PRO A 85 0.196 9.692 -16.848 1.00 0.00 O ATOM 1331 CB PRO A 85 0.743 7.009 -17.835 1.00 0.00 C ATOM 1332 CG PRO A 85 -0.386 7.210 -18.786 1.00 0.00 C ATOM 1333 CD PRO A 85 -1.630 6.804 -18.044 1.00 0.00 C ATOM 0 HA PRO A 85 0.581 6.721 -15.651 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.576 7.673 -18.064 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.125 5.989 -17.884 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.445 8.250 -19.107 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.252 6.606 -19.684 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.492 7.397 -18.350 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.882 5.759 -18.224 1.00 0.00 H new ATOM 1341 N PRO A 86 0.915 8.967 -14.840 1.00 0.00 N ATOM 1342 CA PRO A 86 1.229 10.303 -14.323 1.00 0.00 C ATOM 1343 C PRO A 86 2.435 10.925 -15.017 1.00 0.00 C ATOM 1344 O PRO A 86 3.561 10.830 -14.528 1.00 0.00 O ATOM 1345 CB PRO A 86 1.534 10.048 -12.845 1.00 0.00 C ATOM 1346 CG PRO A 86 1.981 8.628 -12.790 1.00 0.00 C ATOM 1347 CD PRO A 86 1.207 7.908 -13.859 1.00 0.00 C ATOM 0 HA PRO A 86 0.413 11.007 -14.489 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.309 10.721 -12.479 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.652 10.210 -12.225 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.054 8.550 -12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.786 8.195 -11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.789 7.100 -14.301 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.294 7.463 -13.464 1.00 0.00 H new ATOM 1355 N SER A 87 2.193 11.561 -16.158 1.00 0.00 N ATOM 1356 CA SER A 87 3.261 12.196 -16.921 1.00 0.00 C ATOM 1357 C SER A 87 3.204 13.714 -16.776 1.00 0.00 C ATOM 1358 O SER A 87 3.369 14.449 -17.749 1.00 0.00 O ATOM 1359 CB SER A 87 3.160 11.810 -18.398 1.00 0.00 C ATOM 1360 OG SER A 87 4.345 12.152 -19.097 1.00 0.00 O ATOM 0 H SER A 87 1.266 11.650 -16.575 1.00 0.00 H new ATOM 0 HA SER A 87 4.214 11.846 -16.525 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.979 10.739 -18.486 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.308 12.316 -18.852 1.00 0.00 H new ATOM 0 HG SER A 87 4.479 13.122 -19.059 1.00 0.00 H new ATOM 1366 N SER A 88 2.970 14.176 -15.551 1.00 0.00 N ATOM 1367 CA SER A 88 2.888 15.606 -15.277 1.00 0.00 C ATOM 1368 C SER A 88 3.236 15.901 -13.821 1.00 0.00 C ATOM 1369 O SER A 88 2.676 15.302 -12.904 1.00 0.00 O ATOM 1370 CB SER A 88 1.485 16.127 -15.593 1.00 0.00 C ATOM 1371 OG SER A 88 1.123 15.838 -16.932 1.00 0.00 O ATOM 0 H SER A 88 2.834 13.581 -14.734 1.00 0.00 H new ATOM 0 HA SER A 88 3.610 16.115 -15.915 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.764 15.674 -14.912 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.448 17.204 -15.427 1.00 0.00 H new ATOM 0 HG SER A 88 0.222 16.180 -17.108 1.00 0.00 H new ATOM 1377 N SER A 89 4.167 16.828 -13.618 1.00 0.00 N ATOM 1378 CA SER A 89 4.594 17.201 -12.275 1.00 0.00 C ATOM 1379 C SER A 89 3.412 17.203 -11.310 1.00 0.00 C ATOM 1380 O SER A 89 2.553 18.083 -11.366 1.00 0.00 O ATOM 1381 CB SER A 89 5.256 18.580 -12.292 1.00 0.00 C ATOM 1382 OG SER A 89 6.628 18.483 -12.631 1.00 0.00 O ATOM 0 H SER A 89 4.640 17.334 -14.367 1.00 0.00 H new ATOM 0 HA SER A 89 5.319 16.462 -11.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.746 19.223 -13.009 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.152 19.049 -11.313 1.00 0.00 H new ATOM 0 HG SER A 89 7.028 19.378 -12.637 1.00 0.00 H new ATOM 1388 N SER A 90 3.376 16.212 -10.426 1.00 0.00 N ATOM 1389 CA SER A 90 2.299 16.096 -9.450 1.00 0.00 C ATOM 1390 C SER A 90 2.585 16.952 -8.220 1.00 0.00 C ATOM 1391 O SER A 90 3.706 17.423 -8.024 1.00 0.00 O ATOM 1392 CB SER A 90 2.112 14.635 -9.036 1.00 0.00 C ATOM 1393 OG SER A 90 3.246 14.154 -8.336 1.00 0.00 O ATOM 0 H SER A 90 4.081 15.477 -10.365 1.00 0.00 H new ATOM 0 HA SER A 90 1.381 16.455 -9.915 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.226 14.542 -8.407 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.940 14.022 -9.921 1.00 0.00 H new ATOM 0 HG SER A 90 3.101 13.219 -8.081 1.00 0.00 H new ATOM 1399 N HIS A 91 1.562 17.151 -7.395 1.00 0.00 N ATOM 1400 CA HIS A 91 1.702 17.950 -6.183 1.00 0.00 C ATOM 1401 C HIS A 91 1.998 17.063 -4.978 1.00 0.00 C ATOM 1402 O HIS A 91 1.614 15.894 -4.946 1.00 0.00 O ATOM 1403 CB HIS A 91 0.432 18.763 -5.932 1.00 0.00 C ATOM 1404 CG HIS A 91 0.443 20.110 -6.587 1.00 0.00 C ATOM 1405 ND1 HIS A 91 0.420 20.282 -7.955 1.00 0.00 N ATOM 1406 CD2 HIS A 91 0.475 21.354 -6.053 1.00 0.00 C ATOM 1407 CE1 HIS A 91 0.438 21.573 -8.234 1.00 0.00 C ATOM 1408 NE2 HIS A 91 0.471 22.245 -7.098 1.00 0.00 N ATOM 0 H HIS A 91 0.628 16.770 -7.544 1.00 0.00 H new ATOM 0 HA HIS A 91 2.540 18.633 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.428 18.199 -6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.299 18.892 -4.858 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.499 21.600 -5.002 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.428 22.005 -9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.490 23.261 -7.011 1.00 0.00 H new ATOM 1417 N ALA A 92 2.684 17.626 -3.988 1.00 0.00 N ATOM 1418 CA ALA A 92 3.030 16.886 -2.781 1.00 0.00 C ATOM 1419 C ALA A 92 2.048 17.184 -1.654 1.00 0.00 C ATOM 1420 O ALA A 92 1.757 18.343 -1.361 1.00 0.00 O ATOM 1421 CB ALA A 92 4.451 17.218 -2.348 1.00 0.00 C ATOM 0 H ALA A 92 3.011 18.592 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 92 2.970 15.821 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.696 16.658 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.146 16.948 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.529 18.286 -2.145 1.00 0.00 H new ATOM 1427 N GLY A 93 1.538 16.130 -1.024 1.00 0.00 N ATOM 1428 CA GLY A 93 0.593 16.300 0.064 1.00 0.00 C ATOM 1429 C GLY A 93 1.233 16.900 1.300 1.00 0.00 C ATOM 1430 O GLY A 93 2.294 17.520 1.219 1.00 0.00 O ATOM 0 H GLY A 93 1.763 15.161 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.224 16.941 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.157 15.333 0.317 1.00 0.00 H new ATOM 1434 N ALA A 94 0.587 16.718 2.447 1.00 0.00 N ATOM 1435 CA ALA A 94 1.101 17.245 3.705 1.00 0.00 C ATOM 1436 C ALA A 94 2.213 16.361 4.258 1.00 0.00 C ATOM 1437 O ALA A 94 2.142 15.134 4.179 1.00 0.00 O ATOM 1438 CB ALA A 94 -0.025 17.378 4.720 1.00 0.00 C ATOM 0 H ALA A 94 -0.293 16.210 2.531 1.00 0.00 H new ATOM 0 HA ALA A 94 1.521 18.232 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.373 17.773 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.785 18.057 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.470 16.400 4.900 1.00 0.00 H new ATOM 1444 N LEU A 95 3.240 16.991 4.817 1.00 0.00 N ATOM 1445 CA LEU A 95 4.369 16.261 5.383 1.00 0.00 C ATOM 1446 C LEU A 95 4.755 16.826 6.747 1.00 0.00 C ATOM 1447 O LEU A 95 5.936 16.928 7.075 1.00 0.00 O ATOM 1448 CB LEU A 95 5.569 16.322 4.436 1.00 0.00 C ATOM 1449 CG LEU A 95 5.711 17.605 3.615 1.00 0.00 C ATOM 1450 CD1 LEU A 95 4.554 17.744 2.638 1.00 0.00 C ATOM 1451 CD2 LEU A 95 5.787 18.818 4.530 1.00 0.00 C ATOM 0 H LEU A 95 3.314 18.006 4.891 1.00 0.00 H new ATOM 0 HA LEU A 95 4.068 15.221 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.477 16.188 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.507 15.479 3.748 1.00 0.00 H new ATOM 0 HG LEU A 95 6.637 17.547 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.672 18.662 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.545 16.890 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.614 17.779 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.888 19.722 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.878 18.880 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.650 18.723 5.189 1.00 0.00 H new ATOM 1463 N GLN A 96 3.749 17.190 7.536 1.00 0.00 N ATOM 1464 CA GLN A 96 3.984 17.743 8.865 1.00 0.00 C ATOM 1465 C GLN A 96 3.589 16.744 9.948 1.00 0.00 C ATOM 1466 O GLN A 96 4.322 16.541 10.915 1.00 0.00 O ATOM 1467 CB GLN A 96 3.200 19.044 9.044 1.00 0.00 C ATOM 1468 CG GLN A 96 1.692 18.858 8.990 1.00 0.00 C ATOM 1469 CD GLN A 96 0.938 20.168 9.108 1.00 0.00 C ATOM 1470 OE1 GLN A 96 1.519 21.246 8.977 1.00 0.00 O ATOM 1471 NE2 GLN A 96 -0.364 20.082 9.356 1.00 0.00 N ATOM 0 H GLN A 96 2.765 17.112 7.279 1.00 0.00 H new ATOM 0 HA GLN A 96 5.049 17.953 8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.468 19.492 10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.499 19.748 8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.423 18.372 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.383 18.191 9.795 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.805 19.168 9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.923 20.930 9.445 1.00 0.00 H new ATOM 1480 N GLU A 97 2.425 16.124 9.778 1.00 0.00 N ATOM 1481 CA GLU A 97 1.933 15.147 10.743 1.00 0.00 C ATOM 1482 C GLU A 97 2.641 13.807 10.569 1.00 0.00 C ATOM 1483 O GLU A 97 3.175 13.246 11.526 1.00 0.00 O ATOM 1484 CB GLU A 97 0.422 14.962 10.589 1.00 0.00 C ATOM 1485 CG GLU A 97 -0.394 16.093 11.191 1.00 0.00 C ATOM 1486 CD GLU A 97 0.038 16.436 12.604 1.00 0.00 C ATOM 1487 OE1 GLU A 97 0.469 15.519 13.333 1.00 0.00 O ATOM 1488 OE2 GLU A 97 -0.054 17.624 12.979 1.00 0.00 O ATOM 0 H GLU A 97 1.806 16.281 8.982 1.00 0.00 H new ATOM 0 HA GLU A 97 2.146 15.523 11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.181 14.876 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.129 14.024 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.301 16.978 10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.448 15.814 11.195 1.00 0.00 H new ATOM 1495 N SER A 98 2.641 13.299 9.341 1.00 0.00 N ATOM 1496 CA SER A 98 3.279 12.022 9.041 1.00 0.00 C ATOM 1497 C SER A 98 4.747 12.038 9.458 1.00 0.00 C ATOM 1498 O SER A 98 5.608 12.521 8.721 1.00 0.00 O ATOM 1499 CB SER A 98 3.164 11.708 7.549 1.00 0.00 C ATOM 1500 OG SER A 98 1.843 11.323 7.209 1.00 0.00 O ATOM 0 H SER A 98 2.206 13.752 8.537 1.00 0.00 H new ATOM 0 HA SER A 98 2.766 11.245 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.452 12.583 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.858 10.909 7.288 1.00 0.00 H new ATOM 0 HG SER A 98 1.795 11.129 6.250 1.00 0.00 H new ATOM 1506 N LEU A 99 5.025 11.506 10.643 1.00 0.00 N ATOM 1507 CA LEU A 99 6.388 11.458 11.160 1.00 0.00 C ATOM 1508 C LEU A 99 7.310 10.718 10.195 1.00 0.00 C ATOM 1509 O LEU A 99 8.532 10.769 10.327 1.00 0.00 O ATOM 1510 CB LEU A 99 6.412 10.778 12.529 1.00 0.00 C ATOM 1511 CG LEU A 99 6.566 9.257 12.521 1.00 0.00 C ATOM 1512 CD1 LEU A 99 5.557 8.623 11.576 1.00 0.00 C ATOM 1513 CD2 LEU A 99 7.984 8.867 12.129 1.00 0.00 C ATOM 0 H LEU A 99 4.324 11.102 11.264 1.00 0.00 H new ATOM 0 HA LEU A 99 6.747 12.482 11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.231 11.203 13.109 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.489 11.027 13.052 1.00 0.00 H new ATOM 0 HG LEU A 99 6.373 8.886 13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.682 7.540 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.547 8.874 11.900 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.718 9.000 10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.076 7.781 12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.205 9.250 11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.689 9.290 12.845 1.00 0.00 H new ATOM 1525 N ASN A 100 6.714 10.032 9.225 1.00 0.00 N ATOM 1526 CA ASN A 100 7.482 9.283 8.237 1.00 0.00 C ATOM 1527 C ASN A 100 8.743 8.694 8.861 1.00 0.00 C ATOM 1528 O ASN A 100 9.804 8.673 8.238 1.00 0.00 O ATOM 1529 CB ASN A 100 7.856 10.186 7.059 1.00 0.00 C ATOM 1530 CG ASN A 100 8.223 9.395 5.819 1.00 0.00 C ATOM 1531 OD1 ASN A 100 7.872 8.222 5.690 1.00 0.00 O ATOM 1532 ND2 ASN A 100 8.934 10.035 4.898 1.00 0.00 N ATOM 0 H ASN A 100 5.703 9.979 9.102 1.00 0.00 H new ATOM 0 HA ASN A 100 6.860 8.464 7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.019 10.847 6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.695 10.821 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.211 9.554 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.203 11.008 5.046 1.00 0.00 H new TER 1539 ASN A 100