USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 817 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 88 ASN : amide:sc= -0.168 X(o=-1.8,f=-2.1!) USER MOD Set 1.2: A 91 ASN : amide:sc= -1.61 K(o=-1.8,f=-1.2) USER MOD Set 2.1: A 47 TYR OH : rot 143:sc= 1.15 USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= -0.014 USER MOD Set 3.1: A 26 SER OG : rot -54:sc= 1.47 USER MOD Set 3.2: A 44 LYS NZ :NH3+ -178:sc= 1.21 (180deg=0) USER MOD Set 4.1: A 23 THR OG1 : rot -37:sc= 0.199 USER MOD Set 4.2: A 49 SER OG : rot 64:sc= 0.121 USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 16 GLN : amide:sc= -3.15! K(o=-3.2!,f=-2) USER MOD Set 6.1: A 6 HIS : no HE2:sc= 2.13 K(o=3.4,f=-10!) USER MOD Set 6.2: A 30 TYR OH : rot -88:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.215 K(o=0.22,f=-1.5) USER MOD Single : A 4 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.26) USER MOD Single : A 5 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.4!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 18 SER OG : rot -42:sc= 0.804 USER MOD Single : A 19 GLN : amide:sc= 0.0969 K(o=0.097,f=-0.48) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.83! C(o=-1.8!,f=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc=-0.00706 (180deg=-0.104) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -0.0641 (180deg=-0.319) USER MOD Single : A 41 THR OG1 : rot 21:sc= 1.63 USER MOD Single : A 42 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 83:sc= 0.182 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 132:sc= 0.734! (180deg=-3.38!) USER MOD Single : A 62 SER OG : rot 70:sc= 1.6 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.1) USER MOD Single : A 68 MET CE :methyl 141:sc= -0.282 (180deg=-0.971) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0835 USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.15) USER MOD Single : A 71 ASN : amide:sc= -3.59! C(o=-3.6!,f=-2.2!) USER MOD Single : A 76 SER OG : rot -134:sc= 1.13 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc=0.000461 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 89 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 95 THR OG1 : rot 93:sc= 0.989 USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.18) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.588 13.508 -9.846 1.00 0.00 N ATOM 2 CA MET A 1 -16.124 14.804 -9.351 1.00 0.00 C ATOM 3 C MET A 1 -16.339 14.905 -7.859 1.00 0.00 C ATOM 4 O MET A 1 -17.483 14.940 -7.397 1.00 0.00 O ATOM 5 CB MET A 1 -16.852 15.951 -10.067 1.00 0.00 C ATOM 6 CG MET A 1 -16.439 17.343 -9.594 1.00 0.00 C ATOM 7 SD MET A 1 -17.347 18.660 -10.433 1.00 0.00 S ATOM 8 CE MET A 1 -16.645 20.106 -9.638 1.00 0.00 C ATOM 0 H1 MET A 1 -16.434 13.453 -10.873 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.058 12.747 -9.375 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.602 13.401 -9.642 1.00 0.00 H new ATOM 0 HA MET A 1 -15.057 14.886 -9.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.666 15.873 -11.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.926 15.833 -9.921 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.603 17.421 -8.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.371 17.478 -9.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.104 21.006 -10.048 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.834 20.059 -8.565 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.570 20.133 -9.816 1.00 0.00 H new ATOM 20 N GLY A 2 -15.239 14.924 -7.108 1.00 0.00 N ATOM 21 CA GLY A 2 -15.304 15.059 -5.671 1.00 0.00 C ATOM 22 C GLY A 2 -16.040 13.912 -5.010 1.00 0.00 C ATOM 23 O GLY A 2 -15.991 12.782 -5.493 1.00 0.00 O ATOM 0 H GLY A 2 -14.293 14.847 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.292 15.116 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.800 15.997 -5.420 1.00 0.00 H new ATOM 27 N HIS A 3 -16.735 14.215 -3.918 1.00 0.00 N ATOM 28 CA HIS A 3 -17.521 13.238 -3.126 1.00 0.00 C ATOM 29 C HIS A 3 -16.642 12.255 -2.365 1.00 0.00 C ATOM 30 O HIS A 3 -16.600 12.276 -1.141 1.00 0.00 O ATOM 31 CB HIS A 3 -18.556 12.466 -3.979 1.00 0.00 C ATOM 32 CG HIS A 3 -19.608 13.315 -4.610 1.00 0.00 C ATOM 33 ND1 HIS A 3 -19.544 13.741 -5.914 1.00 0.00 N ATOM 34 CD2 HIS A 3 -20.766 13.801 -4.118 1.00 0.00 C ATOM 35 CE1 HIS A 3 -20.611 14.443 -6.197 1.00 0.00 C ATOM 36 NE2 HIS A 3 -21.370 14.495 -5.126 1.00 0.00 N ATOM 0 H HIS A 3 -16.777 15.162 -3.540 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.065 13.841 -2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.027 11.925 -4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.041 11.720 -3.349 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -18.782 13.541 -6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -21.144 13.666 -3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -20.831 14.902 -7.150 1.00 0.00 H new ATOM 45 N HIS A 4 -15.937 11.413 -3.099 1.00 0.00 N ATOM 46 CA HIS A 4 -15.122 10.343 -2.518 1.00 0.00 C ATOM 47 C HIS A 4 -14.086 10.851 -1.511 1.00 0.00 C ATOM 48 O HIS A 4 -13.145 11.564 -1.860 1.00 0.00 O ATOM 49 CB HIS A 4 -14.456 9.451 -3.600 1.00 0.00 C ATOM 50 CG HIS A 4 -13.535 10.173 -4.544 1.00 0.00 C ATOM 51 ND1 HIS A 4 -12.175 10.262 -4.356 1.00 0.00 N ATOM 52 CD2 HIS A 4 -13.791 10.847 -5.681 1.00 0.00 C ATOM 53 CE1 HIS A 4 -11.650 10.963 -5.335 1.00 0.00 C ATOM 54 NE2 HIS A 4 -12.608 11.326 -6.148 1.00 0.00 N ATOM 0 H HIS A 4 -15.909 11.446 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.823 9.721 -1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.894 8.661 -3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.240 8.966 -4.182 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -14.760 10.982 -6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -10.603 11.200 -5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -12.487 11.880 -6.996 1.00 0.00 H new ATOM 63 N HIS A 5 -14.288 10.488 -0.275 1.00 0.00 N ATOM 64 CA HIS A 5 -13.383 10.809 0.802 1.00 0.00 C ATOM 65 C HIS A 5 -13.629 9.800 1.892 1.00 0.00 C ATOM 66 O HIS A 5 -14.764 9.386 2.095 1.00 0.00 O ATOM 67 CB HIS A 5 -13.579 12.263 1.331 1.00 0.00 C ATOM 68 CG HIS A 5 -14.873 12.538 2.065 1.00 0.00 C ATOM 69 ND1 HIS A 5 -16.039 12.904 1.444 1.00 0.00 N ATOM 70 CD2 HIS A 5 -15.157 12.502 3.387 1.00 0.00 C ATOM 71 CE1 HIS A 5 -16.976 13.083 2.348 1.00 0.00 C ATOM 72 NE2 HIS A 5 -16.465 12.843 3.533 1.00 0.00 N ATOM 0 H HIS A 5 -15.102 9.950 0.022 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.354 10.764 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.750 12.500 1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.513 12.947 0.485 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -16.160 13.019 0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -14.470 12.249 4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -17.996 13.378 2.149 1.00 0.00 H new ATOM 81 N HIS A 6 -12.608 9.381 2.558 1.00 0.00 N ATOM 82 CA HIS A 6 -12.766 8.358 3.576 1.00 0.00 C ATOM 83 C HIS A 6 -12.248 8.868 4.899 1.00 0.00 C ATOM 84 O HIS A 6 -11.104 9.312 4.985 1.00 0.00 O ATOM 85 CB HIS A 6 -12.006 7.083 3.186 1.00 0.00 C ATOM 86 CG HIS A 6 -12.423 6.445 1.889 1.00 0.00 C ATOM 87 ND1 HIS A 6 -13.071 5.244 1.809 1.00 0.00 N ATOM 88 CD2 HIS A 6 -12.233 6.836 0.613 1.00 0.00 C ATOM 89 CE1 HIS A 6 -13.261 4.925 0.557 1.00 0.00 C ATOM 90 NE2 HIS A 6 -12.762 5.871 -0.193 1.00 0.00 N ATOM 0 H HIS A 6 -11.654 9.718 2.429 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.826 8.121 3.664 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.943 7.319 3.128 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.127 6.351 3.985 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -13.363 4.681 2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.751 7.746 0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.749 4.029 0.201 1.00 0.00 H new ATOM 99 N HIS A 7 -13.075 8.832 5.913 1.00 0.00 N ATOM 100 CA HIS A 7 -12.670 9.264 7.235 1.00 0.00 C ATOM 101 C HIS A 7 -13.409 8.473 8.303 1.00 0.00 C ATOM 102 O HIS A 7 -14.539 8.809 8.655 1.00 0.00 O ATOM 103 CB HIS A 7 -12.892 10.775 7.424 1.00 0.00 C ATOM 104 CG HIS A 7 -12.466 11.285 8.766 1.00 0.00 C ATOM 105 ND1 HIS A 7 -13.353 11.655 9.745 1.00 0.00 N ATOM 106 CD2 HIS A 7 -11.240 11.499 9.277 1.00 0.00 C ATOM 107 CE1 HIS A 7 -12.689 12.075 10.797 1.00 0.00 C ATOM 108 NE2 HIS A 7 -11.407 11.989 10.539 1.00 0.00 N ATOM 0 H HIS A 7 -14.040 8.506 5.852 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.602 9.072 7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.344 11.313 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.949 10.998 7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.298 11.317 8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.125 12.431 11.719 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.655 12.247 11.179 1.00 0.00 H new ATOM 117 N HIS A 8 -12.755 7.415 8.779 1.00 0.00 N ATOM 118 CA HIS A 8 -13.272 6.464 9.803 1.00 0.00 C ATOM 119 C HIS A 8 -12.454 5.199 9.700 1.00 0.00 C ATOM 120 O HIS A 8 -12.213 4.510 10.686 1.00 0.00 O ATOM 121 CB HIS A 8 -14.755 6.088 9.543 1.00 0.00 C ATOM 122 CG HIS A 8 -15.340 5.107 10.524 1.00 0.00 C ATOM 123 ND1 HIS A 8 -15.578 3.785 10.214 1.00 0.00 N ATOM 124 CD2 HIS A 8 -15.745 5.264 11.802 1.00 0.00 C ATOM 125 CE1 HIS A 8 -16.101 3.179 11.254 1.00 0.00 C ATOM 126 NE2 HIS A 8 -16.212 4.052 12.228 1.00 0.00 N ATOM 0 H HIS A 8 -11.816 7.174 8.461 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.201 6.934 10.784 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -15.354 6.998 9.560 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -14.839 5.670 8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -15.707 6.176 12.379 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.391 2.140 11.301 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.587 3.857 13.156 1.00 0.00 H new ATOM 135 N LEU A 9 -12.068 4.933 8.469 1.00 0.00 N ATOM 136 CA LEU A 9 -11.344 3.763 8.008 1.00 0.00 C ATOM 137 C LEU A 9 -12.174 2.514 7.942 1.00 0.00 C ATOM 138 O LEU A 9 -13.040 2.249 8.792 1.00 0.00 O ATOM 139 CB LEU A 9 -9.891 3.552 8.519 1.00 0.00 C ATOM 140 CG LEU A 9 -9.586 3.292 9.995 1.00 0.00 C ATOM 141 CD1 LEU A 9 -10.222 1.993 10.494 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.099 3.212 10.135 1.00 0.00 C ATOM 0 H LEU A 9 -12.267 5.579 7.705 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.143 4.040 6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.479 2.713 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.324 4.437 8.231 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.004 4.100 10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.979 1.850 11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.304 2.049 10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.837 1.154 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.841 3.027 11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.719 2.399 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.652 4.152 9.812 1.00 0.00 H new ATOM 154 N GLU A 10 -11.929 1.778 6.923 1.00 0.00 N ATOM 155 CA GLU A 10 -12.686 0.621 6.584 1.00 0.00 C ATOM 156 C GLU A 10 -11.766 -0.503 6.163 1.00 0.00 C ATOM 157 O GLU A 10 -10.594 -0.276 5.878 1.00 0.00 O ATOM 158 CB GLU A 10 -13.575 1.026 5.444 1.00 0.00 C ATOM 159 CG GLU A 10 -12.779 1.663 4.328 1.00 0.00 C ATOM 160 CD GLU A 10 -13.652 2.328 3.317 1.00 0.00 C ATOM 161 OE1 GLU A 10 -13.974 3.524 3.502 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.031 1.691 2.328 1.00 0.00 O ATOM 0 H GLU A 10 -11.166 1.968 6.273 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.268 0.261 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.104 0.152 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.331 1.726 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.091 2.396 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.173 0.902 3.837 1.00 0.00 H new ATOM 169 N GLU A 11 -12.283 -1.684 6.125 1.00 0.00 N ATOM 170 CA GLU A 11 -11.556 -2.803 5.692 1.00 0.00 C ATOM 171 C GLU A 11 -11.793 -3.074 4.214 1.00 0.00 C ATOM 172 O GLU A 11 -12.903 -2.938 3.696 1.00 0.00 O ATOM 173 CB GLU A 11 -11.916 -4.015 6.533 1.00 0.00 C ATOM 174 CG GLU A 11 -11.406 -5.323 5.992 1.00 0.00 C ATOM 175 CD GLU A 11 -11.815 -6.487 6.845 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.342 -6.601 7.995 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.652 -7.295 6.390 1.00 0.00 O ATOM 0 H GLU A 11 -13.243 -1.891 6.402 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.494 -2.595 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.521 -3.874 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.001 -4.071 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.783 -5.467 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.319 -5.288 5.926 1.00 0.00 H new ATOM 184 N PHE A 12 -10.737 -3.397 3.571 1.00 0.00 N ATOM 185 CA PHE A 12 -10.691 -3.816 2.229 1.00 0.00 C ATOM 186 C PHE A 12 -10.072 -5.165 2.198 1.00 0.00 C ATOM 187 O PHE A 12 -9.332 -5.503 3.084 1.00 0.00 O ATOM 188 CB PHE A 12 -9.782 -2.915 1.424 1.00 0.00 C ATOM 189 CG PHE A 12 -10.285 -1.530 1.150 1.00 0.00 C ATOM 190 CD1 PHE A 12 -11.061 -1.272 0.031 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.968 -0.479 1.997 1.00 0.00 C ATOM 192 CE1 PHE A 12 -11.514 0.003 -0.238 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.415 0.799 1.733 1.00 0.00 C ATOM 194 CZ PHE A 12 -11.191 1.042 0.613 1.00 0.00 C ATOM 0 H PHE A 12 -9.814 -3.373 4.004 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.701 -3.801 1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.830 -2.835 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.580 -3.400 0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.314 -2.080 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.364 -0.663 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.120 0.188 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.160 1.609 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.543 2.042 0.405 1.00 0.00 H new ATOM 204 N THR A 13 -10.366 -5.933 1.218 1.00 0.00 N ATOM 205 CA THR A 13 -9.677 -7.170 1.053 1.00 0.00 C ATOM 206 C THR A 13 -8.732 -6.994 -0.133 1.00 0.00 C ATOM 207 O THR A 13 -9.017 -6.185 -0.988 1.00 0.00 O ATOM 208 CB THR A 13 -10.644 -8.297 0.789 1.00 0.00 C ATOM 209 OG1 THR A 13 -11.716 -8.228 1.740 1.00 0.00 O ATOM 210 CG2 THR A 13 -9.937 -9.593 0.977 1.00 0.00 C ATOM 0 H THR A 13 -11.077 -5.734 0.515 1.00 0.00 H new ATOM 0 HA THR A 13 -9.129 -7.426 1.960 1.00 0.00 H new ATOM 0 HB THR A 13 -11.033 -8.217 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.349 -8.957 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.628 -10.415 0.788 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.100 -9.655 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.565 -9.659 1.999 1.00 0.00 H new ATOM 218 N ALA A 14 -7.630 -7.735 -0.176 1.00 0.00 N ATOM 219 CA ALA A 14 -6.590 -7.541 -1.194 1.00 0.00 C ATOM 220 C ALA A 14 -7.116 -7.544 -2.630 1.00 0.00 C ATOM 221 O ALA A 14 -6.821 -6.638 -3.376 1.00 0.00 O ATOM 222 CB ALA A 14 -5.479 -8.554 -1.028 1.00 0.00 C ATOM 0 H ALA A 14 -7.428 -8.484 0.487 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.194 -6.540 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.720 -8.391 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.029 -8.442 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.886 -9.560 -1.130 1.00 0.00 H new ATOM 228 N GLU A 15 -7.944 -8.506 -2.991 1.00 0.00 N ATOM 229 CA GLU A 15 -8.485 -8.545 -4.361 1.00 0.00 C ATOM 230 C GLU A 15 -9.440 -7.395 -4.631 1.00 0.00 C ATOM 231 O GLU A 15 -9.548 -6.906 -5.747 1.00 0.00 O ATOM 232 CB GLU A 15 -9.129 -9.886 -4.678 1.00 0.00 C ATOM 233 CG GLU A 15 -8.136 -11.027 -4.724 1.00 0.00 C ATOM 234 CD GLU A 15 -7.059 -10.794 -5.756 1.00 0.00 C ATOM 235 OE1 GLU A 15 -7.302 -11.069 -6.955 1.00 0.00 O ATOM 236 OE2 GLU A 15 -5.951 -10.329 -5.392 1.00 0.00 O ATOM 0 H GLU A 15 -8.259 -9.260 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.637 -8.423 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.889 -10.104 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.640 -9.819 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.678 -11.150 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.660 -11.956 -4.949 1.00 0.00 H new ATOM 243 N GLN A 16 -10.110 -6.968 -3.604 1.00 0.00 N ATOM 244 CA GLN A 16 -11.025 -5.858 -3.690 1.00 0.00 C ATOM 245 C GLN A 16 -10.259 -4.530 -3.744 1.00 0.00 C ATOM 246 O GLN A 16 -10.662 -3.589 -4.424 1.00 0.00 O ATOM 247 CB GLN A 16 -12.035 -5.890 -2.515 1.00 0.00 C ATOM 248 CG GLN A 16 -13.128 -6.979 -2.617 1.00 0.00 C ATOM 249 CD GLN A 16 -12.613 -8.406 -2.680 1.00 0.00 C ATOM 250 OE1 GLN A 16 -12.343 -8.926 -3.754 1.00 0.00 O ATOM 251 NE2 GLN A 16 -12.523 -9.052 -1.554 1.00 0.00 N ATOM 0 H GLN A 16 -10.040 -7.380 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.595 -5.946 -4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.483 -6.037 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.520 -4.916 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.792 -6.887 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.729 -6.787 -3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.757 -8.585 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.219 -10.026 -1.547 1.00 0.00 H new ATOM 260 N LEU A 17 -9.139 -4.496 -3.051 1.00 0.00 N ATOM 261 CA LEU A 17 -8.278 -3.330 -2.952 1.00 0.00 C ATOM 262 C LEU A 17 -7.456 -3.179 -4.231 1.00 0.00 C ATOM 263 O LEU A 17 -7.319 -2.081 -4.751 1.00 0.00 O ATOM 264 CB LEU A 17 -7.369 -3.492 -1.693 1.00 0.00 C ATOM 265 CG LEU A 17 -6.431 -2.324 -1.247 1.00 0.00 C ATOM 266 CD1 LEU A 17 -5.347 -2.034 -2.208 1.00 0.00 C ATOM 267 CD2 LEU A 17 -7.200 -1.076 -0.913 1.00 0.00 C ATOM 0 H LEU A 17 -8.791 -5.299 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.871 -2.422 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.021 -3.723 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.740 -4.367 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.949 -2.680 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.737 -1.213 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.725 -2.920 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.778 -1.755 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.507 -0.292 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.758 -0.747 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.894 -1.283 -0.098 1.00 0.00 H new ATOM 279 N SER A 18 -6.945 -4.296 -4.750 1.00 0.00 N ATOM 280 CA SER A 18 -6.106 -4.308 -5.953 1.00 0.00 C ATOM 281 C SER A 18 -6.832 -3.842 -7.213 1.00 0.00 C ATOM 282 O SER A 18 -6.237 -3.748 -8.285 1.00 0.00 O ATOM 283 CB SER A 18 -5.461 -5.685 -6.152 1.00 0.00 C ATOM 284 OG SER A 18 -4.599 -5.991 -5.061 1.00 0.00 O ATOM 0 H SER A 18 -7.100 -5.221 -4.349 1.00 0.00 H new ATOM 0 HA SER A 18 -5.318 -3.574 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.235 -6.448 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.897 -5.698 -7.084 1.00 0.00 H new ATOM 0 HG SER A 18 -4.076 -5.197 -4.825 1.00 0.00 H new ATOM 290 N GLN A 19 -8.098 -3.563 -7.089 1.00 0.00 N ATOM 291 CA GLN A 19 -8.852 -3.023 -8.177 1.00 0.00 C ATOM 292 C GLN A 19 -8.691 -1.510 -8.195 1.00 0.00 C ATOM 293 O GLN A 19 -8.689 -0.882 -9.255 1.00 0.00 O ATOM 294 CB GLN A 19 -10.311 -3.414 -8.049 1.00 0.00 C ATOM 295 CG GLN A 19 -10.524 -4.911 -8.082 1.00 0.00 C ATOM 296 CD GLN A 19 -11.961 -5.308 -7.896 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.883 -4.573 -8.269 1.00 0.00 O ATOM 298 NE2 GLN A 19 -12.166 -6.453 -7.311 1.00 0.00 N ATOM 0 H GLN A 19 -8.633 -3.704 -6.232 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.480 -3.428 -9.118 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.708 -3.016 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.878 -2.953 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.166 -5.302 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.922 -5.375 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.374 -7.026 -7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.119 -6.777 -7.143 1.00 0.00 H new ATOM 307 N TYR A 20 -8.502 -0.934 -7.023 1.00 0.00 N ATOM 308 CA TYR A 20 -8.350 0.496 -6.890 1.00 0.00 C ATOM 309 C TYR A 20 -6.911 0.895 -7.063 1.00 0.00 C ATOM 310 O TYR A 20 -6.182 1.125 -6.095 1.00 0.00 O ATOM 311 CB TYR A 20 -8.902 1.012 -5.563 1.00 0.00 C ATOM 312 CG TYR A 20 -10.378 0.791 -5.402 1.00 0.00 C ATOM 313 CD1 TYR A 20 -11.287 1.708 -5.900 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.867 -0.333 -4.760 1.00 0.00 C ATOM 315 CE1 TYR A 20 -12.640 1.513 -5.765 1.00 0.00 C ATOM 316 CE2 TYR A 20 -12.219 -0.537 -4.619 1.00 0.00 C ATOM 317 CZ TYR A 20 -13.104 0.389 -5.123 1.00 0.00 C ATOM 318 OH TYR A 20 -14.464 0.185 -4.992 1.00 0.00 O ATOM 0 H TYR A 20 -8.450 -1.445 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.937 0.959 -7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.377 0.519 -4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.691 2.078 -5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.926 2.593 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.175 -1.062 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.335 2.238 -6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.585 -1.419 -4.115 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.624 -0.656 -4.515 1.00 0.00 H new ATOM 328 N ASN A 21 -6.486 0.890 -8.291 1.00 0.00 N ATOM 329 CA ASN A 21 -5.137 1.251 -8.616 1.00 0.00 C ATOM 330 C ASN A 21 -5.087 2.543 -9.430 1.00 0.00 C ATOM 331 O ASN A 21 -4.032 3.119 -9.632 1.00 0.00 O ATOM 332 CB ASN A 21 -4.389 0.092 -9.307 1.00 0.00 C ATOM 333 CG ASN A 21 -5.030 -0.390 -10.612 1.00 0.00 C ATOM 334 OD1 ASN A 21 -5.717 0.363 -11.322 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.812 -1.643 -10.940 1.00 0.00 N ATOM 0 H ASN A 21 -7.062 0.637 -9.094 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.612 1.446 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.367 0.409 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.328 -0.748 -8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.211 -2.022 -11.799 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.243 -2.237 -10.336 1.00 0.00 H new ATOM 342 N GLY A 22 -6.238 2.974 -9.916 1.00 0.00 N ATOM 343 CA GLY A 22 -6.327 4.255 -10.581 1.00 0.00 C ATOM 344 C GLY A 22 -6.085 4.257 -12.064 1.00 0.00 C ATOM 345 O GLY A 22 -6.347 5.263 -12.716 1.00 0.00 O ATOM 0 H GLY A 22 -7.116 2.458 -9.862 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.319 4.667 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.609 4.931 -10.117 1.00 0.00 H new ATOM 349 N THR A 23 -5.614 3.173 -12.620 1.00 0.00 N ATOM 350 CA THR A 23 -5.288 3.187 -14.031 1.00 0.00 C ATOM 351 C THR A 23 -6.515 2.879 -14.881 1.00 0.00 C ATOM 352 O THR A 23 -6.507 3.058 -16.095 1.00 0.00 O ATOM 353 CB THR A 23 -4.125 2.218 -14.364 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.628 2.455 -15.693 1.00 0.00 O ATOM 355 CG2 THR A 23 -4.557 0.759 -14.249 1.00 0.00 C ATOM 0 H THR A 23 -5.449 2.289 -12.139 1.00 0.00 H new ATOM 0 HA THR A 23 -4.951 4.195 -14.274 1.00 0.00 H new ATOM 0 HB THR A 23 -3.336 2.409 -13.637 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.375 2.679 -16.287 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.715 0.110 -14.490 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.891 0.558 -13.231 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.374 0.566 -14.944 1.00 0.00 H new ATOM 363 N ASP A 24 -7.575 2.445 -14.241 1.00 0.00 N ATOM 364 CA ASP A 24 -8.781 2.084 -14.960 1.00 0.00 C ATOM 365 C ASP A 24 -9.841 3.154 -14.790 1.00 0.00 C ATOM 366 O ASP A 24 -10.389 3.285 -13.709 1.00 0.00 O ATOM 367 CB ASP A 24 -9.329 0.758 -14.445 1.00 0.00 C ATOM 368 CG ASP A 24 -10.569 0.296 -15.184 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.445 -0.311 -16.256 1.00 0.00 O ATOM 370 OD2 ASP A 24 -11.681 0.514 -14.693 1.00 0.00 O ATOM 0 H ASP A 24 -7.631 2.332 -13.229 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.528 1.989 -16.016 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.556 -0.006 -14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.561 0.856 -13.385 1.00 0.00 H new ATOM 375 N GLU A 25 -10.069 3.970 -15.834 1.00 0.00 N ATOM 376 CA GLU A 25 -11.114 5.033 -15.834 1.00 0.00 C ATOM 377 C GLU A 25 -10.926 6.013 -14.690 1.00 0.00 C ATOM 378 O GLU A 25 -11.858 6.750 -14.334 1.00 0.00 O ATOM 379 CB GLU A 25 -12.525 4.443 -15.754 1.00 0.00 C ATOM 380 CG GLU A 25 -12.946 3.605 -16.937 1.00 0.00 C ATOM 381 CD GLU A 25 -14.367 3.131 -16.794 1.00 0.00 C ATOM 382 OE1 GLU A 25 -15.294 3.941 -17.038 1.00 0.00 O ATOM 383 OE2 GLU A 25 -14.581 1.950 -16.420 1.00 0.00 O ATOM 0 H GLU A 25 -9.540 3.919 -16.705 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.001 5.564 -16.779 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.594 3.831 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.236 5.261 -15.639 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.845 4.188 -17.852 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.282 2.746 -17.032 1.00 0.00 H new ATOM 390 N SER A 26 -9.716 6.042 -14.152 1.00 0.00 N ATOM 391 CA SER A 26 -9.384 6.847 -13.022 1.00 0.00 C ATOM 392 C SER A 26 -10.167 6.395 -11.761 1.00 0.00 C ATOM 393 O SER A 26 -10.935 7.170 -11.160 1.00 0.00 O ATOM 394 CB SER A 26 -9.565 8.353 -13.342 1.00 0.00 C ATOM 395 OG SER A 26 -9.332 9.170 -12.211 1.00 0.00 O ATOM 0 H SER A 26 -8.934 5.491 -14.507 1.00 0.00 H new ATOM 0 HA SER A 26 -8.328 6.704 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.881 8.638 -14.141 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.576 8.526 -13.711 1.00 0.00 H new ATOM 0 HG SER A 26 -9.893 8.866 -11.467 1.00 0.00 H new ATOM 401 N LYS A 27 -10.022 5.111 -11.408 1.00 0.00 N ATOM 402 CA LYS A 27 -10.576 4.604 -10.147 1.00 0.00 C ATOM 403 C LYS A 27 -9.836 5.267 -9.001 1.00 0.00 C ATOM 404 O LYS A 27 -8.708 5.716 -9.198 1.00 0.00 O ATOM 405 CB LYS A 27 -10.391 3.071 -9.996 1.00 0.00 C ATOM 406 CG LYS A 27 -11.069 2.190 -11.031 1.00 0.00 C ATOM 407 CD LYS A 27 -10.910 0.729 -10.652 1.00 0.00 C ATOM 408 CE LYS A 27 -11.615 -0.210 -11.613 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.079 -0.006 -11.639 1.00 0.00 N ATOM 0 H LYS A 27 -9.533 4.413 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.643 4.827 -10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.323 2.855 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.758 2.781 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.127 2.443 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.634 2.369 -12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.849 0.480 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.303 0.575 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.214 -0.065 -12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.401 -1.241 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.527 -0.776 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.446 -0.003 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.295 0.904 -12.093 1.00 0.00 H new ATOM 423 N PRO A 28 -10.455 5.380 -7.808 1.00 0.00 N ATOM 424 CA PRO A 28 -9.757 5.871 -6.615 1.00 0.00 C ATOM 425 C PRO A 28 -8.462 5.071 -6.397 1.00 0.00 C ATOM 426 O PRO A 28 -8.415 3.871 -6.672 1.00 0.00 O ATOM 427 CB PRO A 28 -10.748 5.594 -5.491 1.00 0.00 C ATOM 428 CG PRO A 28 -12.081 5.599 -6.145 1.00 0.00 C ATOM 429 CD PRO A 28 -11.872 5.074 -7.536 1.00 0.00 C ATOM 0 HA PRO A 28 -9.470 6.920 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.546 4.635 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.687 6.356 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.785 4.974 -5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.499 6.606 -6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.070 4.004 -7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.533 5.561 -8.253 1.00 0.00 H new ATOM 437 N ILE A 29 -7.437 5.720 -5.921 1.00 0.00 N ATOM 438 CA ILE A 29 -6.138 5.090 -5.819 1.00 0.00 C ATOM 439 C ILE A 29 -5.758 4.983 -4.356 1.00 0.00 C ATOM 440 O ILE A 29 -5.911 5.959 -3.597 1.00 0.00 O ATOM 441 CB ILE A 29 -4.996 5.888 -6.564 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.402 6.352 -7.970 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.785 5.002 -6.711 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.347 7.526 -8.026 1.00 0.00 C ATOM 0 H ILE A 29 -7.469 6.686 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.223 4.113 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.790 6.771 -5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.498 6.610 -8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.864 5.513 -8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.994 5.549 -7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.434 4.698 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.050 4.117 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.566 7.768 -9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.273 7.273 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.886 8.387 -7.543 1.00 0.00 H new ATOM 456 N TYR A 30 -5.245 3.834 -3.947 1.00 0.00 N ATOM 457 CA TYR A 30 -4.901 3.596 -2.575 1.00 0.00 C ATOM 458 C TYR A 30 -3.668 2.763 -2.562 1.00 0.00 C ATOM 459 O TYR A 30 -3.367 2.121 -3.546 1.00 0.00 O ATOM 460 CB TYR A 30 -6.041 2.864 -1.838 1.00 0.00 C ATOM 461 CG TYR A 30 -7.349 3.608 -1.878 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.537 4.748 -1.120 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.378 3.193 -2.704 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.707 5.463 -1.187 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.558 3.892 -2.768 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.714 5.032 -2.011 1.00 0.00 C ATOM 467 OH TYR A 30 -10.880 5.758 -2.095 1.00 0.00 O ATOM 0 H TYR A 30 -5.059 3.045 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.737 4.544 -2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.178 1.878 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.751 2.708 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.748 5.083 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.251 2.306 -3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.833 6.358 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.358 3.550 -3.408 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.506 5.453 -1.405 1.00 0.00 H new ATOM 477 N VAL A 31 -2.949 2.786 -1.500 1.00 0.00 N ATOM 478 CA VAL A 31 -1.760 1.978 -1.390 1.00 0.00 C ATOM 479 C VAL A 31 -1.758 1.293 -0.043 1.00 0.00 C ATOM 480 O VAL A 31 -2.276 1.849 0.932 1.00 0.00 O ATOM 481 CB VAL A 31 -0.451 2.808 -1.601 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.308 3.910 -0.620 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.749 1.933 -1.558 1.00 0.00 C ATOM 0 H VAL A 31 -3.154 3.357 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.776 1.233 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.532 3.259 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.618 4.452 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.154 4.591 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.283 3.498 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.645 2.536 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.803 1.437 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.681 1.183 -2.346 1.00 0.00 H new ATOM 493 N ALA A 32 -1.223 0.101 0.015 1.00 0.00 N ATOM 494 CA ALA A 32 -1.206 -0.634 1.233 1.00 0.00 C ATOM 495 C ALA A 32 0.210 -0.876 1.717 1.00 0.00 C ATOM 496 O ALA A 32 1.088 -1.265 0.951 1.00 0.00 O ATOM 497 CB ALA A 32 -1.949 -1.942 1.067 1.00 0.00 C ATOM 0 H ALA A 32 -0.793 -0.376 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.712 -0.038 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.928 -2.494 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.983 -1.740 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.472 -2.535 0.287 1.00 0.00 H new ATOM 503 N ILE A 33 0.432 -0.589 2.967 1.00 0.00 N ATOM 504 CA ILE A 33 1.679 -0.890 3.631 1.00 0.00 C ATOM 505 C ILE A 33 1.312 -1.535 4.935 1.00 0.00 C ATOM 506 O ILE A 33 0.705 -0.910 5.775 1.00 0.00 O ATOM 507 CB ILE A 33 2.546 0.383 3.887 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.843 1.095 2.561 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.842 0.036 4.623 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.721 2.310 2.690 1.00 0.00 C ATOM 0 H ILE A 33 -0.255 -0.133 3.567 1.00 0.00 H new ATOM 0 HA ILE A 33 2.285 -1.542 3.002 1.00 0.00 H new ATOM 0 HB ILE A 33 1.979 1.059 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.320 0.388 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.899 1.391 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.422 0.944 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.604 -0.419 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.424 -0.664 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.879 2.751 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.239 3.040 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.681 2.021 3.117 1.00 0.00 H new ATOM 522 N LYS A 34 1.634 -2.791 5.063 1.00 0.00 N ATOM 523 CA LYS A 34 1.265 -3.604 6.204 1.00 0.00 C ATOM 524 C LYS A 34 -0.222 -3.631 6.479 1.00 0.00 C ATOM 525 O LYS A 34 -0.665 -3.734 7.620 1.00 0.00 O ATOM 526 CB LYS A 34 2.114 -3.314 7.433 1.00 0.00 C ATOM 527 CG LYS A 34 3.222 -4.327 7.559 1.00 0.00 C ATOM 528 CD LYS A 34 2.616 -5.692 7.906 1.00 0.00 C ATOM 529 CE LYS A 34 3.601 -6.820 7.762 1.00 0.00 C ATOM 530 NZ LYS A 34 3.966 -7.055 6.350 1.00 0.00 N ATOM 0 H LYS A 34 2.175 -3.298 4.362 1.00 0.00 H new ATOM 0 HA LYS A 34 1.503 -4.630 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.536 -2.311 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.490 -3.335 8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.782 -4.390 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.926 -4.020 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.243 -5.669 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.759 -5.879 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.499 -6.593 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.175 -7.730 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.508 -7.939 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.102 -7.128 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.545 -6.263 6.005 1.00 0.00 H new ATOM 544 N GLY A 35 -0.985 -3.590 5.409 1.00 0.00 N ATOM 545 CA GLY A 35 -2.414 -3.651 5.509 1.00 0.00 C ATOM 546 C GLY A 35 -3.045 -2.313 5.782 1.00 0.00 C ATOM 547 O GLY A 35 -4.241 -2.225 5.962 1.00 0.00 O ATOM 0 H GLY A 35 -0.630 -3.514 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.820 -4.055 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.687 -4.344 6.305 1.00 0.00 H new ATOM 551 N ARG A 36 -2.253 -1.288 5.824 1.00 0.00 N ATOM 552 CA ARG A 36 -2.754 0.057 6.038 1.00 0.00 C ATOM 553 C ARG A 36 -3.036 0.629 4.665 1.00 0.00 C ATOM 554 O ARG A 36 -2.147 0.652 3.819 1.00 0.00 O ATOM 555 CB ARG A 36 -1.659 0.895 6.688 1.00 0.00 C ATOM 556 CG ARG A 36 -1.047 0.278 7.925 1.00 0.00 C ATOM 557 CD ARG A 36 -1.846 0.545 9.181 1.00 0.00 C ATOM 558 NE ARG A 36 -1.877 1.974 9.533 1.00 0.00 N ATOM 559 CZ ARG A 36 -2.453 2.492 10.627 1.00 0.00 C ATOM 560 NH1 ARG A 36 -3.107 1.719 11.472 1.00 0.00 N ATOM 561 NH2 ARG A 36 -2.350 3.790 10.873 1.00 0.00 N ATOM 0 H ARG A 36 -1.241 -1.347 5.712 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.640 0.056 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.870 1.069 5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.072 1.869 6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.958 -0.799 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.037 0.666 8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.866 0.185 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.418 -0.021 10.008 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.423 2.624 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.178 0.717 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.542 2.123 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.834 4.391 10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.787 4.188 11.704 1.00 0.00 H new ATOM 575 N VAL A 37 -4.235 1.047 4.436 1.00 0.00 N ATOM 576 CA VAL A 37 -4.616 1.589 3.155 1.00 0.00 C ATOM 577 C VAL A 37 -4.609 3.101 3.201 1.00 0.00 C ATOM 578 O VAL A 37 -5.404 3.712 3.902 1.00 0.00 O ATOM 579 CB VAL A 37 -6.000 1.054 2.716 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.460 1.697 1.429 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.924 -0.441 2.533 1.00 0.00 C ATOM 0 H VAL A 37 -4.986 1.027 5.125 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.886 1.265 2.414 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.722 1.302 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.435 1.297 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.536 2.775 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.741 1.483 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.898 -0.820 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.184 -0.677 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.635 -0.909 3.474 1.00 0.00 H new ATOM 591 N PHE A 38 -3.699 3.689 2.478 1.00 0.00 N ATOM 592 CA PHE A 38 -3.547 5.131 2.448 1.00 0.00 C ATOM 593 C PHE A 38 -4.186 5.690 1.201 1.00 0.00 C ATOM 594 O PHE A 38 -4.138 5.053 0.135 1.00 0.00 O ATOM 595 CB PHE A 38 -2.067 5.501 2.455 1.00 0.00 C ATOM 596 CG PHE A 38 -1.297 4.872 3.572 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.240 5.458 4.816 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.633 3.678 3.370 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.532 4.859 5.835 1.00 0.00 C ATOM 600 CE2 PHE A 38 0.068 3.085 4.383 1.00 0.00 C ATOM 601 CZ PHE A 38 0.120 3.672 5.615 1.00 0.00 C ATOM 0 H PHE A 38 -3.035 3.188 1.888 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.033 5.550 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.622 5.203 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.972 6.585 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.753 6.392 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.668 3.206 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.490 5.325 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.581 2.151 4.209 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.673 3.203 6.415 1.00 0.00 H new ATOM 611 N ASP A 39 -4.786 6.858 1.317 1.00 0.00 N ATOM 612 CA ASP A 39 -5.396 7.505 0.169 1.00 0.00 C ATOM 613 C ASP A 39 -4.343 8.187 -0.650 1.00 0.00 C ATOM 614 O ASP A 39 -3.747 9.183 -0.226 1.00 0.00 O ATOM 615 CB ASP A 39 -6.453 8.538 0.570 1.00 0.00 C ATOM 616 CG ASP A 39 -7.176 9.156 -0.639 1.00 0.00 C ATOM 617 OD1 ASP A 39 -6.560 9.964 -1.390 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.368 8.839 -0.855 1.00 0.00 O ATOM 0 H ASP A 39 -4.865 7.378 2.191 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.890 6.724 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.187 8.065 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.978 9.331 1.147 1.00 0.00 H new ATOM 623 N VAL A 40 -4.089 7.644 -1.794 1.00 0.00 N ATOM 624 CA VAL A 40 -3.196 8.258 -2.722 1.00 0.00 C ATOM 625 C VAL A 40 -3.963 8.742 -3.924 1.00 0.00 C ATOM 626 O VAL A 40 -3.407 8.993 -4.974 1.00 0.00 O ATOM 627 CB VAL A 40 -2.003 7.360 -3.128 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.067 7.171 -1.961 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.471 6.022 -3.621 1.00 0.00 C ATOM 0 H VAL A 40 -4.493 6.763 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.745 9.111 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.474 7.860 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.233 6.537 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.688 8.141 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.603 6.699 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.609 5.415 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.031 5.519 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.113 6.159 -4.491 1.00 0.00 H new ATOM 639 N THR A 41 -5.262 8.933 -3.731 1.00 0.00 N ATOM 640 CA THR A 41 -6.097 9.509 -4.754 1.00 0.00 C ATOM 641 C THR A 41 -5.818 11.010 -4.728 1.00 0.00 C ATOM 642 O THR A 41 -5.960 11.730 -5.725 1.00 0.00 O ATOM 643 CB THR A 41 -7.590 9.249 -4.460 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.798 7.848 -4.242 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.443 9.679 -5.638 1.00 0.00 C ATOM 0 H THR A 41 -5.753 8.694 -2.869 1.00 0.00 H new ATOM 0 HA THR A 41 -5.880 9.069 -5.727 1.00 0.00 H new ATOM 0 HB THR A 41 -7.872 9.820 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.948 7.425 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.493 9.489 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.298 10.743 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.152 9.114 -6.523 1.00 0.00 H new ATOM 653 N THR A 42 -5.392 11.446 -3.554 1.00 0.00 N ATOM 654 CA THR A 42 -4.951 12.788 -3.293 1.00 0.00 C ATOM 655 C THR A 42 -3.618 13.055 -4.078 1.00 0.00 C ATOM 656 O THR A 42 -3.258 14.199 -4.377 1.00 0.00 O ATOM 657 CB THR A 42 -4.733 12.941 -1.761 1.00 0.00 C ATOM 658 OG1 THR A 42 -5.931 12.515 -1.064 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.445 14.384 -1.385 1.00 0.00 C ATOM 0 H THR A 42 -5.346 10.845 -2.732 1.00 0.00 H new ATOM 0 HA THR A 42 -5.694 13.513 -3.624 1.00 0.00 H new ATOM 0 HB THR A 42 -3.878 12.327 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.893 11.548 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.298 14.457 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.544 14.721 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.286 15.012 -1.679 1.00 0.00 H new ATOM 667 N GLY A 43 -2.922 11.970 -4.407 1.00 0.00 N ATOM 668 CA GLY A 43 -1.691 12.030 -5.168 1.00 0.00 C ATOM 669 C GLY A 43 -1.782 11.125 -6.380 1.00 0.00 C ATOM 670 O GLY A 43 -0.879 10.329 -6.653 1.00 0.00 O ATOM 0 H GLY A 43 -3.202 11.024 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.500 13.055 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.852 11.728 -4.541 1.00 0.00 H new ATOM 674 N LYS A 44 -2.888 11.256 -7.114 1.00 0.00 N ATOM 675 CA LYS A 44 -3.201 10.430 -8.243 1.00 0.00 C ATOM 676 C LYS A 44 -2.116 10.471 -9.304 1.00 0.00 C ATOM 677 O LYS A 44 -1.775 9.450 -9.883 1.00 0.00 O ATOM 678 CB LYS A 44 -4.512 10.894 -8.837 1.00 0.00 C ATOM 679 CG LYS A 44 -4.923 10.120 -10.051 1.00 0.00 C ATOM 680 CD LYS A 44 -6.200 10.639 -10.639 1.00 0.00 C ATOM 681 CE LYS A 44 -7.378 10.494 -9.692 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.634 10.953 -10.298 1.00 0.00 N ATOM 0 H LYS A 44 -3.598 11.962 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.276 9.399 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.294 10.812 -8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.430 11.949 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.132 10.171 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.045 9.069 -9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.075 11.690 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.414 10.104 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.479 9.450 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.185 11.065 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.405 10.868 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.537 11.947 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.851 10.370 -11.131 1.00 0.00 H new ATOM 696 N SER A 45 -1.553 11.634 -9.523 1.00 0.00 N ATOM 697 CA SER A 45 -0.538 11.810 -10.546 1.00 0.00 C ATOM 698 C SER A 45 0.766 11.041 -10.221 1.00 0.00 C ATOM 699 O SER A 45 1.682 10.979 -11.043 1.00 0.00 O ATOM 700 CB SER A 45 -0.264 13.295 -10.731 1.00 0.00 C ATOM 701 OG SER A 45 -1.481 13.988 -11.033 1.00 0.00 O ATOM 0 H SER A 45 -1.780 12.483 -9.004 1.00 0.00 H new ATOM 0 HA SER A 45 -0.917 11.389 -11.477 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.182 13.706 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.456 13.442 -11.536 1.00 0.00 H new ATOM 0 HG SER A 45 -1.294 14.943 -11.148 1.00 0.00 H new ATOM 707 N PHE A 46 0.839 10.463 -9.033 1.00 0.00 N ATOM 708 CA PHE A 46 2.001 9.715 -8.629 1.00 0.00 C ATOM 709 C PHE A 46 1.703 8.210 -8.598 1.00 0.00 C ATOM 710 O PHE A 46 2.603 7.392 -8.779 1.00 0.00 O ATOM 711 CB PHE A 46 2.486 10.173 -7.245 1.00 0.00 C ATOM 712 CG PHE A 46 2.824 11.637 -7.151 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.086 12.094 -7.488 1.00 0.00 C ATOM 714 CD2 PHE A 46 1.876 12.555 -6.718 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.397 13.435 -7.396 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.181 13.896 -6.625 1.00 0.00 C ATOM 717 CZ PHE A 46 3.445 14.338 -6.966 1.00 0.00 C ATOM 0 H PHE A 46 0.098 10.503 -8.333 1.00 0.00 H new ATOM 0 HA PHE A 46 2.786 9.902 -9.362 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.714 9.944 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.367 9.592 -6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.835 11.394 -7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.887 12.214 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.386 13.779 -7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.434 14.599 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.688 15.388 -6.896 1.00 0.00 H new ATOM 727 N TYR A 47 0.441 7.843 -8.379 1.00 0.00 N ATOM 728 CA TYR A 47 0.083 6.424 -8.225 1.00 0.00 C ATOM 729 C TYR A 47 -0.926 5.892 -9.261 1.00 0.00 C ATOM 730 O TYR A 47 -0.979 4.696 -9.480 1.00 0.00 O ATOM 731 CB TYR A 47 -0.470 6.175 -6.815 1.00 0.00 C ATOM 732 CG TYR A 47 0.518 6.405 -5.700 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.838 7.685 -5.283 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.127 5.339 -5.066 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.741 7.900 -4.277 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.033 5.541 -4.050 1.00 0.00 C ATOM 737 CZ TYR A 47 2.340 6.821 -3.661 1.00 0.00 C ATOM 738 OH TYR A 47 3.253 7.023 -2.658 1.00 0.00 O ATOM 0 H TYR A 47 -0.342 8.492 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 47 1.010 5.876 -8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.332 6.824 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.830 5.148 -6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.366 8.531 -5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.888 4.331 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.982 8.906 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.499 4.698 -3.562 1.00 0.00 H new ATOM 0 HH TYR A 47 3.143 6.332 -1.972 1.00 0.00 H new ATOM 748 N GLY A 48 -1.697 6.769 -9.889 1.00 0.00 N ATOM 749 CA GLY A 48 -2.793 6.339 -10.758 1.00 0.00 C ATOM 750 C GLY A 48 -2.397 5.585 -12.026 1.00 0.00 C ATOM 751 O GLY A 48 -2.196 4.375 -12.014 1.00 0.00 O ATOM 0 H GLY A 48 -1.588 7.780 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.461 5.703 -10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.365 7.220 -11.049 1.00 0.00 H new ATOM 755 N SER A 49 -2.312 6.287 -13.113 1.00 0.00 N ATOM 756 CA SER A 49 -2.058 5.655 -14.387 1.00 0.00 C ATOM 757 C SER A 49 -0.656 5.989 -14.895 1.00 0.00 C ATOM 758 O SER A 49 0.111 5.106 -15.255 1.00 0.00 O ATOM 759 CB SER A 49 -3.137 6.085 -15.401 1.00 0.00 C ATOM 760 OG SER A 49 -3.004 5.411 -16.642 1.00 0.00 O ATOM 0 H SER A 49 -2.414 7.301 -13.152 1.00 0.00 H new ATOM 0 HA SER A 49 -2.106 4.573 -14.262 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.124 5.885 -14.985 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.072 7.161 -15.565 1.00 0.00 H new ATOM 0 HG SER A 49 -3.155 4.452 -16.511 1.00 0.00 H new ATOM 766 N GLY A 50 -0.316 7.254 -14.894 1.00 0.00 N ATOM 767 CA GLY A 50 0.980 7.663 -15.380 1.00 0.00 C ATOM 768 C GLY A 50 1.960 7.850 -14.257 1.00 0.00 C ATOM 769 O GLY A 50 3.074 8.342 -14.459 1.00 0.00 O ATOM 0 H GLY A 50 -0.912 8.013 -14.565 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.361 6.915 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.882 8.595 -15.937 1.00 0.00 H new ATOM 773 N GLY A 51 1.557 7.449 -13.078 1.00 0.00 N ATOM 774 CA GLY A 51 2.385 7.609 -11.924 1.00 0.00 C ATOM 775 C GLY A 51 3.510 6.602 -11.879 1.00 0.00 C ATOM 776 O GLY A 51 3.382 5.486 -12.395 1.00 0.00 O ATOM 0 H GLY A 51 0.655 7.008 -12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.802 8.616 -11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.775 7.509 -11.026 1.00 0.00 H new ATOM 780 N ASP A 52 4.595 6.987 -11.265 1.00 0.00 N ATOM 781 CA ASP A 52 5.766 6.130 -11.128 1.00 0.00 C ATOM 782 C ASP A 52 5.529 5.099 -10.039 1.00 0.00 C ATOM 783 O ASP A 52 6.004 3.963 -10.106 1.00 0.00 O ATOM 784 CB ASP A 52 6.999 6.984 -10.805 1.00 0.00 C ATOM 785 CG ASP A 52 8.242 6.172 -10.549 1.00 0.00 C ATOM 786 OD1 ASP A 52 8.911 5.740 -11.531 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.573 5.956 -9.387 1.00 0.00 O ATOM 0 H ASP A 52 4.704 7.908 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 52 5.942 5.606 -12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.185 7.667 -11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.788 7.596 -9.928 1.00 0.00 H new ATOM 792 N TYR A 53 4.738 5.480 -9.071 1.00 0.00 N ATOM 793 CA TYR A 53 4.422 4.630 -7.951 1.00 0.00 C ATOM 794 C TYR A 53 3.122 3.881 -8.221 1.00 0.00 C ATOM 795 O TYR A 53 2.459 3.410 -7.308 1.00 0.00 O ATOM 796 CB TYR A 53 4.299 5.472 -6.684 1.00 0.00 C ATOM 797 CG TYR A 53 5.551 6.242 -6.341 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.570 5.652 -5.606 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.717 7.556 -6.756 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.717 6.351 -5.295 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.858 8.258 -6.451 1.00 0.00 C ATOM 802 CZ TYR A 53 7.855 7.653 -5.723 1.00 0.00 C ATOM 803 OH TYR A 53 8.994 8.354 -5.417 1.00 0.00 O ATOM 0 H TYR A 53 4.291 6.396 -9.036 1.00 0.00 H new ATOM 0 HA TYR A 53 5.221 3.902 -7.812 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.473 6.174 -6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.044 4.820 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.463 4.630 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.936 8.035 -7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.501 5.881 -4.720 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.971 9.280 -6.781 1.00 0.00 H new ATOM 0 HH TYR A 53 8.934 9.257 -5.794 1.00 0.00 H new ATOM 813 N SER A 54 2.812 3.722 -9.493 1.00 0.00 N ATOM 814 CA SER A 54 1.610 3.040 -9.955 1.00 0.00 C ATOM 815 C SER A 54 1.606 1.562 -9.523 1.00 0.00 C ATOM 816 O SER A 54 0.567 0.920 -9.500 1.00 0.00 O ATOM 817 CB SER A 54 1.533 3.149 -11.484 1.00 0.00 C ATOM 818 OG SER A 54 0.364 2.556 -12.015 1.00 0.00 O ATOM 0 H SER A 54 3.398 4.069 -10.253 1.00 0.00 H new ATOM 0 HA SER A 54 0.738 3.515 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.565 4.200 -11.771 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.409 2.672 -11.923 1.00 0.00 H new ATOM 0 HG SER A 54 -0.380 3.191 -11.956 1.00 0.00 H new ATOM 824 N MET A 55 2.772 1.047 -9.167 1.00 0.00 N ATOM 825 CA MET A 55 2.909 -0.345 -8.754 1.00 0.00 C ATOM 826 C MET A 55 2.408 -0.494 -7.329 1.00 0.00 C ATOM 827 O MET A 55 1.942 -1.558 -6.926 1.00 0.00 O ATOM 828 CB MET A 55 4.368 -0.762 -8.792 1.00 0.00 C ATOM 829 CG MET A 55 5.098 -0.391 -10.066 1.00 0.00 C ATOM 830 SD MET A 55 4.353 -1.064 -11.559 1.00 0.00 S ATOM 831 CE MET A 55 5.453 -0.387 -12.803 1.00 0.00 C ATOM 0 H MET A 55 3.645 1.575 -9.155 1.00 0.00 H new ATOM 0 HA MET A 55 2.331 -0.971 -9.433 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.884 -0.306 -7.947 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.427 -1.842 -8.657 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.135 0.695 -10.148 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.128 -0.740 -9.997 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.128 -0.712 -13.792 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.432 0.702 -12.753 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.468 -0.739 -12.621 1.00 0.00 H new ATOM 841 N PHE A 56 2.510 0.598 -6.585 1.00 0.00 N ATOM 842 CA PHE A 56 2.087 0.671 -5.191 1.00 0.00 C ATOM 843 C PHE A 56 0.579 0.713 -5.132 1.00 0.00 C ATOM 844 O PHE A 56 -0.038 0.146 -4.244 1.00 0.00 O ATOM 845 CB PHE A 56 2.639 1.951 -4.536 1.00 0.00 C ATOM 846 CG PHE A 56 4.131 2.012 -4.326 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.017 1.932 -5.386 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.639 2.157 -3.051 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.376 1.994 -5.174 1.00 0.00 C ATOM 850 CE2 PHE A 56 5.994 2.221 -2.832 1.00 0.00 C ATOM 851 CZ PHE A 56 6.868 2.139 -3.894 1.00 0.00 C ATOM 0 H PHE A 56 2.895 1.474 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 56 2.466 -0.203 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.346 2.802 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.153 2.075 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.638 1.820 -6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.961 2.221 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.057 1.929 -6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.374 2.336 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.934 2.188 -3.725 1.00 0.00 H new ATOM 861 N ALA A 57 0.017 1.421 -6.083 1.00 0.00 N ATOM 862 CA ALA A 57 -1.413 1.584 -6.231 1.00 0.00 C ATOM 863 C ALA A 57 -2.158 0.249 -6.200 1.00 0.00 C ATOM 864 O ALA A 57 -1.955 -0.620 -7.051 1.00 0.00 O ATOM 865 CB ALA A 57 -1.700 2.297 -7.522 1.00 0.00 C ATOM 0 H ALA A 57 0.555 1.914 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.769 2.171 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.777 2.422 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.220 3.276 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.311 1.711 -8.355 1.00 0.00 H new ATOM 871 N GLY A 58 -2.990 0.117 -5.205 1.00 0.00 N ATOM 872 CA GLY A 58 -3.811 -1.037 -4.986 1.00 0.00 C ATOM 873 C GLY A 58 -3.038 -2.296 -4.697 1.00 0.00 C ATOM 874 O GLY A 58 -3.489 -3.392 -5.026 1.00 0.00 O ATOM 0 H GLY A 58 -3.118 0.840 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.484 -0.838 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.433 -1.199 -5.866 1.00 0.00 H new ATOM 878 N LYS A 59 -1.880 -2.170 -4.116 1.00 0.00 N ATOM 879 CA LYS A 59 -1.141 -3.277 -3.769 1.00 0.00 C ATOM 880 C LYS A 59 -0.400 -2.979 -2.477 1.00 0.00 C ATOM 881 O LYS A 59 -0.200 -1.802 -2.132 1.00 0.00 O ATOM 882 CB LYS A 59 -0.166 -3.479 -4.869 1.00 0.00 C ATOM 883 CG LYS A 59 0.542 -4.744 -4.806 1.00 0.00 C ATOM 884 CD LYS A 59 1.500 -4.895 -5.935 1.00 0.00 C ATOM 885 CE LYS A 59 0.865 -4.956 -7.330 1.00 0.00 C ATOM 886 NZ LYS A 59 0.383 -3.646 -7.847 1.00 0.00 N ATOM 0 H LYS A 59 -1.447 -1.276 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.762 -4.161 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.691 -3.415 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.560 -2.667 -4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.080 -4.813 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.176 -5.564 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.201 -4.061 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.081 -5.804 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.595 -5.362 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.027 -5.652 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.721 -3.512 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.657 -3.630 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.748 -2.880 -7.246 1.00 0.00 H new ATOM 900 N ASP A 60 -0.031 -4.005 -1.750 1.00 0.00 N ATOM 901 CA ASP A 60 0.791 -3.818 -0.583 1.00 0.00 C ATOM 902 C ASP A 60 2.230 -3.744 -1.047 1.00 0.00 C ATOM 903 O ASP A 60 2.723 -4.644 -1.739 1.00 0.00 O ATOM 904 CB ASP A 60 0.613 -4.949 0.419 1.00 0.00 C ATOM 905 CG ASP A 60 1.381 -4.716 1.717 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.620 -4.696 1.692 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.744 -4.602 2.795 1.00 0.00 O ATOM 0 H ASP A 60 -0.286 -4.973 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 60 0.499 -2.900 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.447 -5.064 0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.946 -5.884 -0.032 1.00 0.00 H new ATOM 912 N ALA A 61 2.889 -2.684 -0.695 1.00 0.00 N ATOM 913 CA ALA A 61 4.219 -2.429 -1.178 1.00 0.00 C ATOM 914 C ALA A 61 5.264 -2.535 -0.092 1.00 0.00 C ATOM 915 O ALA A 61 6.376 -2.025 -0.266 1.00 0.00 O ATOM 916 CB ALA A 61 4.261 -1.049 -1.803 1.00 0.00 C ATOM 0 H ALA A 61 2.524 -1.969 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 61 4.456 -3.193 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.267 -0.847 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.554 -1.003 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.992 -0.303 -1.055 1.00 0.00 H new ATOM 922 N SER A 62 4.961 -3.256 0.978 1.00 0.00 N ATOM 923 CA SER A 62 5.856 -3.319 2.129 1.00 0.00 C ATOM 924 C SER A 62 7.303 -3.764 1.758 1.00 0.00 C ATOM 925 O SER A 62 8.272 -3.210 2.275 1.00 0.00 O ATOM 926 CB SER A 62 5.269 -4.200 3.231 1.00 0.00 C ATOM 927 OG SER A 62 3.982 -3.751 3.618 1.00 0.00 O ATOM 0 H SER A 62 4.106 -3.804 1.075 1.00 0.00 H new ATOM 0 HA SER A 62 5.942 -2.301 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.207 -5.231 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.933 -4.196 4.095 1.00 0.00 H new ATOM 0 HG SER A 62 3.343 -3.929 2.897 1.00 0.00 H new ATOM 933 N ARG A 63 7.443 -4.735 0.852 1.00 0.00 N ATOM 934 CA ARG A 63 8.782 -5.184 0.439 1.00 0.00 C ATOM 935 C ARG A 63 9.515 -4.082 -0.340 1.00 0.00 C ATOM 936 O ARG A 63 10.689 -3.844 -0.108 1.00 0.00 O ATOM 937 CB ARG A 63 8.740 -6.447 -0.458 1.00 0.00 C ATOM 938 CG ARG A 63 10.150 -6.975 -0.796 1.00 0.00 C ATOM 939 CD ARG A 63 10.197 -7.865 -2.035 1.00 0.00 C ATOM 940 NE ARG A 63 9.377 -9.065 -1.952 1.00 0.00 N ATOM 941 CZ ARG A 63 9.146 -9.887 -3.003 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.755 -9.678 -4.165 1.00 0.00 N ATOM 943 NH2 ARG A 63 8.348 -10.931 -2.869 1.00 0.00 N ATOM 0 H ARG A 63 6.668 -5.218 0.397 1.00 0.00 H new ATOM 0 HA ARG A 63 9.309 -5.422 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.173 -7.229 0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.210 -6.216 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.819 -6.127 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.531 -7.536 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.876 -7.281 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.231 -8.159 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 63 8.954 -9.299 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.400 -8.895 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.577 -10.300 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.903 -11.121 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.177 -11.547 -3.663 1.00 0.00 H new ATOM 957 N ALA A 64 8.786 -3.363 -1.200 1.00 0.00 N ATOM 958 CA ALA A 64 9.398 -2.431 -2.165 1.00 0.00 C ATOM 959 C ALA A 64 9.939 -1.247 -1.448 1.00 0.00 C ATOM 960 O ALA A 64 10.975 -0.691 -1.813 1.00 0.00 O ATOM 961 CB ALA A 64 8.389 -2.001 -3.217 1.00 0.00 C ATOM 0 H ALA A 64 7.768 -3.406 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 64 10.215 -2.943 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.864 -1.314 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.029 -2.878 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.549 -1.503 -2.733 1.00 0.00 H new ATOM 967 N LEU A 65 9.240 -0.887 -0.412 1.00 0.00 N ATOM 968 CA LEU A 65 9.618 0.178 0.461 1.00 0.00 C ATOM 969 C LEU A 65 10.985 -0.133 1.064 1.00 0.00 C ATOM 970 O LEU A 65 11.893 0.690 1.052 1.00 0.00 O ATOM 971 CB LEU A 65 8.643 0.198 1.594 1.00 0.00 C ATOM 972 CG LEU A 65 7.171 0.381 1.302 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.441 0.225 2.577 1.00 0.00 C ATOM 974 CD2 LEU A 65 6.859 1.742 0.748 1.00 0.00 C ATOM 0 H LEU A 65 8.366 -1.341 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 65 9.639 1.121 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.755 -0.740 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.944 0.997 2.271 1.00 0.00 H new ATOM 0 HG LEU A 65 6.876 -0.357 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.373 0.351 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.627 -0.769 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.784 0.977 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.789 1.820 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.155 2.505 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.406 1.890 -0.183 1.00 0.00 H new ATOM 986 N GLY A 66 11.113 -1.357 1.562 1.00 0.00 N ATOM 987 CA GLY A 66 12.320 -1.782 2.223 1.00 0.00 C ATOM 988 C GLY A 66 13.473 -1.976 1.273 1.00 0.00 C ATOM 989 O GLY A 66 14.627 -1.759 1.639 1.00 0.00 O ATOM 0 H GLY A 66 10.385 -2.070 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.596 -1.042 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.129 -2.717 2.750 1.00 0.00 H new ATOM 993 N LYS A 67 13.173 -2.379 0.055 1.00 0.00 N ATOM 994 CA LYS A 67 14.216 -2.585 -0.941 1.00 0.00 C ATOM 995 C LYS A 67 14.687 -1.251 -1.447 1.00 0.00 C ATOM 996 O LYS A 67 15.866 -1.070 -1.764 1.00 0.00 O ATOM 997 CB LYS A 67 13.696 -3.370 -2.162 1.00 0.00 C ATOM 998 CG LYS A 67 12.958 -4.668 -1.875 1.00 0.00 C ATOM 999 CD LYS A 67 13.764 -5.648 -1.049 1.00 0.00 C ATOM 1000 CE LYS A 67 15.053 -6.040 -1.717 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.828 -6.991 -0.890 1.00 0.00 N ATOM 0 H LYS A 67 12.226 -2.570 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 67 15.016 -3.148 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.030 -2.718 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.545 -3.597 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.029 -4.441 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.685 -5.139 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.982 -5.206 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.167 -6.541 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.839 -6.490 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.652 -5.149 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.790 -7.083 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.879 -6.640 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.361 -7.920 -0.900 1.00 0.00 H new ATOM 1015 N MET A 68 13.743 -0.333 -1.504 1.00 0.00 N ATOM 1016 CA MET A 68 13.888 0.962 -2.103 1.00 0.00 C ATOM 1017 C MET A 68 13.926 0.750 -3.575 1.00 0.00 C ATOM 1018 O MET A 68 14.970 0.807 -4.231 1.00 0.00 O ATOM 1019 CB MET A 68 15.064 1.808 -1.574 1.00 0.00 C ATOM 1020 CG MET A 68 15.004 2.041 -0.073 1.00 0.00 C ATOM 1021 SD MET A 68 16.218 3.250 0.519 1.00 0.00 S ATOM 1022 CE MET A 68 15.713 4.723 -0.385 1.00 0.00 C ATOM 0 H MET A 68 12.813 -0.485 -1.113 1.00 0.00 H new ATOM 0 HA MET A 68 13.035 1.579 -1.819 1.00 0.00 H new ATOM 0 HB2 MET A 68 16.002 1.310 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 68 15.070 2.771 -2.085 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.004 2.381 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.166 1.093 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.804 5.596 0.262 1.00 0.00 H new ATOM 0 HE2 MET A 68 16.352 4.851 -1.259 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.677 4.615 -0.706 1.00 0.00 H new ATOM 1032 N SER A 69 12.783 0.357 -4.051 1.00 0.00 N ATOM 1033 CA SER A 69 12.521 -0.015 -5.360 1.00 0.00 C ATOM 1034 C SER A 69 11.048 0.191 -5.511 1.00 0.00 C ATOM 1035 O SER A 69 10.410 0.729 -4.590 1.00 0.00 O ATOM 1036 CB SER A 69 12.905 -1.481 -5.570 1.00 0.00 C ATOM 1037 OG SER A 69 14.292 -1.695 -5.293 1.00 0.00 O ATOM 0 H SER A 69 11.954 0.292 -3.460 1.00 0.00 H new ATOM 0 HA SER A 69 13.087 0.558 -6.094 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.300 -2.115 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.687 -1.774 -6.597 1.00 0.00 H new ATOM 0 HG SER A 69 14.512 -2.640 -5.433 1.00 0.00 H new ATOM 1043 N LYS A 70 10.496 -0.208 -6.600 1.00 0.00 N ATOM 1044 CA LYS A 70 9.141 0.149 -6.888 1.00 0.00 C ATOM 1045 C LYS A 70 8.468 -0.745 -7.917 1.00 0.00 C ATOM 1046 O LYS A 70 7.267 -0.735 -8.013 1.00 0.00 O ATOM 1047 CB LYS A 70 9.119 1.621 -7.293 1.00 0.00 C ATOM 1048 CG LYS A 70 10.322 1.975 -8.140 1.00 0.00 C ATOM 1049 CD LYS A 70 10.353 3.407 -8.580 1.00 0.00 C ATOM 1050 CE LYS A 70 10.526 4.353 -7.391 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.637 5.758 -7.819 1.00 0.00 N ATOM 0 H LYS A 70 10.954 -0.781 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 70 8.546 -0.005 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.205 1.834 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.103 2.246 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.229 1.759 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.335 1.334 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.170 3.555 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.429 3.647 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.678 4.245 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.418 4.073 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.719 6.370 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.480 5.873 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.790 6.024 -8.361 1.00 0.00 H new ATOM 1065 N ASN A 71 9.238 -1.494 -8.704 1.00 0.00 N ATOM 1066 CA ASN A 71 8.631 -2.463 -9.661 1.00 0.00 C ATOM 1067 C ASN A 71 7.850 -3.546 -8.907 1.00 0.00 C ATOM 1068 O ASN A 71 8.252 -3.963 -7.829 1.00 0.00 O ATOM 1069 CB ASN A 71 9.688 -3.110 -10.633 1.00 0.00 C ATOM 1070 CG ASN A 71 10.784 -3.937 -9.986 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.346 -4.838 -10.614 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.049 -3.703 -8.763 1.00 0.00 N ATOM 0 H ASN A 71 10.258 -1.464 -8.712 1.00 0.00 H new ATOM 0 HA ASN A 71 7.941 -1.897 -10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.156 -3.744 -11.343 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.157 -2.311 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.744 -4.268 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.567 -2.950 -8.272 1.00 0.00 H new ATOM 1079 N GLU A 72 6.759 -4.027 -9.507 1.00 0.00 N ATOM 1080 CA GLU A 72 5.841 -5.030 -8.892 1.00 0.00 C ATOM 1081 C GLU A 72 6.541 -6.318 -8.486 1.00 0.00 C ATOM 1082 O GLU A 72 5.995 -7.133 -7.729 1.00 0.00 O ATOM 1083 CB GLU A 72 4.617 -5.306 -9.753 1.00 0.00 C ATOM 1084 CG GLU A 72 3.763 -4.079 -9.977 1.00 0.00 C ATOM 1085 CD GLU A 72 2.537 -4.363 -10.784 1.00 0.00 C ATOM 1086 OE1 GLU A 72 2.663 -4.604 -11.994 1.00 0.00 O ATOM 1087 OE2 GLU A 72 1.431 -4.346 -10.224 1.00 0.00 O ATOM 0 H GLU A 72 6.472 -3.738 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 72 5.489 -4.568 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.939 -5.699 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.014 -6.080 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.469 -3.666 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.356 -3.317 -10.483 1.00 0.00 H new ATOM 1094 N GLU A 73 7.735 -6.482 -8.996 1.00 0.00 N ATOM 1095 CA GLU A 73 8.549 -7.634 -8.816 1.00 0.00 C ATOM 1096 C GLU A 73 8.931 -7.702 -7.353 1.00 0.00 C ATOM 1097 O GLU A 73 9.036 -8.778 -6.766 1.00 0.00 O ATOM 1098 CB GLU A 73 9.783 -7.453 -9.708 1.00 0.00 C ATOM 1099 CG GLU A 73 10.842 -8.518 -9.600 1.00 0.00 C ATOM 1100 CD GLU A 73 10.352 -9.903 -9.955 1.00 0.00 C ATOM 1101 OE1 GLU A 73 10.321 -10.236 -11.157 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.997 -10.679 -9.049 1.00 0.00 O ATOM 0 H GLU A 73 8.180 -5.771 -9.577 1.00 0.00 H new ATOM 0 HA GLU A 73 8.041 -8.560 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.452 -7.403 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.239 -6.491 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.674 -8.258 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.230 -8.530 -8.581 1.00 0.00 H new ATOM 1109 N ASP A 74 9.081 -6.536 -6.764 1.00 0.00 N ATOM 1110 CA ASP A 74 9.390 -6.425 -5.375 1.00 0.00 C ATOM 1111 C ASP A 74 8.312 -5.731 -4.555 1.00 0.00 C ATOM 1112 O ASP A 74 8.490 -5.495 -3.367 1.00 0.00 O ATOM 1113 CB ASP A 74 10.769 -5.840 -5.101 1.00 0.00 C ATOM 1114 CG ASP A 74 11.179 -4.652 -5.914 1.00 0.00 C ATOM 1115 OD1 ASP A 74 10.542 -3.593 -5.820 1.00 0.00 O ATOM 1116 OD2 ASP A 74 12.171 -4.780 -6.687 1.00 0.00 O ATOM 0 H ASP A 74 8.990 -5.642 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 74 9.416 -7.459 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.815 -5.562 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.507 -6.627 -5.256 1.00 0.00 H new ATOM 1121 N VAL A 75 7.190 -5.439 -5.155 1.00 0.00 N ATOM 1122 CA VAL A 75 6.078 -4.874 -4.402 1.00 0.00 C ATOM 1123 C VAL A 75 5.298 -6.053 -3.810 1.00 0.00 C ATOM 1124 O VAL A 75 4.569 -6.749 -4.525 1.00 0.00 O ATOM 1125 CB VAL A 75 5.155 -3.998 -5.313 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.084 -3.292 -4.533 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.954 -2.978 -6.037 1.00 0.00 C ATOM 0 H VAL A 75 7.012 -5.577 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 75 6.448 -4.215 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 75 4.680 -4.682 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.471 -2.698 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.458 -4.027 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.544 -2.638 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.295 -2.379 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.457 -2.332 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.698 -3.474 -6.661 1.00 0.00 H new ATOM 1137 N SER A 76 5.499 -6.308 -2.528 1.00 0.00 N ATOM 1138 CA SER A 76 4.939 -7.480 -1.891 1.00 0.00 C ATOM 1139 C SER A 76 4.699 -7.232 -0.386 1.00 0.00 C ATOM 1140 O SER A 76 5.464 -6.503 0.254 1.00 0.00 O ATOM 1141 CB SER A 76 5.925 -8.643 -2.100 1.00 0.00 C ATOM 1142 OG SER A 76 5.445 -9.874 -1.553 1.00 0.00 O ATOM 0 H SER A 76 6.049 -5.713 -1.908 1.00 0.00 H new ATOM 0 HA SER A 76 3.972 -7.718 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.110 -8.771 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.880 -8.392 -1.639 1.00 0.00 H new ATOM 0 HG SER A 76 6.164 -10.311 -1.051 1.00 0.00 H new ATOM 1148 N PRO A 77 3.624 -7.826 0.180 1.00 0.00 N ATOM 1149 CA PRO A 77 3.268 -7.677 1.604 1.00 0.00 C ATOM 1150 C PRO A 77 4.008 -8.632 2.557 1.00 0.00 C ATOM 1151 O PRO A 77 4.104 -8.372 3.763 1.00 0.00 O ATOM 1152 CB PRO A 77 1.781 -8.052 1.614 1.00 0.00 C ATOM 1153 CG PRO A 77 1.618 -9.022 0.498 1.00 0.00 C ATOM 1154 CD PRO A 77 2.628 -8.644 -0.552 1.00 0.00 C ATOM 0 HA PRO A 77 3.524 -6.677 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.493 -8.496 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.152 -7.174 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.783 -10.042 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.606 -8.982 0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.088 -9.526 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.167 -8.080 -1.363 1.00 0.00 H new ATOM 1162 N SER A 78 4.534 -9.707 2.020 1.00 0.00 N ATOM 1163 CA SER A 78 5.066 -10.805 2.828 1.00 0.00 C ATOM 1164 C SER A 78 6.219 -10.440 3.685 1.00 0.00 C ATOM 1165 O SER A 78 6.241 -10.851 4.857 1.00 0.00 O ATOM 1166 CB SER A 78 5.371 -12.020 1.979 1.00 0.00 C ATOM 1167 OG SER A 78 5.732 -13.143 2.772 1.00 0.00 O ATOM 0 H SER A 78 4.610 -9.856 1.014 1.00 0.00 H new ATOM 0 HA SER A 78 4.265 -11.057 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.499 -12.268 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.182 -11.787 1.289 1.00 0.00 H new ATOM 0 HG SER A 78 5.920 -13.908 2.189 1.00 0.00 H new ATOM 1173 N LEU A 79 7.172 -9.695 3.144 1.00 0.00 N ATOM 1174 CA LEU A 79 8.363 -9.332 3.893 1.00 0.00 C ATOM 1175 C LEU A 79 9.197 -10.589 4.084 1.00 0.00 C ATOM 1176 O LEU A 79 9.952 -10.762 5.050 1.00 0.00 O ATOM 1177 CB LEU A 79 7.974 -8.660 5.213 1.00 0.00 C ATOM 1178 CG LEU A 79 7.182 -7.364 5.086 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.183 -6.557 6.380 1.00 0.00 C ATOM 1180 CD2 LEU A 79 7.662 -6.556 3.912 1.00 0.00 C ATOM 0 H LEU A 79 7.143 -9.332 2.191 1.00 0.00 H new ATOM 0 HA LEU A 79 8.965 -8.601 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.388 -9.367 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.884 -8.455 5.777 1.00 0.00 H new ATOM 0 HG LEU A 79 6.142 -7.632 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.606 -5.643 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.736 -7.149 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.208 -6.301 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.082 -5.636 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.716 -6.311 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.537 -7.134 2.997 1.00 0.00 H new ATOM 1192 N GLU A 80 9.083 -11.383 3.058 1.00 0.00 N ATOM 1193 CA GLU A 80 9.620 -12.697 2.888 1.00 0.00 C ATOM 1194 C GLU A 80 11.137 -12.815 3.111 1.00 0.00 C ATOM 1195 O GLU A 80 11.576 -13.454 4.069 1.00 0.00 O ATOM 1196 CB GLU A 80 9.215 -13.233 1.489 1.00 0.00 C ATOM 1197 CG GLU A 80 9.441 -12.251 0.298 1.00 0.00 C ATOM 1198 CD GLU A 80 8.427 -11.104 0.202 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.371 -11.275 -0.429 1.00 0.00 O ATOM 1200 OE2 GLU A 80 8.691 -10.016 0.722 1.00 0.00 O ATOM 0 H GLU A 80 8.555 -11.092 2.235 1.00 0.00 H new ATOM 0 HA GLU A 80 9.187 -13.312 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.776 -14.147 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.160 -13.506 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.441 -11.826 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.413 -12.819 -0.632 1.00 0.00 H new ATOM 1207 N GLY A 81 11.921 -12.200 2.254 1.00 0.00 N ATOM 1208 CA GLY A 81 13.351 -12.344 2.326 1.00 0.00 C ATOM 1209 C GLY A 81 13.998 -11.040 2.641 1.00 0.00 C ATOM 1210 O GLY A 81 14.716 -10.472 1.815 1.00 0.00 O ATOM 0 H GLY A 81 11.590 -11.597 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.609 -13.077 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.731 -12.724 1.378 1.00 0.00 H new ATOM 1214 N LEU A 82 13.743 -10.554 3.822 1.00 0.00 N ATOM 1215 CA LEU A 82 14.201 -9.273 4.234 1.00 0.00 C ATOM 1216 C LEU A 82 14.722 -9.321 5.644 1.00 0.00 C ATOM 1217 O LEU A 82 14.017 -9.766 6.564 1.00 0.00 O ATOM 1218 CB LEU A 82 13.043 -8.285 4.148 1.00 0.00 C ATOM 1219 CG LEU A 82 12.471 -8.050 2.758 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.268 -7.177 2.841 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.477 -7.357 1.921 1.00 0.00 C ATOM 0 H LEU A 82 13.202 -11.050 4.531 1.00 0.00 H new ATOM 0 HA LEU A 82 15.014 -8.958 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.240 -8.639 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.377 -7.328 4.549 1.00 0.00 H new ATOM 0 HG LEU A 82 12.206 -9.014 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.866 -7.015 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.512 -7.657 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.544 -6.219 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.068 -7.188 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.731 -6.400 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.374 -7.972 1.845 1.00 0.00 H new ATOM 1233 N THR A 83 15.940 -8.875 5.815 1.00 0.00 N ATOM 1234 CA THR A 83 16.547 -8.769 7.113 1.00 0.00 C ATOM 1235 C THR A 83 15.995 -7.525 7.799 1.00 0.00 C ATOM 1236 O THR A 83 15.220 -6.775 7.185 1.00 0.00 O ATOM 1237 CB THR A 83 18.073 -8.636 6.967 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.371 -7.532 6.097 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.671 -9.906 6.391 1.00 0.00 C ATOM 0 H THR A 83 16.542 -8.573 5.049 1.00 0.00 H new ATOM 0 HA THR A 83 16.325 -9.659 7.702 1.00 0.00 H new ATOM 0 HB THR A 83 18.505 -8.464 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.342 -7.443 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.751 -9.789 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.453 -10.744 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.239 -10.098 5.409 1.00 0.00 H new ATOM 1247 N GLU A 84 16.383 -7.275 9.037 1.00 0.00 N ATOM 1248 CA GLU A 84 15.891 -6.100 9.731 1.00 0.00 C ATOM 1249 C GLU A 84 16.333 -4.835 9.063 1.00 0.00 C ATOM 1250 O GLU A 84 15.641 -3.871 9.112 1.00 0.00 O ATOM 1251 CB GLU A 84 16.233 -6.107 11.195 1.00 0.00 C ATOM 1252 CG GLU A 84 15.593 -7.251 11.908 1.00 0.00 C ATOM 1253 CD GLU A 84 15.899 -7.285 13.373 1.00 0.00 C ATOM 1254 OE1 GLU A 84 16.923 -7.883 13.754 1.00 0.00 O ATOM 1255 OE2 GLU A 84 15.105 -6.732 14.171 1.00 0.00 O ATOM 0 H GLU A 84 17.025 -7.858 9.574 1.00 0.00 H new ATOM 0 HA GLU A 84 14.803 -6.138 9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.315 -6.163 11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.910 -5.170 11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.513 -7.196 11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.925 -8.184 11.453 1.00 0.00 H new ATOM 1262 N LYS A 85 17.487 -4.862 8.423 1.00 0.00 N ATOM 1263 CA LYS A 85 17.965 -3.724 7.633 1.00 0.00 C ATOM 1264 C LYS A 85 16.900 -3.336 6.609 1.00 0.00 C ATOM 1265 O LYS A 85 16.445 -2.187 6.534 1.00 0.00 O ATOM 1266 CB LYS A 85 19.182 -4.155 6.844 1.00 0.00 C ATOM 1267 CG LYS A 85 19.679 -3.098 5.881 1.00 0.00 C ATOM 1268 CD LYS A 85 20.610 -3.697 4.852 1.00 0.00 C ATOM 1269 CE LYS A 85 21.844 -4.337 5.493 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.645 -3.361 6.262 1.00 0.00 N ATOM 0 H LYS A 85 18.120 -5.662 8.430 1.00 0.00 H new ATOM 0 HA LYS A 85 18.190 -2.895 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.984 -4.410 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.942 -5.060 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.831 -2.629 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.197 -2.313 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.073 -4.448 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.926 -2.921 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.530 -5.146 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.465 -4.782 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.544 -3.799 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.839 -2.528 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.117 -3.069 7.109 1.00 0.00 H new ATOM 1284 N GLU A 86 16.504 -4.329 5.863 1.00 0.00 N ATOM 1285 CA GLU A 86 15.558 -4.224 4.811 1.00 0.00 C ATOM 1286 C GLU A 86 14.202 -3.815 5.347 1.00 0.00 C ATOM 1287 O GLU A 86 13.598 -2.842 4.899 1.00 0.00 O ATOM 1288 CB GLU A 86 15.467 -5.594 4.197 1.00 0.00 C ATOM 1289 CG GLU A 86 16.696 -6.044 3.429 1.00 0.00 C ATOM 1290 CD GLU A 86 16.993 -5.169 2.236 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.454 -5.433 1.145 1.00 0.00 O ATOM 1292 OE2 GLU A 86 17.784 -4.217 2.359 1.00 0.00 O ATOM 0 H GLU A 86 16.856 -5.278 5.987 1.00 0.00 H new ATOM 0 HA GLU A 86 15.863 -3.470 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.269 -6.316 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.610 -5.616 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.557 -6.043 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.553 -7.071 3.094 1.00 0.00 H new ATOM 1299 N ILE A 87 13.768 -4.548 6.322 1.00 0.00 N ATOM 1300 CA ILE A 87 12.504 -4.348 6.978 1.00 0.00 C ATOM 1301 C ILE A 87 12.411 -2.947 7.622 1.00 0.00 C ATOM 1302 O ILE A 87 11.427 -2.228 7.428 1.00 0.00 O ATOM 1303 CB ILE A 87 12.316 -5.443 8.034 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.099 -6.806 7.391 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.201 -5.122 8.996 1.00 0.00 C ATOM 1306 CD1 ILE A 87 10.833 -6.904 6.601 1.00 0.00 C ATOM 0 H ILE A 87 14.299 -5.332 6.701 1.00 0.00 H new ATOM 0 HA ILE A 87 11.708 -4.409 6.235 1.00 0.00 H new ATOM 0 HB ILE A 87 13.241 -5.482 8.610 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.943 -7.028 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.090 -7.568 8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 87 11.106 -5.927 9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.424 -4.189 9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.265 -5.018 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.747 -7.903 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.981 -6.715 7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.847 -6.166 5.799 1.00 0.00 H new ATOM 1318 N ASN A 88 13.451 -2.565 8.353 1.00 0.00 N ATOM 1319 CA ASN A 88 13.530 -1.255 9.023 1.00 0.00 C ATOM 1320 C ASN A 88 13.396 -0.132 8.069 1.00 0.00 C ATOM 1321 O ASN A 88 12.846 0.915 8.400 1.00 0.00 O ATOM 1322 CB ASN A 88 14.812 -1.119 9.840 1.00 0.00 C ATOM 1323 CG ASN A 88 14.699 -1.797 11.197 1.00 0.00 C ATOM 1324 OD1 ASN A 88 13.633 -1.783 11.806 1.00 0.00 O ATOM 1325 ND2 ASN A 88 15.749 -2.466 11.647 1.00 0.00 N ATOM 0 H ASN A 88 14.272 -3.152 8.504 1.00 0.00 H new ATOM 0 HA ASN A 88 12.684 -1.205 9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.643 -1.555 9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.042 -0.063 9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.685 -2.988 12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.622 -2.460 11.120 1.00 0.00 H new ATOM 1332 N THR A 89 13.878 -0.347 6.887 1.00 0.00 N ATOM 1333 CA THR A 89 13.783 0.625 5.867 1.00 0.00 C ATOM 1334 C THR A 89 12.299 0.901 5.512 1.00 0.00 C ATOM 1335 O THR A 89 11.894 2.052 5.397 1.00 0.00 O ATOM 1336 CB THR A 89 14.569 0.178 4.627 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.942 -0.074 4.997 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.535 1.251 3.583 1.00 0.00 C ATOM 0 H THR A 89 14.349 -1.208 6.609 1.00 0.00 H new ATOM 0 HA THR A 89 14.221 1.554 6.232 1.00 0.00 H new ATOM 0 HB THR A 89 14.116 -0.729 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.021 -0.979 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.095 0.924 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.502 1.450 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.983 2.161 3.982 1.00 0.00 H new ATOM 1346 N LEU A 90 11.479 -0.159 5.430 1.00 0.00 N ATOM 1347 CA LEU A 90 10.084 0.007 5.021 1.00 0.00 C ATOM 1348 C LEU A 90 9.357 0.637 6.169 1.00 0.00 C ATOM 1349 O LEU A 90 8.438 1.391 5.995 1.00 0.00 O ATOM 1350 CB LEU A 90 9.432 -1.341 4.667 1.00 0.00 C ATOM 1351 CG LEU A 90 8.529 -1.966 5.725 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.068 -1.517 5.599 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.654 -3.427 5.753 1.00 0.00 C ATOM 0 H LEU A 90 11.754 -1.119 5.638 1.00 0.00 H new ATOM 0 HA LEU A 90 10.036 0.630 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.847 -1.207 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.225 -2.052 4.434 1.00 0.00 H new ATOM 0 HG LEU A 90 8.879 -1.593 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.472 -1.994 6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.009 -0.434 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.682 -1.804 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.995 -3.834 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.375 -3.835 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.685 -3.700 5.979 1.00 0.00 H new ATOM 1365 N ASN A 91 9.782 0.268 7.357 1.00 0.00 N ATOM 1366 CA ASN A 91 9.252 0.811 8.587 1.00 0.00 C ATOM 1367 C ASN A 91 9.345 2.339 8.618 1.00 0.00 C ATOM 1368 O ASN A 91 8.462 3.015 9.157 1.00 0.00 O ATOM 1369 CB ASN A 91 9.940 0.168 9.788 1.00 0.00 C ATOM 1370 CG ASN A 91 9.529 -1.286 10.000 1.00 0.00 C ATOM 1371 OD1 ASN A 91 8.400 -1.681 9.689 1.00 0.00 O ATOM 1372 ND2 ASN A 91 10.430 -2.096 10.523 1.00 0.00 N ATOM 0 H ASN A 91 10.515 -0.427 7.497 1.00 0.00 H new ATOM 0 HA ASN A 91 8.191 0.568 8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.020 0.219 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.705 0.741 10.685 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.203 -3.078 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.354 -1.740 10.769 1.00 0.00 H new ATOM 1379 N ASP A 92 10.403 2.874 8.025 1.00 0.00 N ATOM 1380 CA ASP A 92 10.540 4.325 7.858 1.00 0.00 C ATOM 1381 C ASP A 92 9.514 4.793 6.837 1.00 0.00 C ATOM 1382 O ASP A 92 8.754 5.721 7.081 1.00 0.00 O ATOM 1383 CB ASP A 92 11.949 4.680 7.363 1.00 0.00 C ATOM 1384 CG ASP A 92 12.147 6.171 7.140 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.534 6.879 8.102 1.00 0.00 O ATOM 1386 OD2 ASP A 92 11.932 6.663 5.995 1.00 0.00 O ATOM 0 H ASP A 92 11.181 2.331 7.650 1.00 0.00 H new ATOM 0 HA ASP A 92 10.376 4.816 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.682 4.327 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.144 4.151 6.430 1.00 0.00 H new ATOM 1391 N TRP A 93 9.482 4.081 5.719 1.00 0.00 N ATOM 1392 CA TRP A 93 8.584 4.311 4.595 1.00 0.00 C ATOM 1393 C TRP A 93 7.125 4.343 4.997 1.00 0.00 C ATOM 1394 O TRP A 93 6.384 5.241 4.588 1.00 0.00 O ATOM 1395 CB TRP A 93 8.852 3.234 3.549 1.00 0.00 C ATOM 1396 CG TRP A 93 9.993 3.528 2.608 1.00 0.00 C ATOM 1397 CD1 TRP A 93 11.313 3.325 2.840 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.911 4.069 1.275 1.00 0.00 C ATOM 1399 NE1 TRP A 93 12.060 3.712 1.758 1.00 0.00 N ATOM 1400 CE2 TRP A 93 11.225 4.164 0.780 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.859 4.479 0.460 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.511 4.652 -0.493 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.142 4.962 -0.804 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.458 5.043 -1.269 1.00 0.00 C ATOM 0 H TRP A 93 10.109 3.292 5.564 1.00 0.00 H new ATOM 0 HA TRP A 93 8.786 5.300 4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 93 9.057 2.294 4.062 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.946 3.086 2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.720 2.915 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 93 13.077 3.669 1.695 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.839 4.421 0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.527 4.719 -0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.333 5.282 -1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.645 5.423 -2.263 1.00 0.00 H new ATOM 1415 N GLU A 94 6.734 3.400 5.799 1.00 0.00 N ATOM 1416 CA GLU A 94 5.386 3.279 6.281 1.00 0.00 C ATOM 1417 C GLU A 94 4.960 4.574 6.979 1.00 0.00 C ATOM 1418 O GLU A 94 3.960 5.171 6.637 1.00 0.00 O ATOM 1419 CB GLU A 94 5.325 2.138 7.266 1.00 0.00 C ATOM 1420 CG GLU A 94 3.936 1.792 7.686 1.00 0.00 C ATOM 1421 CD GLU A 94 3.917 0.791 8.806 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.133 1.203 9.969 1.00 0.00 O ATOM 1423 OE2 GLU A 94 3.699 -0.404 8.570 1.00 0.00 O ATOM 0 H GLU A 94 7.358 2.672 6.147 1.00 0.00 H new ATOM 0 HA GLU A 94 4.715 3.091 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 94 5.792 1.259 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.909 2.398 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.417 2.697 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.389 1.391 6.833 1.00 0.00 H new ATOM 1430 N THR A 95 5.777 4.999 7.923 1.00 0.00 N ATOM 1431 CA THR A 95 5.590 6.194 8.721 1.00 0.00 C ATOM 1432 C THR A 95 5.478 7.456 7.839 1.00 0.00 C ATOM 1433 O THR A 95 4.816 8.440 8.197 1.00 0.00 O ATOM 1434 CB THR A 95 6.812 6.332 9.643 1.00 0.00 C ATOM 1435 OG1 THR A 95 6.995 5.081 10.347 1.00 0.00 O ATOM 1436 CG2 THR A 95 6.614 7.447 10.664 1.00 0.00 C ATOM 0 H THR A 95 6.630 4.496 8.166 1.00 0.00 H new ATOM 0 HA THR A 95 4.664 6.104 9.289 1.00 0.00 H new ATOM 0 HB THR A 95 7.684 6.575 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.617 4.512 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.496 7.518 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.464 8.393 10.145 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.740 7.227 11.278 1.00 0.00 H new ATOM 1444 N LYS A 96 6.107 7.412 6.690 1.00 0.00 N ATOM 1445 CA LYS A 96 6.136 8.532 5.794 1.00 0.00 C ATOM 1446 C LYS A 96 4.814 8.639 5.093 1.00 0.00 C ATOM 1447 O LYS A 96 4.261 9.713 4.937 1.00 0.00 O ATOM 1448 CB LYS A 96 7.329 8.403 4.853 1.00 0.00 C ATOM 1449 CG LYS A 96 8.646 8.360 5.631 1.00 0.00 C ATOM 1450 CD LYS A 96 8.944 9.688 6.310 1.00 0.00 C ATOM 1451 CE LYS A 96 10.167 9.615 7.223 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.403 9.239 6.515 1.00 0.00 N ATOM 0 H LYS A 96 6.614 6.593 6.353 1.00 0.00 H new ATOM 0 HA LYS A 96 6.276 9.467 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.227 7.497 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.341 9.244 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.600 7.571 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.461 8.108 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.106 10.453 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.077 9.997 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.312 10.583 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.977 8.892 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.197 9.224 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.288 8.295 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.598 9.932 5.764 1.00 0.00 H new ATOM 1466 N PHE A 97 4.295 7.508 4.723 1.00 0.00 N ATOM 1467 CA PHE A 97 2.980 7.415 4.151 1.00 0.00 C ATOM 1468 C PHE A 97 1.934 7.725 5.216 1.00 0.00 C ATOM 1469 O PHE A 97 0.984 8.444 4.968 1.00 0.00 O ATOM 1470 CB PHE A 97 2.778 6.029 3.564 1.00 0.00 C ATOM 1471 CG PHE A 97 3.455 5.804 2.232 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.825 5.940 2.090 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.713 5.439 1.123 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.439 5.722 0.876 1.00 0.00 C ATOM 1475 CE2 PHE A 97 3.324 5.221 -0.096 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.690 5.362 -0.218 1.00 0.00 C ATOM 0 H PHE A 97 4.775 6.612 4.809 1.00 0.00 H new ATOM 0 HA PHE A 97 2.871 8.144 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.149 5.290 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.709 5.850 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.422 6.222 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.643 5.323 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.509 5.834 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.732 4.940 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.170 5.190 -1.170 1.00 0.00 H new ATOM 1486 N GLU A 98 2.174 7.210 6.404 1.00 0.00 N ATOM 1487 CA GLU A 98 1.345 7.414 7.598 1.00 0.00 C ATOM 1488 C GLU A 98 1.122 8.887 7.956 1.00 0.00 C ATOM 1489 O GLU A 98 0.094 9.235 8.543 1.00 0.00 O ATOM 1490 CB GLU A 98 1.998 6.689 8.778 1.00 0.00 C ATOM 1491 CG GLU A 98 1.676 5.217 8.903 1.00 0.00 C ATOM 1492 CD GLU A 98 0.238 4.969 9.259 1.00 0.00 C ATOM 1493 OE1 GLU A 98 -0.301 5.682 10.142 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.343 4.016 8.756 1.00 0.00 O ATOM 0 H GLU A 98 2.981 6.613 6.583 1.00 0.00 H new ATOM 0 HA GLU A 98 0.359 7.007 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.079 6.800 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.696 7.188 9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.905 4.718 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.317 4.772 9.664 1.00 0.00 H new ATOM 1501 N ALA A 99 2.052 9.746 7.612 1.00 0.00 N ATOM 1502 CA ALA A 99 1.925 11.136 7.987 1.00 0.00 C ATOM 1503 C ALA A 99 1.612 12.022 6.805 1.00 0.00 C ATOM 1504 O ALA A 99 1.223 13.175 6.973 1.00 0.00 O ATOM 1505 CB ALA A 99 3.174 11.615 8.681 1.00 0.00 C ATOM 0 H ALA A 99 2.892 9.514 7.082 1.00 0.00 H new ATOM 0 HA ALA A 99 1.084 11.204 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.058 12.664 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.341 11.021 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.027 11.507 8.011 1.00 0.00 H new ATOM 1511 N LYS A 100 1.760 11.501 5.618 1.00 0.00 N ATOM 1512 CA LYS A 100 1.554 12.300 4.440 1.00 0.00 C ATOM 1513 C LYS A 100 0.252 11.946 3.784 1.00 0.00 C ATOM 1514 O LYS A 100 -0.473 12.815 3.296 1.00 0.00 O ATOM 1515 CB LYS A 100 2.747 12.203 3.463 1.00 0.00 C ATOM 1516 CG LYS A 100 3.980 13.065 3.808 1.00 0.00 C ATOM 1517 CD LYS A 100 4.590 12.765 5.166 1.00 0.00 C ATOM 1518 CE LYS A 100 5.828 13.601 5.391 1.00 0.00 C ATOM 1519 NZ LYS A 100 6.440 13.347 6.717 1.00 0.00 N ATOM 0 H LYS A 100 2.021 10.531 5.440 1.00 0.00 H new ATOM 0 HA LYS A 100 1.496 13.344 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.062 11.161 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.400 12.484 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.739 12.916 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.695 14.117 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.861 12.967 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.843 11.707 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.557 13.387 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.572 14.657 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.286 13.942 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.755 13.576 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.709 12.345 6.789 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.071 10.689 3.807 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.294 10.219 3.258 1.00 0.00 C ATOM 1535 C TYR A 101 -2.215 9.779 4.377 1.00 0.00 C ATOM 1536 O TYR A 101 -1.756 9.265 5.404 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.042 9.061 2.294 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.212 9.424 1.084 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -0.541 10.528 0.307 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.903 8.675 0.725 1.00 0.00 C ATOM 1541 CE1 TYR A 101 0.209 10.878 -0.790 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.665 9.021 -0.376 1.00 0.00 C ATOM 1543 CZ TYR A 101 1.309 10.129 -1.132 1.00 0.00 C ATOM 1544 OH TYR A 101 2.060 10.495 -2.226 1.00 0.00 O ATOM 0 H TYR A 101 0.515 9.959 4.212 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.765 11.028 2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.542 8.257 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.002 8.670 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -1.403 11.123 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.178 7.812 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.065 11.739 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.530 8.434 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 101 2.804 9.867 -2.337 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.515 10.005 4.234 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.460 9.571 5.218 1.00 0.00 C ATOM 1556 C PRO A 102 -4.705 8.080 5.108 1.00 0.00 C ATOM 1557 O PRO A 102 -5.050 7.565 4.031 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.724 10.356 4.903 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.630 10.686 3.464 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.163 10.707 3.108 1.00 0.00 C ATOM 0 HA PRO A 102 -4.110 9.744 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.616 9.766 5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.788 11.259 5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.161 9.947 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.090 11.653 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.974 10.202 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.791 11.726 3.005 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.483 7.389 6.189 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.728 5.976 6.226 1.00 0.00 C ATOM 1570 C VAL A 103 -6.232 5.744 6.383 1.00 0.00 C ATOM 1571 O VAL A 103 -6.808 5.812 7.469 1.00 0.00 O ATOM 1572 CB VAL A 103 -3.846 5.220 7.286 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.079 5.685 8.699 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.992 3.718 7.180 1.00 0.00 C ATOM 0 H VAL A 103 -4.131 7.784 7.061 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.412 5.533 5.282 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.816 5.478 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.439 5.122 9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.844 6.747 8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.123 5.524 8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.365 3.238 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.033 3.441 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.683 3.392 6.187 1.00 0.00 H new ATOM 1584 N VAL A 104 -6.853 5.546 5.265 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.283 5.478 5.163 1.00 0.00 C ATOM 1586 C VAL A 104 -8.805 4.065 5.225 1.00 0.00 C ATOM 1587 O VAL A 104 -10.017 3.842 5.133 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.774 6.144 3.859 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.423 7.623 3.849 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.184 5.451 2.631 1.00 0.00 C ATOM 0 H VAL A 104 -6.372 5.424 4.374 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.674 6.018 6.025 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.858 6.042 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.777 8.075 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.898 8.115 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.342 7.741 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.547 5.941 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.096 5.513 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.488 4.404 2.623 1.00 0.00 H new ATOM 1600 N GLY A 105 -7.932 3.112 5.383 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.407 1.784 5.438 1.00 0.00 C ATOM 1602 C GLY A 105 -7.411 0.767 5.898 1.00 0.00 C ATOM 1603 O GLY A 105 -6.270 1.079 6.253 1.00 0.00 O ATOM 0 H GLY A 105 -6.923 3.234 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.269 1.751 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.760 1.500 4.446 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.874 -0.434 5.880 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.178 -1.638 6.233 1.00 0.00 C ATOM 1609 C ARG A 106 -7.411 -2.621 5.141 1.00 0.00 C ATOM 1610 O ARG A 106 -8.526 -2.847 4.779 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.824 -2.189 7.493 1.00 0.00 C ATOM 1612 CG ARG A 106 -7.571 -3.679 7.809 1.00 0.00 C ATOM 1613 CD ARG A 106 -6.136 -3.983 8.088 1.00 0.00 C ATOM 1614 NE ARG A 106 -5.669 -3.239 9.234 1.00 0.00 N ATOM 1615 CZ ARG A 106 -4.446 -3.365 9.772 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -3.573 -4.216 9.243 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -4.103 -2.647 10.835 1.00 0.00 N ATOM 0 H ARG A 106 -8.834 -0.623 5.593 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.114 -1.454 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.476 -1.598 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.901 -2.035 7.418 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.172 -3.969 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.908 -4.285 6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.014 -5.051 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.531 -3.735 7.216 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.312 -2.573 9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.833 -4.773 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.643 -4.312 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.771 -1.995 11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.172 -2.747 11.239 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.395 -3.185 4.623 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.572 -4.209 3.657 1.00 0.00 C ATOM 1633 C VAL A 107 -6.240 -5.534 4.297 1.00 0.00 C ATOM 1634 O VAL A 107 -5.231 -5.677 5.003 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.755 -3.977 2.365 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -4.308 -3.980 2.645 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -6.094 -4.992 1.299 1.00 0.00 C ATOM 0 H VAL A 107 -5.426 -2.960 4.847 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.614 -4.201 3.336 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.028 -2.993 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.758 -3.815 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.073 -3.186 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.022 -4.942 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.499 -4.795 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.875 -5.994 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.153 -4.920 1.052 1.00 0.00 H new ATOM 1647 N VAL A 108 -7.105 -6.453 4.124 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.961 -7.749 4.663 1.00 0.00 C ATOM 1649 C VAL A 108 -6.738 -8.686 3.531 1.00 0.00 C ATOM 1650 O VAL A 108 -7.274 -8.491 2.443 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.191 -8.123 5.511 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.378 -7.037 6.515 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.448 -8.241 4.678 1.00 0.00 C ATOM 0 H VAL A 108 -7.962 -6.323 3.586 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.107 -7.800 5.338 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.019 -9.094 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.243 -7.263 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.488 -6.963 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.540 -6.090 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.287 -8.506 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.652 -7.288 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.312 -9.014 3.922 1.00 0.00 H new ATOM 1663 N SER A 109 -5.951 -9.652 3.734 1.00 0.00 N ATOM 1664 CA SER A 109 -5.555 -10.458 2.661 1.00 0.00 C ATOM 1665 C SER A 109 -5.553 -11.928 3.055 1.00 0.00 C ATOM 1666 O SER A 109 -4.534 -12.426 3.565 1.00 0.00 O ATOM 1667 CB SER A 109 -4.161 -9.962 2.249 1.00 0.00 C ATOM 1668 OG SER A 109 -3.558 -10.729 1.217 1.00 0.00 O ATOM 1669 OXT SER A 109 -6.587 -12.592 2.875 1.00 0.00 O ATOM 0 H SER A 109 -5.562 -9.909 4.641 1.00 0.00 H new ATOM 0 HA SER A 109 -6.248 -10.384 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.238 -8.926 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.510 -9.972 3.123 1.00 0.00 H new ATOM 0 HG SER A 109 -2.677 -10.357 1.005 1.00 0.00 H new TER 1675 SER A 109