USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 918 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 80 GLN : amide:sc= -2.88 K(o=-1.1,f=-1.8!) USER MOD Set 1.2: A 82 THR OG1 : rot 179:sc= 1.76 USER MOD Set 2.1: A 30 GLN : amide:sc= -2.67 K(o=-4.4,f=-7.5!) USER MOD Set 2.2: A 32 MET CE :methyl -138:sc= -1.76 (180deg=-4.76!) USER MOD Set 3.1: A 27 TYR OH : rot -31:sc= 0.774 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 156:sc= 1.01 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.369 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.028) USER MOD Single : A 9 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.217) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.151) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 41 THR OG1 : rot -147:sc= -3.15! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.51) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.191) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 113:sc= -6.69! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 135:sc= 0.951 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.927) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 157:sc= -3.26! (180deg=-4.44!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0198) USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= -0.353 (180deg=-1.45!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -1 USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.383) USER MOD Single : A 98 MET CE :methyl 171:sc= 0 (180deg=-0.125) USER MOD Single : A 100 ASN : amide:sc= -0.633 K(o=-0.63,f=-5.2!) USER MOD Single : A 106 GLN : amide:sc= -7.77! C(o=-7.8!,f=-12!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.864 -11.344 -21.895 1.00 0.00 N ATOM 2 CA ALA A 1 -10.726 -11.233 -20.690 1.00 0.00 C ATOM 3 C ALA A 1 -10.245 -10.113 -19.774 1.00 0.00 C ATOM 4 O ALA A 1 -10.950 -9.127 -19.560 1.00 0.00 O ATOM 5 CB ALA A 1 -10.754 -12.555 -19.937 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.213 -12.113 -22.502 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.889 -10.448 -22.423 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.886 -11.548 -21.605 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.737 -10.992 -21.018 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.389 -12.459 -19.057 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.150 -13.335 -20.587 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.743 -12.819 -19.628 1.00 0.00 H new ATOM 13 N THR A 2 -9.041 -10.272 -19.236 1.00 0.00 N ATOM 14 CA THR A 2 -8.465 -9.273 -18.343 1.00 0.00 C ATOM 15 C THR A 2 -7.721 -8.201 -19.133 1.00 0.00 C ATOM 16 O THR A 2 -6.710 -8.481 -19.778 1.00 0.00 O ATOM 17 CB THR A 2 -7.517 -9.938 -17.344 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.531 -10.699 -18.019 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.222 -10.858 -16.371 1.00 0.00 C ATOM 0 H THR A 2 -8.445 -11.083 -19.402 1.00 0.00 H new ATOM 0 HA THR A 2 -9.280 -8.796 -17.798 1.00 0.00 H new ATOM 0 HB THR A 2 -7.068 -9.119 -16.783 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.277 -10.243 -18.848 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.492 -11.297 -15.691 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.955 -10.290 -15.799 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.727 -11.651 -16.922 1.00 0.00 H new ATOM 27 N SER A 3 -8.227 -6.974 -19.078 1.00 0.00 N ATOM 28 CA SER A 3 -7.610 -5.860 -19.788 1.00 0.00 C ATOM 29 C SER A 3 -6.539 -5.193 -18.930 1.00 0.00 C ATOM 30 O SER A 3 -6.830 -4.661 -17.859 1.00 0.00 O ATOM 31 CB SER A 3 -8.671 -4.833 -20.190 1.00 0.00 C ATOM 32 OG SER A 3 -8.399 -4.293 -21.471 1.00 0.00 O ATOM 0 H SER A 3 -9.063 -6.726 -18.549 1.00 0.00 H new ATOM 0 HA SER A 3 -7.136 -6.253 -20.687 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.654 -5.303 -20.192 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.702 -4.031 -19.453 1.00 0.00 H new ATOM 0 HG SER A 3 -9.092 -3.641 -21.705 1.00 0.00 H new ATOM 38 N THR A 4 -5.300 -5.226 -19.408 1.00 0.00 N ATOM 39 CA THR A 4 -4.185 -4.624 -18.685 1.00 0.00 C ATOM 40 C THR A 4 -4.049 -3.145 -19.029 1.00 0.00 C ATOM 41 O THR A 4 -3.563 -2.789 -20.103 1.00 0.00 O ATOM 42 CB THR A 4 -2.883 -5.358 -19.011 1.00 0.00 C ATOM 43 OG1 THR A 4 -3.039 -6.755 -18.842 1.00 0.00 O ATOM 44 CG2 THR A 4 -1.718 -4.919 -18.150 1.00 0.00 C ATOM 0 H THR A 4 -5.042 -5.663 -20.293 1.00 0.00 H new ATOM 0 HA THR A 4 -4.386 -4.713 -17.617 1.00 0.00 H new ATOM 0 HB THR A 4 -2.662 -5.108 -20.049 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.196 -7.207 -19.057 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.826 -5.478 -18.432 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.540 -3.854 -18.295 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.948 -5.109 -17.102 1.00 0.00 H new ATOM 52 N LYS A 5 -4.481 -2.287 -18.110 1.00 0.00 N ATOM 53 CA LYS A 5 -4.407 -0.845 -18.316 1.00 0.00 C ATOM 54 C LYS A 5 -3.053 -0.301 -17.868 1.00 0.00 C ATOM 55 O LYS A 5 -2.386 -0.892 -17.019 1.00 0.00 O ATOM 56 CB LYS A 5 -5.534 -0.143 -17.555 1.00 0.00 C ATOM 57 CG LYS A 5 -6.548 0.535 -18.462 1.00 0.00 C ATOM 58 CD LYS A 5 -7.948 0.478 -17.873 1.00 0.00 C ATOM 59 CE LYS A 5 -8.774 1.687 -18.282 1.00 0.00 C ATOM 60 NZ LYS A 5 -9.903 1.932 -17.343 1.00 0.00 N ATOM 0 H LYS A 5 -4.886 -2.565 -17.216 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.521 -0.647 -19.382 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.049 -0.872 -16.930 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.101 0.601 -16.887 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.260 1.575 -18.618 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.543 0.052 -19.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.446 -0.433 -18.204 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.885 0.430 -16.786 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.134 2.569 -18.318 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.165 1.536 -19.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.441 2.765 -17.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.528 1.101 -17.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.529 2.102 -16.387 1.00 0.00 H new ATOM 74 N LYS A 6 -2.655 0.828 -18.445 1.00 0.00 N ATOM 75 CA LYS A 6 -1.382 1.452 -18.104 1.00 0.00 C ATOM 76 C LYS A 6 -1.487 2.220 -16.790 1.00 0.00 C ATOM 77 O LYS A 6 -2.149 3.255 -16.716 1.00 0.00 O ATOM 78 CB LYS A 6 -0.934 2.390 -19.228 1.00 0.00 C ATOM 79 CG LYS A 6 0.240 1.856 -20.033 1.00 0.00 C ATOM 80 CD LYS A 6 1.032 2.983 -20.678 1.00 0.00 C ATOM 81 CE LYS A 6 0.679 3.142 -22.148 1.00 0.00 C ATOM 82 NZ LYS A 6 1.499 4.196 -22.806 1.00 0.00 N ATOM 0 H LYS A 6 -3.195 1.329 -19.150 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.639 0.664 -17.982 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.774 2.566 -19.900 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.661 3.354 -18.799 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.895 1.276 -19.383 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.125 1.178 -20.805 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.833 3.917 -20.152 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.099 2.783 -20.579 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.829 2.192 -22.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.378 3.393 -22.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.227 4.273 -23.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.337 5.108 -22.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.506 3.945 -22.739 1.00 0.00 H new ATOM 96 N LEU A 7 -0.828 1.706 -15.757 1.00 0.00 N ATOM 97 CA LEU A 7 -0.846 2.343 -14.445 1.00 0.00 C ATOM 98 C LEU A 7 0.319 3.316 -14.295 1.00 0.00 C ATOM 99 O LEU A 7 1.483 2.920 -14.355 1.00 0.00 O ATOM 100 CB LEU A 7 -0.789 1.287 -13.338 1.00 0.00 C ATOM 101 CG LEU A 7 0.209 0.151 -13.575 1.00 0.00 C ATOM 102 CD1 LEU A 7 0.835 -0.292 -12.262 1.00 0.00 C ATOM 103 CD2 LEU A 7 -0.474 -1.020 -14.266 1.00 0.00 C ATOM 0 H LEU A 7 -0.275 0.850 -15.803 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.777 2.902 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.538 1.780 -12.399 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.783 0.857 -13.216 1.00 0.00 H new ATOM 0 HG LEU A 7 1.003 0.518 -14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.542 -1.100 -12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.358 0.549 -11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.054 -0.643 -11.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.249 -1.819 -14.427 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.287 -1.387 -13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.874 -0.693 -15.226 1.00 0.00 H new ATOM 115 N HIS A 8 -0.002 4.591 -14.101 1.00 0.00 N ATOM 116 CA HIS A 8 1.019 5.622 -13.944 1.00 0.00 C ATOM 117 C HIS A 8 1.431 5.760 -12.482 1.00 0.00 C ATOM 118 O HIS A 8 0.724 5.310 -11.581 1.00 0.00 O ATOM 119 CB HIS A 8 0.504 6.963 -14.469 1.00 0.00 C ATOM 120 CG HIS A 8 -0.096 6.880 -15.838 1.00 0.00 C ATOM 121 ND1 HIS A 8 -0.959 7.831 -16.340 1.00 0.00 N ATOM 122 CD2 HIS A 8 0.047 5.952 -16.815 1.00 0.00 C ATOM 123 CE1 HIS A 8 -1.322 7.492 -17.564 1.00 0.00 C ATOM 124 NE2 HIS A 8 -0.725 6.356 -17.876 1.00 0.00 N ATOM 0 H HIS A 8 -0.961 4.936 -14.049 1.00 0.00 H new ATOM 0 HA HIS A 8 1.893 5.324 -14.523 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.243 7.352 -13.777 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.327 7.678 -14.485 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.655 5.061 -16.768 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.993 8.049 -18.201 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.822 5.859 -18.762 1.00 0.00 H new ATOM 133 N LYS A 9 2.581 6.387 -12.254 1.00 0.00 N ATOM 134 CA LYS A 9 3.089 6.585 -10.901 1.00 0.00 C ATOM 135 C LYS A 9 2.648 7.935 -10.345 1.00 0.00 C ATOM 136 O LYS A 9 2.948 8.981 -10.920 1.00 0.00 O ATOM 137 CB LYS A 9 4.617 6.494 -10.885 1.00 0.00 C ATOM 138 CG LYS A 9 5.173 5.369 -11.743 1.00 0.00 C ATOM 139 CD LYS A 9 5.037 4.022 -11.051 1.00 0.00 C ATOM 140 CE LYS A 9 3.697 3.373 -11.356 1.00 0.00 C ATOM 141 NZ LYS A 9 3.691 2.713 -12.691 1.00 0.00 N ATOM 0 H LYS A 9 3.178 6.767 -12.988 1.00 0.00 H new ATOM 0 HA LYS A 9 2.677 5.797 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.032 7.441 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.953 6.355 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.647 5.344 -12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.223 5.562 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.843 3.363 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.143 4.153 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.467 2.637 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.912 4.128 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.805 2.940 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.498 3.055 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.766 1.683 -12.569 1.00 0.00 H new ATOM 155 N GLU A 10 1.937 7.905 -9.222 1.00 0.00 N ATOM 156 CA GLU A 10 1.460 9.130 -8.589 1.00 0.00 C ATOM 157 C GLU A 10 1.987 9.242 -7.161 1.00 0.00 C ATOM 158 O GLU A 10 1.984 8.265 -6.413 1.00 0.00 O ATOM 159 CB GLU A 10 -0.070 9.168 -8.584 1.00 0.00 C ATOM 160 CG GLU A 10 -0.679 9.327 -9.968 1.00 0.00 C ATOM 161 CD GLU A 10 -0.086 10.491 -10.738 1.00 0.00 C ATOM 162 OE1 GLU A 10 0.354 11.467 -10.094 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.061 10.427 -11.985 1.00 0.00 O ATOM 0 H GLU A 10 1.679 7.048 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 10 1.834 9.976 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.447 8.250 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.403 9.992 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.529 8.408 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.755 9.470 -9.873 1.00 0.00 H new ATOM 170 N PRO A 11 2.452 10.438 -6.761 1.00 0.00 N ATOM 171 CA PRO A 11 2.983 10.667 -5.421 1.00 0.00 C ATOM 172 C PRO A 11 1.888 10.966 -4.405 1.00 0.00 C ATOM 173 O PRO A 11 1.051 11.843 -4.618 1.00 0.00 O ATOM 174 CB PRO A 11 3.873 11.888 -5.615 1.00 0.00 C ATOM 175 CG PRO A 11 3.214 12.664 -6.706 1.00 0.00 C ATOM 176 CD PRO A 11 2.500 11.663 -7.583 1.00 0.00 C ATOM 0 HA PRO A 11 3.501 9.793 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.946 12.475 -4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.887 11.600 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.511 13.389 -6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.951 13.225 -7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.500 12.006 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.037 11.496 -8.517 1.00 0.00 H new ATOM 184 N ALA A 12 1.904 10.235 -3.298 1.00 0.00 N ATOM 185 CA ALA A 12 0.919 10.423 -2.243 1.00 0.00 C ATOM 186 C ALA A 12 1.520 10.089 -0.884 1.00 0.00 C ATOM 187 O ALA A 12 2.072 9.007 -0.688 1.00 0.00 O ATOM 188 CB ALA A 12 -0.312 9.570 -2.511 1.00 0.00 C ATOM 0 H ALA A 12 2.590 9.505 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 12 0.617 11.470 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.040 9.721 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.754 9.858 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.026 8.519 -2.547 1.00 0.00 H new ATOM 194 N THR A 13 1.423 11.029 0.050 1.00 0.00 N ATOM 195 CA THR A 13 1.974 10.832 1.384 1.00 0.00 C ATOM 196 C THR A 13 0.977 10.136 2.305 1.00 0.00 C ATOM 197 O THR A 13 -0.016 10.728 2.729 1.00 0.00 O ATOM 198 CB THR A 13 2.395 12.172 1.988 1.00 0.00 C ATOM 199 OG1 THR A 13 1.485 13.195 1.626 1.00 0.00 O ATOM 200 CG2 THR A 13 3.776 12.614 1.557 1.00 0.00 C ATOM 0 H THR A 13 0.969 11.932 -0.092 1.00 0.00 H new ATOM 0 HA THR A 13 2.849 10.189 1.288 1.00 0.00 H new ATOM 0 HB THR A 13 2.401 12.013 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.771 14.044 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.013 13.571 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.509 11.869 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.802 12.720 0.472 1.00 0.00 H new ATOM 208 N LEU A 14 1.265 8.879 2.622 1.00 0.00 N ATOM 209 CA LEU A 14 0.419 8.091 3.507 1.00 0.00 C ATOM 210 C LEU A 14 0.513 8.629 4.930 1.00 0.00 C ATOM 211 O LEU A 14 1.578 8.590 5.547 1.00 0.00 O ATOM 212 CB LEU A 14 0.852 6.625 3.470 1.00 0.00 C ATOM 213 CG LEU A 14 -0.247 5.609 3.779 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.286 4.192 3.639 1.00 0.00 C ATOM 215 CD2 LEU A 14 -0.802 5.838 5.177 1.00 0.00 C ATOM 0 H LEU A 14 2.085 8.381 2.275 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.615 8.163 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.256 6.408 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.664 6.485 4.184 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.057 5.743 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.509 3.481 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.638 4.035 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.112 4.044 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.584 5.107 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.002 5.729 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.219 6.843 5.243 1.00 0.00 H new ATOM 227 N ILE A 15 -0.596 9.150 5.440 1.00 0.00 N ATOM 228 CA ILE A 15 -0.615 9.716 6.786 1.00 0.00 C ATOM 229 C ILE A 15 -0.607 8.642 7.871 1.00 0.00 C ATOM 230 O ILE A 15 0.105 8.771 8.868 1.00 0.00 O ATOM 231 CB ILE A 15 -1.833 10.637 7.001 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.138 9.857 6.831 1.00 0.00 C ATOM 233 CG2 ILE A 15 -1.783 11.812 6.037 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.560 9.096 8.070 1.00 0.00 C ATOM 0 H ILE A 15 -1.488 9.193 4.948 1.00 0.00 H new ATOM 0 HA ILE A 15 0.300 10.302 6.871 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.798 11.022 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.932 10.551 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.026 9.155 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.649 12.454 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.871 12.384 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.794 11.442 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.493 8.568 7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.786 8.377 8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.706 9.794 8.894 1.00 0.00 H new ATOM 246 N LYS A 16 -1.408 7.596 7.696 1.00 0.00 N ATOM 247 CA LYS A 16 -1.483 6.534 8.694 1.00 0.00 C ATOM 248 C LYS A 16 -2.216 5.306 8.164 1.00 0.00 C ATOM 249 O LYS A 16 -3.191 5.423 7.421 1.00 0.00 O ATOM 250 CB LYS A 16 -2.186 7.047 9.953 1.00 0.00 C ATOM 251 CG LYS A 16 -1.921 6.198 11.186 1.00 0.00 C ATOM 252 CD LYS A 16 -3.210 5.638 11.769 1.00 0.00 C ATOM 253 CE LYS A 16 -3.920 6.662 12.640 1.00 0.00 C ATOM 254 NZ LYS A 16 -4.366 6.076 13.934 1.00 0.00 N ATOM 0 H LYS A 16 -2.008 7.461 6.882 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.462 6.238 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.862 8.069 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.260 7.083 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.252 5.378 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.411 6.799 11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.871 5.326 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.987 4.749 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.251 7.501 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.783 7.058 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.845 6.806 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.024 5.292 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.540 5.720 14.457 1.00 0.00 H new ATOM 268 N ALA A 17 -1.744 4.129 8.566 1.00 0.00 N ATOM 269 CA ALA A 17 -2.359 2.873 8.148 1.00 0.00 C ATOM 270 C ALA A 17 -3.490 2.489 9.098 1.00 0.00 C ATOM 271 O ALA A 17 -3.442 2.800 10.288 1.00 0.00 O ATOM 272 CB ALA A 17 -1.315 1.768 8.089 1.00 0.00 C ATOM 0 H ALA A 17 -0.938 4.019 9.181 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.779 3.008 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.788 0.837 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.538 2.039 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.870 1.635 9.075 1.00 0.00 H new ATOM 278 N ILE A 18 -4.512 1.823 8.568 1.00 0.00 N ATOM 279 CA ILE A 18 -5.654 1.417 9.380 1.00 0.00 C ATOM 280 C ILE A 18 -5.599 -0.067 9.738 1.00 0.00 C ATOM 281 O ILE A 18 -5.279 -0.426 10.872 1.00 0.00 O ATOM 282 CB ILE A 18 -6.990 1.717 8.670 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.997 3.150 8.133 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.156 1.498 9.622 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.023 3.381 7.045 1.00 0.00 C ATOM 0 H ILE A 18 -4.573 1.554 7.586 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.598 2.002 10.298 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.099 1.033 7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.191 3.837 8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.007 3.389 7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.092 1.714 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.159 0.462 9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.054 2.161 10.481 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.972 4.417 6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.817 2.718 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.020 3.174 7.435 1.00 0.00 H new ATOM 297 N ASP A 19 -5.923 -0.928 8.776 1.00 0.00 N ATOM 298 CA ASP A 19 -5.919 -2.370 9.010 1.00 0.00 C ATOM 299 C ASP A 19 -4.912 -3.083 8.111 1.00 0.00 C ATOM 300 O ASP A 19 -5.115 -4.238 7.736 1.00 0.00 O ATOM 301 CB ASP A 19 -7.318 -2.945 8.779 1.00 0.00 C ATOM 302 CG ASP A 19 -7.671 -4.027 9.781 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.813 -3.704 10.979 1.00 0.00 O ATOM 304 OD2 ASP A 19 -7.807 -5.198 9.367 1.00 0.00 O ATOM 0 H ASP A 19 -6.191 -0.654 7.831 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.623 -2.536 10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.053 -2.142 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.378 -3.354 7.770 1.00 0.00 H new ATOM 309 N GLY A 20 -3.828 -2.395 7.770 1.00 0.00 N ATOM 310 CA GLY A 20 -2.813 -2.993 6.921 1.00 0.00 C ATOM 311 C GLY A 20 -3.061 -2.743 5.446 1.00 0.00 C ATOM 312 O GLY A 20 -2.141 -2.395 4.707 1.00 0.00 O ATOM 0 H GLY A 20 -3.634 -1.438 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.836 -2.594 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.780 -4.067 7.103 1.00 0.00 H new ATOM 316 N ASP A 21 -4.307 -2.919 5.016 1.00 0.00 N ATOM 317 CA ASP A 21 -4.667 -2.707 3.620 1.00 0.00 C ATOM 318 C ASP A 21 -5.244 -1.310 3.426 1.00 0.00 C ATOM 319 O ASP A 21 -4.640 -0.466 2.764 1.00 0.00 O ATOM 320 CB ASP A 21 -5.677 -3.760 3.163 1.00 0.00 C ATOM 321 CG ASP A 21 -5.029 -5.105 2.898 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.336 -5.237 1.867 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.215 -6.026 3.721 1.00 0.00 O ATOM 0 H ASP A 21 -5.082 -3.207 5.613 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.765 -2.801 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.448 -3.875 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.174 -3.414 2.257 1.00 0.00 H new ATOM 328 N THR A 22 -6.408 -1.067 4.018 1.00 0.00 N ATOM 329 CA THR A 22 -7.052 0.236 3.916 1.00 0.00 C ATOM 330 C THR A 22 -6.221 1.287 4.643 1.00 0.00 C ATOM 331 O THR A 22 -6.174 1.313 5.872 1.00 0.00 O ATOM 332 CB THR A 22 -8.463 0.183 4.506 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.046 -1.091 4.299 1.00 0.00 O ATOM 334 CG2 THR A 22 -9.398 1.216 3.917 1.00 0.00 C ATOM 0 H THR A 22 -6.923 -1.752 4.571 1.00 0.00 H new ATOM 0 HA THR A 22 -7.126 0.506 2.863 1.00 0.00 H new ATOM 0 HB THR A 22 -8.339 0.393 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.947 -1.105 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.381 1.123 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.002 2.214 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.486 1.056 2.842 1.00 0.00 H new ATOM 342 N VAL A 23 -5.555 2.144 3.878 1.00 0.00 N ATOM 343 CA VAL A 23 -4.716 3.185 4.457 1.00 0.00 C ATOM 344 C VAL A 23 -4.975 4.537 3.805 1.00 0.00 C ATOM 345 O VAL A 23 -5.334 4.611 2.630 1.00 0.00 O ATOM 346 CB VAL A 23 -3.222 2.841 4.308 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.896 1.545 5.034 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.837 2.748 2.837 1.00 0.00 C ATOM 0 H VAL A 23 -5.580 2.138 2.858 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.973 3.243 5.515 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.638 3.642 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.836 1.319 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.129 1.653 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.489 0.733 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.778 2.504 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.428 1.969 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.029 3.704 2.349 1.00 0.00 H new ATOM 358 N LYS A 24 -4.778 5.605 4.571 1.00 0.00 N ATOM 359 CA LYS A 24 -4.978 6.953 4.060 1.00 0.00 C ATOM 360 C LYS A 24 -3.767 7.396 3.245 1.00 0.00 C ATOM 361 O LYS A 24 -2.632 7.056 3.570 1.00 0.00 O ATOM 362 CB LYS A 24 -5.226 7.931 5.210 1.00 0.00 C ATOM 363 CG LYS A 24 -5.293 9.382 4.765 1.00 0.00 C ATOM 364 CD LYS A 24 -6.442 9.614 3.798 1.00 0.00 C ATOM 365 CE LYS A 24 -7.766 9.760 4.531 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.987 11.154 5.004 1.00 0.00 N ATOM 0 H LYS A 24 -4.481 5.562 5.546 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.855 6.949 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.160 7.667 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.431 7.821 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.413 10.026 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.353 9.662 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.249 10.512 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.503 8.782 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.581 9.467 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.787 9.080 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.778 11.170 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.126 11.503 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.212 11.764 4.193 1.00 0.00 H new ATOM 380 N LEU A 25 -4.017 8.147 2.180 1.00 0.00 N ATOM 381 CA LEU A 25 -2.946 8.623 1.311 1.00 0.00 C ATOM 382 C LEU A 25 -3.204 10.055 0.850 1.00 0.00 C ATOM 383 O LEU A 25 -4.172 10.307 0.139 1.00 0.00 O ATOM 384 CB LEU A 25 -2.844 7.725 0.074 1.00 0.00 C ATOM 385 CG LEU A 25 -1.809 6.598 0.138 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.405 5.297 -0.382 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.580 6.962 -0.676 1.00 0.00 C ATOM 0 H LEU A 25 -4.952 8.440 1.896 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.018 8.594 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.823 7.281 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.614 8.353 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.517 6.461 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.656 4.507 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.266 5.022 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.721 5.429 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.146 6.151 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.866 7.122 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.136 7.874 -0.277 1.00 0.00 H new ATOM 399 N MET A 26 -2.321 10.982 1.211 1.00 0.00 N ATOM 400 CA MET A 26 -2.474 12.369 0.773 1.00 0.00 C ATOM 401 C MET A 26 -2.155 12.437 -0.716 1.00 0.00 C ATOM 402 O MET A 26 -0.991 12.441 -1.113 1.00 0.00 O ATOM 403 CB MET A 26 -1.530 13.284 1.555 1.00 0.00 C ATOM 404 CG MET A 26 -2.113 14.658 1.844 1.00 0.00 C ATOM 405 SD MET A 26 -0.867 15.961 1.812 1.00 0.00 S ATOM 406 CE MET A 26 -1.633 17.185 2.871 1.00 0.00 C ATOM 0 H MET A 26 -1.504 10.804 1.796 1.00 0.00 H new ATOM 0 HA MET A 26 -3.495 12.704 0.955 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.270 12.803 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.604 13.403 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.887 14.882 1.110 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.595 14.646 2.821 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.982 18.055 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.590 17.486 2.446 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.794 16.760 3.862 1.00 0.00 H new ATOM 416 N TYR A 27 -3.200 12.443 -1.535 1.00 0.00 N ATOM 417 CA TYR A 27 -3.046 12.454 -2.983 1.00 0.00 C ATOM 418 C TYR A 27 -3.094 13.869 -3.556 1.00 0.00 C ATOM 419 O TYR A 27 -4.148 14.503 -3.591 1.00 0.00 O ATOM 420 CB TYR A 27 -4.140 11.581 -3.598 1.00 0.00 C ATOM 421 CG TYR A 27 -4.076 11.459 -5.100 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.376 12.540 -5.913 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.731 10.257 -5.704 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.335 12.434 -7.285 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.687 10.136 -7.078 1.00 0.00 C ATOM 426 CZ TYR A 27 -3.990 11.229 -7.867 1.00 0.00 C ATOM 427 OH TYR A 27 -3.948 11.118 -9.238 1.00 0.00 O ATOM 0 H TYR A 27 -4.169 12.440 -1.217 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.064 12.053 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.078 10.584 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.112 11.990 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.647 13.483 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.493 9.402 -5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.571 13.288 -7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.418 9.194 -7.533 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.611 11.721 -9.635 1.00 0.00 H new ATOM 437 N LYS A 28 -1.937 14.348 -4.014 1.00 0.00 N ATOM 438 CA LYS A 28 -1.819 15.683 -4.604 1.00 0.00 C ATOM 439 C LYS A 28 -2.576 16.732 -3.789 1.00 0.00 C ATOM 440 O LYS A 28 -3.343 17.525 -4.336 1.00 0.00 O ATOM 441 CB LYS A 28 -2.323 15.665 -6.051 1.00 0.00 C ATOM 442 CG LYS A 28 -1.240 15.980 -7.072 1.00 0.00 C ATOM 443 CD LYS A 28 -1.418 17.368 -7.668 1.00 0.00 C ATOM 444 CE LYS A 28 -0.095 18.113 -7.753 1.00 0.00 C ATOM 445 NZ LYS A 28 0.478 18.074 -9.127 1.00 0.00 N ATOM 0 H LYS A 28 -1.061 13.826 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.765 15.960 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.743 14.683 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.132 16.388 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.261 15.910 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.263 15.236 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.854 17.284 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.120 17.939 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.242 19.150 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.614 17.674 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.379 18.593 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.643 17.086 -9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.187 18.516 -9.793 1.00 0.00 H new ATOM 459 N GLY A 29 -2.355 16.732 -2.479 1.00 0.00 N ATOM 460 CA GLY A 29 -3.022 17.689 -1.616 1.00 0.00 C ATOM 461 C GLY A 29 -4.407 17.236 -1.191 1.00 0.00 C ATOM 462 O GLY A 29 -4.989 17.794 -0.262 1.00 0.00 O ATOM 0 H GLY A 29 -1.727 16.087 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.412 17.857 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.101 18.645 -2.134 1.00 0.00 H new ATOM 466 N GLN A 30 -4.934 16.218 -1.866 1.00 0.00 N ATOM 467 CA GLN A 30 -6.252 15.691 -1.543 1.00 0.00 C ATOM 468 C GLN A 30 -6.134 14.214 -1.150 1.00 0.00 C ATOM 469 O GLN A 30 -6.044 13.335 -2.004 1.00 0.00 O ATOM 470 CB GLN A 30 -7.203 15.918 -2.743 1.00 0.00 C ATOM 471 CG GLN A 30 -7.877 14.674 -3.314 1.00 0.00 C ATOM 472 CD GLN A 30 -7.071 14.044 -4.429 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.300 14.721 -5.108 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.253 12.745 -4.630 1.00 0.00 N ATOM 0 H GLN A 30 -4.467 15.744 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.677 16.216 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.980 16.618 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.638 16.398 -3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.023 13.945 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.866 14.939 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.903 12.224 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.743 12.267 -5.373 1.00 0.00 H new ATOM 483 N PRO A 31 -6.095 13.928 0.166 1.00 0.00 N ATOM 484 CA PRO A 31 -5.953 12.564 0.682 1.00 0.00 C ATOM 485 C PRO A 31 -7.074 11.622 0.263 1.00 0.00 C ATOM 486 O PRO A 31 -8.235 12.013 0.136 1.00 0.00 O ATOM 487 CB PRO A 31 -5.947 12.745 2.204 1.00 0.00 C ATOM 488 CG PRO A 31 -5.559 14.164 2.416 1.00 0.00 C ATOM 489 CD PRO A 31 -6.138 14.914 1.255 1.00 0.00 C ATOM 0 HA PRO A 31 -5.052 12.096 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.928 12.535 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.240 12.066 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.950 14.541 3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.475 14.273 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.156 15.247 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.553 15.803 1.017 1.00 0.00 H new ATOM 497 N MET A 32 -6.689 10.370 0.061 1.00 0.00 N ATOM 498 CA MET A 32 -7.599 9.307 -0.335 1.00 0.00 C ATOM 499 C MET A 32 -7.154 8.003 0.313 1.00 0.00 C ATOM 500 O MET A 32 -5.959 7.718 0.369 1.00 0.00 O ATOM 501 CB MET A 32 -7.581 9.141 -1.856 1.00 0.00 C ATOM 502 CG MET A 32 -8.430 10.155 -2.595 1.00 0.00 C ATOM 503 SD MET A 32 -8.642 9.745 -4.339 1.00 0.00 S ATOM 504 CE MET A 32 -6.959 9.338 -4.798 1.00 0.00 C ATOM 0 H MET A 32 -5.723 10.061 0.169 1.00 0.00 H new ATOM 0 HA MET A 32 -8.609 9.561 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.552 9.218 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.929 8.139 -2.106 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.409 10.219 -2.119 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.969 11.139 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.734 9.769 -5.773 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.271 9.742 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.847 8.255 -4.845 1.00 0.00 H new ATOM 514 N THR A 33 -8.095 7.197 0.779 1.00 0.00 N ATOM 515 CA THR A 33 -7.736 5.918 1.374 1.00 0.00 C ATOM 516 C THR A 33 -7.473 4.927 0.241 1.00 0.00 C ATOM 517 O THR A 33 -7.933 5.135 -0.882 1.00 0.00 O ATOM 518 CB THR A 33 -8.827 5.418 2.327 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.873 6.366 2.436 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.315 5.142 3.725 1.00 0.00 C ATOM 0 H THR A 33 -9.095 7.399 0.759 1.00 0.00 H new ATOM 0 HA THR A 33 -6.836 6.028 1.979 1.00 0.00 H new ATOM 0 HB THR A 33 -9.184 4.484 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.560 6.027 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.136 4.791 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.538 4.378 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.902 6.057 4.148 1.00 0.00 H new ATOM 528 N PHE A 34 -6.705 3.879 0.507 1.00 0.00 N ATOM 529 CA PHE A 34 -6.368 2.913 -0.538 1.00 0.00 C ATOM 530 C PHE A 34 -6.366 1.482 -0.011 1.00 0.00 C ATOM 531 O PHE A 34 -5.939 1.221 1.113 1.00 0.00 O ATOM 532 CB PHE A 34 -4.999 3.244 -1.141 1.00 0.00 C ATOM 533 CG PHE A 34 -5.000 4.499 -1.965 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.207 5.726 -1.368 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.804 4.448 -3.334 1.00 0.00 C ATOM 536 CE1 PHE A 34 -5.219 6.887 -2.118 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.817 5.606 -4.092 1.00 0.00 C ATOM 538 CZ PHE A 34 -5.026 6.828 -3.480 1.00 0.00 C ATOM 0 H PHE A 34 -6.307 3.675 1.423 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.136 2.984 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.271 3.347 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.672 2.410 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.362 5.780 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.639 3.495 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.380 7.840 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.664 5.555 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.038 7.734 -4.068 1.00 0.00 H new ATOM 548 N ARG A 35 -6.828 0.559 -0.847 1.00 0.00 N ATOM 549 CA ARG A 35 -6.866 -0.853 -0.492 1.00 0.00 C ATOM 550 C ARG A 35 -5.899 -1.635 -1.374 1.00 0.00 C ATOM 551 O ARG A 35 -6.206 -1.946 -2.524 1.00 0.00 O ATOM 552 CB ARG A 35 -8.285 -1.406 -0.646 1.00 0.00 C ATOM 553 CG ARG A 35 -8.398 -2.891 -0.332 1.00 0.00 C ATOM 554 CD ARG A 35 -8.876 -3.689 -1.536 1.00 0.00 C ATOM 555 NE ARG A 35 -10.247 -4.164 -1.369 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.805 -5.101 -2.132 1.00 0.00 C ATOM 557 NH1 ARG A 35 -10.114 -5.663 -3.116 1.00 0.00 N ATOM 558 NH2 ARG A 35 -12.057 -5.477 -1.910 1.00 0.00 N ATOM 0 H ARG A 35 -7.183 0.766 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.565 -0.961 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.955 -0.852 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.625 -1.232 -1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.428 -3.269 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.090 -3.035 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.814 -3.068 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.214 -4.541 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.810 -3.754 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.150 -5.377 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.546 -6.381 -3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.592 -5.048 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.485 -6.195 -2.494 1.00 0.00 H new ATOM 572 N LEU A 36 -4.721 -1.934 -0.832 1.00 0.00 N ATOM 573 CA LEU A 36 -3.696 -2.664 -1.575 1.00 0.00 C ATOM 574 C LEU A 36 -4.277 -3.888 -2.277 1.00 0.00 C ATOM 575 O LEU A 36 -5.436 -4.248 -2.068 1.00 0.00 O ATOM 576 CB LEU A 36 -2.557 -3.090 -0.645 1.00 0.00 C ATOM 577 CG LEU A 36 -2.098 -2.029 0.358 1.00 0.00 C ATOM 578 CD1 LEU A 36 -0.871 -2.510 1.117 1.00 0.00 C ATOM 579 CD2 LEU A 36 -1.807 -0.714 -0.351 1.00 0.00 C ATOM 0 H LEU A 36 -4.452 -1.682 0.119 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.304 -1.990 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.873 -3.975 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.703 -3.383 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.902 -1.861 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.558 -1.743 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.113 -3.426 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.062 -2.706 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.482 0.028 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.020 -0.865 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.710 -0.362 -0.849 1.00 0.00 H new ATOM 591 N LEU A 37 -3.461 -4.519 -3.115 1.00 0.00 N ATOM 592 CA LEU A 37 -3.885 -5.699 -3.860 1.00 0.00 C ATOM 593 C LEU A 37 -3.082 -6.926 -3.439 1.00 0.00 C ATOM 594 O LEU A 37 -3.610 -8.037 -3.387 1.00 0.00 O ATOM 595 CB LEU A 37 -3.723 -5.464 -5.366 1.00 0.00 C ATOM 596 CG LEU A 37 -3.934 -4.019 -5.829 1.00 0.00 C ATOM 597 CD1 LEU A 37 -2.728 -3.162 -5.471 1.00 0.00 C ATOM 598 CD2 LEU A 37 -4.195 -3.971 -7.327 1.00 0.00 C ATOM 0 H LEU A 37 -2.499 -4.232 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.937 -5.879 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.722 -5.780 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.429 -6.104 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.807 -3.618 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.896 -2.139 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.584 -3.170 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.839 -3.563 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.343 -2.937 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.341 -4.391 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.088 -4.551 -7.559 1.00 0.00 H new ATOM 610 N LEU A 38 -1.803 -6.718 -3.140 1.00 0.00 N ATOM 611 CA LEU A 38 -0.926 -7.808 -2.724 1.00 0.00 C ATOM 612 C LEU A 38 -1.493 -8.531 -1.507 1.00 0.00 C ATOM 613 O LEU A 38 -1.225 -8.153 -0.367 1.00 0.00 O ATOM 614 CB LEU A 38 0.472 -7.273 -2.407 1.00 0.00 C ATOM 615 CG LEU A 38 1.618 -8.235 -2.717 1.00 0.00 C ATOM 616 CD1 LEU A 38 1.960 -8.197 -4.199 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.840 -7.896 -1.877 1.00 0.00 C ATOM 0 H LEU A 38 -1.351 -5.805 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.859 -8.519 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.628 -6.352 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.513 -7.011 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 38 1.298 -9.246 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.778 -8.888 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.086 -8.488 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.261 -7.187 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.646 -8.591 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.163 -6.879 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.588 -7.975 -0.820 1.00 0.00 H new ATOM 629 N VAL A 39 -2.277 -9.574 -1.758 1.00 0.00 N ATOM 630 CA VAL A 39 -2.882 -10.350 -0.684 1.00 0.00 C ATOM 631 C VAL A 39 -2.213 -11.714 -0.549 1.00 0.00 C ATOM 632 O VAL A 39 -2.368 -12.580 -1.411 1.00 0.00 O ATOM 633 CB VAL A 39 -4.391 -10.552 -0.918 1.00 0.00 C ATOM 634 CG1 VAL A 39 -5.040 -11.188 0.301 1.00 0.00 C ATOM 635 CG2 VAL A 39 -5.060 -9.229 -1.259 1.00 0.00 C ATOM 0 H VAL A 39 -2.508 -9.901 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.738 -9.784 0.236 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.522 -11.227 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.106 -11.323 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.580 -12.157 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.900 -10.541 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.126 -9.391 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.921 -8.528 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.614 -8.818 -2.165 1.00 0.00 H new ATOM 645 N ASP A 40 -1.469 -11.899 0.537 1.00 0.00 N ATOM 646 CA ASP A 40 -0.778 -13.159 0.783 1.00 0.00 C ATOM 647 C ASP A 40 -1.180 -13.737 2.136 1.00 0.00 C ATOM 648 O ASP A 40 -2.135 -13.277 2.751 1.00 0.00 O ATOM 649 CB ASP A 40 0.740 -12.955 0.734 1.00 0.00 C ATOM 650 CG ASP A 40 1.190 -12.162 -0.479 1.00 0.00 C ATOM 651 OD1 ASP A 40 0.506 -11.180 -0.839 1.00 0.00 O ATOM 652 OD2 ASP A 40 2.232 -12.519 -1.068 1.00 0.00 O ATOM 0 H ASP A 40 -1.330 -11.193 1.260 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.066 -13.863 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.062 -12.439 1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.232 -13.927 0.729 1.00 0.00 H new ATOM 657 N THR A 41 -0.442 -14.741 2.598 1.00 0.00 N ATOM 658 CA THR A 41 -0.726 -15.365 3.887 1.00 0.00 C ATOM 659 C THR A 41 0.585 -15.597 4.651 1.00 0.00 C ATOM 660 O THR A 41 1.641 -15.744 4.036 1.00 0.00 O ATOM 661 CB THR A 41 -1.483 -16.686 3.696 1.00 0.00 C ATOM 662 OG1 THR A 41 -2.827 -16.428 3.315 1.00 0.00 O ATOM 663 CG2 THR A 41 -1.523 -17.562 4.935 1.00 0.00 C ATOM 0 H THR A 41 0.355 -15.140 2.102 1.00 0.00 H new ATOM 0 HA THR A 41 -1.361 -14.697 4.469 1.00 0.00 H new ATOM 0 HB THR A 41 -0.932 -17.221 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.411 -17.123 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.076 -18.476 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.506 -17.816 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.016 -17.024 5.745 1.00 0.00 H new ATOM 671 N PRO A 42 0.549 -15.620 5.997 1.00 0.00 N ATOM 672 CA PRO A 42 1.750 -15.817 6.816 1.00 0.00 C ATOM 673 C PRO A 42 2.302 -17.239 6.747 1.00 0.00 C ATOM 674 O PRO A 42 1.645 -18.192 7.164 1.00 0.00 O ATOM 675 CB PRO A 42 1.279 -15.506 8.246 1.00 0.00 C ATOM 676 CG PRO A 42 -0.056 -14.860 8.091 1.00 0.00 C ATOM 677 CD PRO A 42 -0.640 -15.437 6.836 1.00 0.00 C ATOM 0 HA PRO A 42 2.565 -15.182 6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.209 -16.415 8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.979 -14.844 8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.693 -15.066 8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.039 -13.777 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.156 -16.379 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.363 -14.763 6.376 1.00 0.00 H new ATOM 685 N GLU A 43 3.529 -17.357 6.237 1.00 0.00 N ATOM 686 CA GLU A 43 4.225 -18.647 6.124 1.00 0.00 C ATOM 687 C GLU A 43 3.841 -19.416 4.860 1.00 0.00 C ATOM 688 O GLU A 43 4.507 -20.385 4.498 1.00 0.00 O ATOM 689 CB GLU A 43 3.968 -19.520 7.358 1.00 0.00 C ATOM 690 CG GLU A 43 4.125 -18.777 8.675 1.00 0.00 C ATOM 691 CD GLU A 43 5.501 -18.958 9.286 1.00 0.00 C ATOM 692 OE1 GLU A 43 6.019 -20.094 9.253 1.00 0.00 O ATOM 693 OE2 GLU A 43 6.059 -17.965 9.796 1.00 0.00 O ATOM 0 H GLU A 43 4.070 -16.565 5.890 1.00 0.00 H new ATOM 0 HA GLU A 43 5.288 -18.415 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.959 -19.929 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.656 -20.366 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.940 -17.715 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.370 -19.128 9.378 1.00 0.00 H new ATOM 700 N THR A 44 2.776 -18.993 4.190 1.00 0.00 N ATOM 701 CA THR A 44 2.334 -19.665 2.973 1.00 0.00 C ATOM 702 C THR A 44 2.561 -18.779 1.753 1.00 0.00 C ATOM 703 O THR A 44 3.120 -17.689 1.865 1.00 0.00 O ATOM 704 CB THR A 44 0.854 -20.039 3.080 1.00 0.00 C ATOM 705 OG1 THR A 44 0.444 -20.079 4.435 1.00 0.00 O ATOM 706 CG2 THR A 44 0.530 -21.382 2.463 1.00 0.00 C ATOM 0 H THR A 44 2.205 -18.194 4.466 1.00 0.00 H new ATOM 0 HA THR A 44 2.922 -20.575 2.854 1.00 0.00 H new ATOM 0 HB THR A 44 0.320 -19.265 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.505 -20.318 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.535 -21.586 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.789 -21.368 1.404 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.102 -22.161 2.966 1.00 0.00 H new ATOM 714 N LYS A 45 2.114 -19.250 0.591 1.00 0.00 N ATOM 715 CA LYS A 45 2.257 -18.489 -0.645 1.00 0.00 C ATOM 716 C LYS A 45 1.479 -17.176 -0.525 1.00 0.00 C ATOM 717 O LYS A 45 1.552 -16.512 0.509 1.00 0.00 O ATOM 718 CB LYS A 45 1.766 -19.322 -1.835 1.00 0.00 C ATOM 719 CG LYS A 45 0.297 -19.706 -1.747 1.00 0.00 C ATOM 720 CD LYS A 45 -0.312 -19.903 -3.126 1.00 0.00 C ATOM 721 CE LYS A 45 -0.472 -21.377 -3.460 1.00 0.00 C ATOM 722 NZ LYS A 45 0.668 -21.891 -4.269 1.00 0.00 N ATOM 0 H LYS A 45 1.651 -20.152 0.481 1.00 0.00 H new ATOM 0 HA LYS A 45 3.308 -18.254 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.931 -18.759 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.366 -20.229 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.194 -20.624 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.252 -18.930 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.284 -19.412 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.320 -19.426 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.550 -21.952 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.402 -21.526 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.520 -22.900 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.728 -21.360 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.553 -21.773 -3.736 1.00 0.00 H new ATOM 736 N HIS A 46 0.722 -16.795 -1.553 1.00 0.00 N ATOM 737 CA HIS A 46 -0.053 -15.565 -1.478 1.00 0.00 C ATOM 738 C HIS A 46 -1.542 -15.847 -1.668 1.00 0.00 C ATOM 739 O HIS A 46 -2.089 -15.643 -2.752 1.00 0.00 O ATOM 740 CB HIS A 46 0.429 -14.574 -2.539 1.00 0.00 C ATOM 741 CG HIS A 46 0.561 -15.176 -3.904 1.00 0.00 C ATOM 742 ND1 HIS A 46 1.755 -15.650 -4.405 1.00 0.00 N ATOM 743 CD2 HIS A 46 -0.361 -15.382 -4.875 1.00 0.00 C ATOM 744 CE1 HIS A 46 1.563 -16.120 -5.625 1.00 0.00 C ATOM 745 NE2 HIS A 46 0.288 -15.970 -5.932 1.00 0.00 N ATOM 0 H HIS A 46 0.631 -17.310 -2.429 1.00 0.00 H new ATOM 0 HA HIS A 46 0.092 -15.131 -0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.268 -13.737 -2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.394 -14.169 -2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.410 -15.131 -4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.320 -16.553 -6.262 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.145 -16.247 -6.813 1.00 0.00 H new ATOM 754 N PRO A 47 -2.218 -16.340 -0.613 1.00 0.00 N ATOM 755 CA PRO A 47 -3.624 -16.676 -0.636 1.00 0.00 C ATOM 756 C PRO A 47 -4.511 -15.594 0.007 1.00 0.00 C ATOM 757 O PRO A 47 -4.854 -14.611 -0.651 1.00 0.00 O ATOM 758 CB PRO A 47 -3.642 -17.986 0.170 1.00 0.00 C ATOM 759 CG PRO A 47 -2.366 -17.985 0.972 1.00 0.00 C ATOM 760 CD PRO A 47 -1.674 -16.670 0.691 1.00 0.00 C ATOM 0 HA PRO A 47 -4.029 -16.764 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.515 -18.034 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.690 -18.852 -0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.578 -18.091 2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.731 -18.824 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.909 -15.913 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.589 -16.772 0.671 1.00 0.00 H new ATOM 768 N LYS A 48 -4.905 -15.773 1.279 1.00 0.00 N ATOM 769 CA LYS A 48 -5.768 -14.796 1.944 1.00 0.00 C ATOM 770 C LYS A 48 -5.261 -14.379 3.328 1.00 0.00 C ATOM 771 O LYS A 48 -5.543 -15.050 4.320 1.00 0.00 O ATOM 772 CB LYS A 48 -7.188 -15.356 2.063 1.00 0.00 C ATOM 773 CG LYS A 48 -8.248 -14.462 1.441 1.00 0.00 C ATOM 774 CD LYS A 48 -9.649 -14.958 1.759 1.00 0.00 C ATOM 775 CE LYS A 48 -10.603 -14.714 0.600 1.00 0.00 C ATOM 776 NZ LYS A 48 -11.629 -15.788 0.492 1.00 0.00 N ATOM 0 H LYS A 48 -4.642 -16.573 1.855 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.760 -13.900 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.225 -16.335 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.424 -15.506 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.129 -13.443 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.109 -14.428 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.616 -16.024 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.021 -14.453 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.097 -13.751 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.038 -14.657 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.260 -15.586 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.159 -16.703 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.185 -15.826 1.370 1.00 0.00 H new ATOM 790 N LYS A 49 -4.550 -13.258 3.403 1.00 0.00 N ATOM 791 CA LYS A 49 -4.055 -12.747 4.680 1.00 0.00 C ATOM 792 C LYS A 49 -3.104 -11.571 4.468 1.00 0.00 C ATOM 793 O LYS A 49 -1.969 -11.578 4.945 1.00 0.00 O ATOM 794 CB LYS A 49 -3.367 -13.851 5.483 1.00 0.00 C ATOM 795 CG LYS A 49 -4.012 -14.106 6.837 1.00 0.00 C ATOM 796 CD LYS A 49 -4.695 -15.464 6.887 1.00 0.00 C ATOM 797 CE LYS A 49 -4.731 -16.017 8.303 1.00 0.00 C ATOM 798 NZ LYS A 49 -5.225 -15.008 9.281 1.00 0.00 N ATOM 0 H LYS A 49 -4.303 -12.685 2.596 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.914 -12.394 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.380 -14.774 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.321 -13.583 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.253 -14.051 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.742 -13.324 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.712 -15.376 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.168 -16.162 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.374 -16.897 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.731 -16.343 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.428 -15.474 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.499 -14.277 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.094 -14.567 8.916 1.00 0.00 H new ATOM 812 N GLY A 50 -3.580 -10.561 3.746 1.00 0.00 N ATOM 813 CA GLY A 50 -2.770 -9.383 3.475 1.00 0.00 C ATOM 814 C GLY A 50 -2.030 -8.886 4.702 1.00 0.00 C ATOM 815 O GLY A 50 -0.942 -8.319 4.593 1.00 0.00 O ATOM 0 H GLY A 50 -4.516 -10.536 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.050 -9.615 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.410 -8.587 3.095 1.00 0.00 H new ATOM 819 N VAL A 51 -2.617 -9.106 5.874 1.00 0.00 N ATOM 820 CA VAL A 51 -2.003 -8.685 7.125 1.00 0.00 C ATOM 821 C VAL A 51 -1.250 -9.842 7.773 1.00 0.00 C ATOM 822 O VAL A 51 -1.750 -10.484 8.696 1.00 0.00 O ATOM 823 CB VAL A 51 -3.053 -8.147 8.117 1.00 0.00 C ATOM 824 CG1 VAL A 51 -2.378 -7.565 9.349 1.00 0.00 C ATOM 825 CG2 VAL A 51 -3.941 -7.109 7.445 1.00 0.00 C ATOM 0 H VAL A 51 -3.517 -9.574 5.982 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.304 -7.883 6.885 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.682 -8.978 8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.136 -7.191 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.791 -8.340 9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.722 -6.747 9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.676 -6.741 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.328 -6.279 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.455 -7.564 6.598 1.00 0.00 H new ATOM 835 N GLU A 52 -0.045 -10.104 7.277 1.00 0.00 N ATOM 836 CA GLU A 52 0.782 -11.185 7.800 1.00 0.00 C ATOM 837 C GLU A 52 1.044 -11.000 9.294 1.00 0.00 C ATOM 838 O GLU A 52 0.828 -9.919 9.840 1.00 0.00 O ATOM 839 CB GLU A 52 2.104 -11.253 7.032 1.00 0.00 C ATOM 840 CG GLU A 52 3.019 -12.378 7.486 1.00 0.00 C ATOM 841 CD GLU A 52 4.079 -12.718 6.456 1.00 0.00 C ATOM 842 OE1 GLU A 52 4.325 -11.883 5.559 1.00 0.00 O ATOM 843 OE2 GLU A 52 4.662 -13.819 6.545 1.00 0.00 O ATOM 0 H GLU A 52 0.381 -9.581 6.512 1.00 0.00 H new ATOM 0 HA GLU A 52 0.245 -12.124 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.891 -11.377 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.628 -10.304 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.503 -12.093 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.422 -13.266 7.694 1.00 0.00 H new ATOM 850 N LYS A 53 1.503 -12.061 9.954 1.00 0.00 N ATOM 851 CA LYS A 53 1.783 -12.001 11.385 1.00 0.00 C ATOM 852 C LYS A 53 3.127 -11.331 11.652 1.00 0.00 C ATOM 853 O LYS A 53 4.166 -11.990 11.704 1.00 0.00 O ATOM 854 CB LYS A 53 1.774 -13.407 11.988 1.00 0.00 C ATOM 855 CG LYS A 53 1.990 -13.424 13.493 1.00 0.00 C ATOM 856 CD LYS A 53 2.838 -14.610 13.922 1.00 0.00 C ATOM 857 CE LYS A 53 2.345 -15.203 15.232 1.00 0.00 C ATOM 858 NZ LYS A 53 3.471 -15.635 16.105 1.00 0.00 N ATOM 0 H LYS A 53 1.688 -12.967 9.523 1.00 0.00 H new ATOM 0 HA LYS A 53 1.001 -11.405 11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.821 -13.885 11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.552 -14.003 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.475 -12.498 13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.026 -13.463 13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.817 -15.374 13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.876 -14.296 14.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.739 -14.466 15.759 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.699 -16.056 15.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.093 -16.034 16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.035 -16.357 15.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.074 -14.816 16.325 1.00 0.00 H new ATOM 872 N TYR A 54 3.094 -10.014 11.820 1.00 0.00 N ATOM 873 CA TYR A 54 4.303 -9.237 12.085 1.00 0.00 C ATOM 874 C TYR A 54 4.062 -8.220 13.196 1.00 0.00 C ATOM 875 O TYR A 54 4.949 -7.949 14.005 1.00 0.00 O ATOM 876 CB TYR A 54 4.722 -8.506 10.817 1.00 0.00 C ATOM 877 CG TYR A 54 3.547 -7.877 10.116 1.00 0.00 C ATOM 878 CD1 TYR A 54 2.982 -6.708 10.597 1.00 0.00 C ATOM 879 CD2 TYR A 54 2.986 -8.467 8.995 1.00 0.00 C ATOM 880 CE1 TYR A 54 1.891 -6.139 9.979 1.00 0.00 C ATOM 881 CE2 TYR A 54 1.896 -7.905 8.364 1.00 0.00 C ATOM 882 CZ TYR A 54 1.350 -6.739 8.860 1.00 0.00 C ATOM 883 OH TYR A 54 0.260 -6.176 8.238 1.00 0.00 O ATOM 0 H TYR A 54 2.240 -9.458 11.777 1.00 0.00 H new ATOM 0 HA TYR A 54 5.091 -9.920 12.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.451 -7.735 11.067 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.216 -9.205 10.142 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.404 -6.235 11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.409 -9.382 8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.461 -5.228 10.368 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.473 -8.374 7.488 1.00 0.00 H new ATOM 0 HH TYR A 54 0.521 -5.851 7.351 1.00 0.00 H new ATOM 893 N GLY A 55 2.849 -7.669 13.235 1.00 0.00 N ATOM 894 CA GLY A 55 2.508 -6.700 14.257 1.00 0.00 C ATOM 895 C GLY A 55 2.425 -5.262 13.755 1.00 0.00 C ATOM 896 O GLY A 55 1.331 -4.753 13.511 1.00 0.00 O ATOM 0 H GLY A 55 2.099 -7.879 12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.549 -6.975 14.697 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.251 -6.752 15.053 1.00 0.00 H new ATOM 900 N PRO A 56 3.568 -4.557 13.649 1.00 0.00 N ATOM 901 CA PRO A 56 3.616 -3.147 13.244 1.00 0.00 C ATOM 902 C PRO A 56 3.737 -2.878 11.738 1.00 0.00 C ATOM 903 O PRO A 56 3.351 -1.807 11.275 1.00 0.00 O ATOM 904 CB PRO A 56 4.886 -2.631 13.942 1.00 0.00 C ATOM 905 CG PRO A 56 5.549 -3.823 14.571 1.00 0.00 C ATOM 906 CD PRO A 56 4.905 -5.044 13.981 1.00 0.00 C ATOM 0 HA PRO A 56 2.678 -2.663 13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.553 -2.151 13.226 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.637 -1.884 14.696 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.621 -3.818 14.372 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.425 -3.807 15.654 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.439 -5.401 13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.873 -5.871 14.691 1.00 0.00 H new ATOM 914 N GLU A 57 4.315 -3.808 10.984 1.00 0.00 N ATOM 915 CA GLU A 57 4.528 -3.600 9.544 1.00 0.00 C ATOM 916 C GLU A 57 3.324 -2.972 8.833 1.00 0.00 C ATOM 917 O GLU A 57 3.482 -2.340 7.788 1.00 0.00 O ATOM 918 CB GLU A 57 4.896 -4.914 8.849 1.00 0.00 C ATOM 919 CG GLU A 57 5.217 -4.748 7.370 1.00 0.00 C ATOM 920 CD GLU A 57 6.606 -4.191 7.131 1.00 0.00 C ATOM 921 OE1 GLU A 57 6.858 -3.035 7.529 1.00 0.00 O ATOM 922 OE2 GLU A 57 7.441 -4.910 6.542 1.00 0.00 O ATOM 0 H GLU A 57 4.644 -4.707 11.336 1.00 0.00 H new ATOM 0 HA GLU A 57 5.355 -2.893 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.757 -5.354 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.070 -5.617 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.127 -5.714 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.481 -4.085 6.915 1.00 0.00 H new ATOM 929 N ALA A 58 2.128 -3.159 9.374 1.00 0.00 N ATOM 930 CA ALA A 58 0.925 -2.621 8.745 1.00 0.00 C ATOM 931 C ALA A 58 0.545 -1.227 9.236 1.00 0.00 C ATOM 932 O ALA A 58 0.537 -0.275 8.464 1.00 0.00 O ATOM 933 CB ALA A 58 -0.239 -3.576 8.932 1.00 0.00 C ATOM 0 H ALA A 58 1.963 -3.674 10.239 1.00 0.00 H new ATOM 0 HA ALA A 58 1.158 -2.519 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.129 -3.162 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.001 -4.536 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.427 -3.717 9.996 1.00 0.00 H new ATOM 939 N SER A 59 0.184 -1.116 10.506 1.00 0.00 N ATOM 940 CA SER A 59 -0.244 0.166 11.057 1.00 0.00 C ATOM 941 C SER A 59 0.923 0.988 11.589 1.00 0.00 C ATOM 942 O SER A 59 0.872 2.218 11.590 1.00 0.00 O ATOM 943 CB SER A 59 -1.267 -0.057 12.172 1.00 0.00 C ATOM 944 OG SER A 59 -2.567 -0.247 11.641 1.00 0.00 O ATOM 0 H SER A 59 0.178 -1.889 11.171 1.00 0.00 H new ATOM 0 HA SER A 59 -0.698 0.730 10.242 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.981 -0.927 12.763 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.268 0.800 12.846 1.00 0.00 H new ATOM 0 HG SER A 59 -3.202 -0.389 12.374 1.00 0.00 H new ATOM 950 N ALA A 60 1.959 0.315 12.064 1.00 0.00 N ATOM 951 CA ALA A 60 3.114 1.004 12.624 1.00 0.00 C ATOM 952 C ALA A 60 4.183 1.326 11.581 1.00 0.00 C ATOM 953 O ALA A 60 4.832 2.367 11.663 1.00 0.00 O ATOM 954 CB ALA A 60 3.714 0.180 13.751 1.00 0.00 C ATOM 0 H ALA A 60 2.025 -0.703 12.074 1.00 0.00 H new ATOM 0 HA ALA A 60 2.756 1.958 13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.577 0.702 14.164 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.969 0.036 14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.027 -0.790 13.365 1.00 0.00 H new ATOM 960 N PHE A 61 4.400 0.422 10.629 1.00 0.00 N ATOM 961 CA PHE A 61 5.435 0.623 9.620 1.00 0.00 C ATOM 962 C PHE A 61 4.935 1.339 8.364 1.00 0.00 C ATOM 963 O PHE A 61 5.624 2.207 7.827 1.00 0.00 O ATOM 964 CB PHE A 61 6.038 -0.722 9.236 1.00 0.00 C ATOM 965 CG PHE A 61 7.414 -0.620 8.657 1.00 0.00 C ATOM 966 CD1 PHE A 61 7.592 -0.347 7.313 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.528 -0.797 9.458 1.00 0.00 C ATOM 968 CE1 PHE A 61 8.861 -0.252 6.775 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.800 -0.704 8.928 1.00 0.00 C ATOM 970 CZ PHE A 61 9.967 -0.430 7.584 1.00 0.00 C ATOM 0 H PHE A 61 3.878 -0.449 10.535 1.00 0.00 H new ATOM 0 HA PHE A 61 6.187 1.272 10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.071 -1.361 10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.384 -1.210 8.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.730 -0.207 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.402 -1.010 10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.988 -0.039 5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.662 -0.845 9.563 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.960 -0.355 7.167 1.00 0.00 H new ATOM 980 N THR A 62 3.762 0.947 7.875 1.00 0.00 N ATOM 981 CA THR A 62 3.203 1.530 6.651 1.00 0.00 C ATOM 982 C THR A 62 3.408 3.047 6.571 1.00 0.00 C ATOM 983 O THR A 62 4.138 3.531 5.705 1.00 0.00 O ATOM 984 CB THR A 62 1.716 1.191 6.538 1.00 0.00 C ATOM 985 OG1 THR A 62 1.540 -0.190 6.275 1.00 0.00 O ATOM 986 CG2 THR A 62 0.999 1.955 5.445 1.00 0.00 C ATOM 0 H THR A 62 3.178 0.229 8.304 1.00 0.00 H new ATOM 0 HA THR A 62 3.744 1.092 5.813 1.00 0.00 H new ATOM 0 HB THR A 62 1.285 1.477 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.835 -0.546 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.051 1.662 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.074 3.025 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.457 1.729 4.482 1.00 0.00 H new ATOM 994 N LYS A 63 2.757 3.794 7.456 1.00 0.00 N ATOM 995 CA LYS A 63 2.874 5.247 7.450 1.00 0.00 C ATOM 996 C LYS A 63 4.223 5.716 7.997 1.00 0.00 C ATOM 997 O LYS A 63 4.643 6.845 7.741 1.00 0.00 O ATOM 998 CB LYS A 63 1.722 5.868 8.243 1.00 0.00 C ATOM 999 CG LYS A 63 1.935 5.897 9.751 1.00 0.00 C ATOM 1000 CD LYS A 63 1.996 4.498 10.341 1.00 0.00 C ATOM 1001 CE LYS A 63 2.284 4.539 11.833 1.00 0.00 C ATOM 1002 NZ LYS A 63 1.034 4.578 12.641 1.00 0.00 N ATOM 0 H LYS A 63 2.146 3.420 8.182 1.00 0.00 H new ATOM 0 HA LYS A 63 2.816 5.582 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.564 6.888 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.809 5.312 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.860 6.427 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.125 6.455 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.050 3.985 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.770 3.921 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.870 3.664 12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.891 5.415 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.269 4.775 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.409 5.326 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.549 3.660 12.575 1.00 0.00 H new ATOM 1016 N LYS A 64 4.898 4.853 8.749 1.00 0.00 N ATOM 1017 CA LYS A 64 6.195 5.199 9.324 1.00 0.00 C ATOM 1018 C LYS A 64 7.201 5.558 8.235 1.00 0.00 C ATOM 1019 O LYS A 64 7.804 6.631 8.263 1.00 0.00 O ATOM 1020 CB LYS A 64 6.732 4.039 10.165 1.00 0.00 C ATOM 1021 CG LYS A 64 6.894 4.383 11.637 1.00 0.00 C ATOM 1022 CD LYS A 64 7.968 3.531 12.294 1.00 0.00 C ATOM 1023 CE LYS A 64 8.419 4.128 13.617 1.00 0.00 C ATOM 1024 NZ LYS A 64 7.333 4.101 14.636 1.00 0.00 N ATOM 0 H LYS A 64 4.572 3.913 8.974 1.00 0.00 H new ATOM 0 HA LYS A 64 6.055 6.070 9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.057 3.189 10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.696 3.726 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.152 5.437 11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.945 4.235 12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.585 2.524 12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.823 3.440 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.281 3.575 13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.744 5.156 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.680 4.517 15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.520 4.650 14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.040 3.118 14.805 1.00 0.00 H new ATOM 1038 N MET A 65 7.380 4.653 7.278 1.00 0.00 N ATOM 1039 CA MET A 65 8.318 4.875 6.183 1.00 0.00 C ATOM 1040 C MET A 65 7.956 6.134 5.398 1.00 0.00 C ATOM 1041 O MET A 65 8.822 6.775 4.801 1.00 0.00 O ATOM 1042 CB MET A 65 8.340 3.662 5.250 1.00 0.00 C ATOM 1043 CG MET A 65 9.742 3.202 4.886 1.00 0.00 C ATOM 1044 SD MET A 65 9.744 1.907 3.631 1.00 0.00 S ATOM 1045 CE MET A 65 11.001 0.809 4.279 1.00 0.00 C ATOM 0 H MET A 65 6.889 3.760 7.238 1.00 0.00 H new ATOM 0 HA MET A 65 9.311 5.013 6.611 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.808 2.838 5.726 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.798 3.906 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.317 4.054 4.524 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.244 2.836 5.781 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.849 -0.194 3.880 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.986 1.171 3.985 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.934 0.781 5.367 1.00 0.00 H new ATOM 1055 N VAL A 66 6.674 6.482 5.403 1.00 0.00 N ATOM 1056 CA VAL A 66 6.198 7.662 4.693 1.00 0.00 C ATOM 1057 C VAL A 66 6.628 8.943 5.405 1.00 0.00 C ATOM 1058 O VAL A 66 6.846 9.974 4.769 1.00 0.00 O ATOM 1059 CB VAL A 66 4.662 7.648 4.558 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.179 8.827 3.727 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.194 6.333 3.953 1.00 0.00 C ATOM 0 H VAL A 66 5.945 5.962 5.892 1.00 0.00 H new ATOM 0 HA VAL A 66 6.644 7.639 3.698 1.00 0.00 H new ATOM 0 HB VAL A 66 4.230 7.741 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.092 8.795 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.480 9.758 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.618 8.774 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.108 6.339 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.638 6.209 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.501 5.507 4.595 1.00 0.00 H new ATOM 1071 N GLU A 67 6.745 8.870 6.726 1.00 0.00 N ATOM 1072 CA GLU A 67 7.144 10.025 7.523 1.00 0.00 C ATOM 1073 C GLU A 67 8.665 10.142 7.620 1.00 0.00 C ATOM 1074 O GLU A 67 9.188 11.178 8.032 1.00 0.00 O ATOM 1075 CB GLU A 67 6.538 9.934 8.926 1.00 0.00 C ATOM 1076 CG GLU A 67 5.322 10.825 9.122 1.00 0.00 C ATOM 1077 CD GLU A 67 5.236 11.394 10.525 1.00 0.00 C ATOM 1078 OE1 GLU A 67 5.531 10.652 11.485 1.00 0.00 O ATOM 1079 OE2 GLU A 67 4.874 12.581 10.663 1.00 0.00 O ATOM 0 H GLU A 67 6.569 8.024 7.268 1.00 0.00 H new ATOM 0 HA GLU A 67 6.769 10.918 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.256 8.900 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.298 10.204 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.357 11.644 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.419 10.253 8.910 1.00 0.00 H new ATOM 1086 N ASN A 68 9.374 9.080 7.247 1.00 0.00 N ATOM 1087 CA ASN A 68 10.833 9.082 7.305 1.00 0.00 C ATOM 1088 C ASN A 68 11.441 9.438 5.951 1.00 0.00 C ATOM 1089 O ASN A 68 12.540 9.987 5.881 1.00 0.00 O ATOM 1090 CB ASN A 68 11.346 7.716 7.763 1.00 0.00 C ATOM 1091 CG ASN A 68 10.940 7.394 9.187 1.00 0.00 C ATOM 1092 OD1 ASN A 68 10.613 8.287 9.969 1.00 0.00 O ATOM 1093 ND2 ASN A 68 10.958 6.112 9.532 1.00 0.00 N ATOM 0 H ASN A 68 8.965 8.211 6.903 1.00 0.00 H new ATOM 0 HA ASN A 68 11.138 9.841 8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.962 6.944 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.433 7.694 7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.694 5.835 10.477 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.236 5.405 8.852 1.00 0.00 H new ATOM 1100 N ALA A 69 10.723 9.123 4.877 1.00 0.00 N ATOM 1101 CA ALA A 69 11.198 9.414 3.530 1.00 0.00 C ATOM 1102 C ALA A 69 10.405 10.553 2.901 1.00 0.00 C ATOM 1103 O ALA A 69 9.214 10.714 3.167 1.00 0.00 O ATOM 1104 CB ALA A 69 11.116 8.168 2.662 1.00 0.00 C ATOM 0 H ALA A 69 9.811 8.667 4.914 1.00 0.00 H new ATOM 0 HA ALA A 69 12.239 9.728 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.474 8.399 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.734 7.381 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.081 7.829 2.609 1.00 0.00 H new ATOM 1110 N LYS A 70 11.071 11.339 2.061 1.00 0.00 N ATOM 1111 CA LYS A 70 10.424 12.460 1.390 1.00 0.00 C ATOM 1112 C LYS A 70 9.993 12.074 -0.022 1.00 0.00 C ATOM 1113 O LYS A 70 9.847 12.932 -0.893 1.00 0.00 O ATOM 1114 CB LYS A 70 11.364 13.665 1.339 1.00 0.00 C ATOM 1115 CG LYS A 70 12.726 13.349 0.745 1.00 0.00 C ATOM 1116 CD LYS A 70 13.566 14.605 0.580 1.00 0.00 C ATOM 1117 CE LYS A 70 14.718 14.382 -0.387 1.00 0.00 C ATOM 1118 NZ LYS A 70 15.957 15.081 0.053 1.00 0.00 N ATOM 0 H LYS A 70 12.057 11.220 1.829 1.00 0.00 H new ATOM 0 HA LYS A 70 9.535 12.728 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.896 14.456 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.498 14.053 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.250 12.642 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.599 12.865 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.938 15.419 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.958 14.912 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.916 13.314 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.434 14.736 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.718 14.904 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.776 16.103 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.243 14.725 0.987 1.00 0.00 H new ATOM 1132 N LYS A 71 9.787 10.778 -0.242 1.00 0.00 N ATOM 1133 CA LYS A 71 9.369 10.280 -1.547 1.00 0.00 C ATOM 1134 C LYS A 71 8.433 9.087 -1.397 1.00 0.00 C ATOM 1135 O LYS A 71 8.879 7.958 -1.195 1.00 0.00 O ATOM 1136 CB LYS A 71 10.583 9.875 -2.382 1.00 0.00 C ATOM 1137 CG LYS A 71 11.573 9.003 -1.630 1.00 0.00 C ATOM 1138 CD LYS A 71 13.004 9.293 -2.054 1.00 0.00 C ATOM 1139 CE LYS A 71 13.444 10.683 -1.622 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.349 11.315 -2.623 1.00 0.00 N ATOM 0 H LYS A 71 9.903 10.055 0.468 1.00 0.00 H new ATOM 0 HA LYS A 71 8.838 11.084 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.242 9.341 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.093 10.774 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.468 9.173 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.345 7.953 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.671 8.548 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.089 9.204 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.566 11.313 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.954 10.620 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.028 11.934 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.865 10.575 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.787 11.878 -3.293 1.00 0.00 H new ATOM 1154 N ILE A 72 7.136 9.344 -1.506 1.00 0.00 N ATOM 1155 CA ILE A 72 6.140 8.289 -1.390 1.00 0.00 C ATOM 1156 C ILE A 72 5.288 8.212 -2.648 1.00 0.00 C ATOM 1157 O ILE A 72 4.291 8.922 -2.780 1.00 0.00 O ATOM 1158 CB ILE A 72 5.226 8.505 -0.170 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.066 8.770 1.082 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.321 7.298 0.031 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.996 10.203 1.564 1.00 0.00 C ATOM 0 H ILE A 72 6.750 10.273 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 72 6.680 7.351 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 72 4.598 9.377 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.731 8.109 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.105 8.516 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.680 7.464 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.703 7.155 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.931 6.410 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.615 10.318 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.359 10.868 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.963 10.456 1.805 1.00 0.00 H new ATOM 1173 N GLU A 73 5.688 7.346 -3.573 1.00 0.00 N ATOM 1174 CA GLU A 73 4.959 7.182 -4.822 1.00 0.00 C ATOM 1175 C GLU A 73 4.187 5.870 -4.829 1.00 0.00 C ATOM 1176 O GLU A 73 4.725 4.819 -4.482 1.00 0.00 O ATOM 1177 CB GLU A 73 5.920 7.232 -6.011 1.00 0.00 C ATOM 1178 CG GLU A 73 5.347 7.946 -7.225 1.00 0.00 C ATOM 1179 CD GLU A 73 6.417 8.604 -8.074 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.534 8.050 -8.155 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.138 9.672 -8.658 1.00 0.00 O ATOM 0 H GLU A 73 6.510 6.750 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 73 4.247 8.002 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.838 7.733 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.191 6.214 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.794 7.231 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.635 8.702 -6.894 1.00 0.00 H new ATOM 1188 N VAL A 74 2.922 5.939 -5.222 1.00 0.00 N ATOM 1189 CA VAL A 74 2.075 4.757 -5.270 1.00 0.00 C ATOM 1190 C VAL A 74 1.892 4.270 -6.701 1.00 0.00 C ATOM 1191 O VAL A 74 1.491 5.032 -7.581 1.00 0.00 O ATOM 1192 CB VAL A 74 0.691 5.031 -4.646 1.00 0.00 C ATOM 1193 CG1 VAL A 74 0.836 5.457 -3.192 1.00 0.00 C ATOM 1194 CG2 VAL A 74 -0.063 6.086 -5.444 1.00 0.00 C ATOM 0 H VAL A 74 2.461 6.801 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 74 2.578 3.983 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 74 0.113 4.107 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.150 5.646 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.328 4.664 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.435 6.366 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.036 6.263 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.509 7.014 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.202 5.738 -6.467 1.00 0.00 H new ATOM 1204 N GLU A 75 2.178 2.993 -6.927 1.00 0.00 N ATOM 1205 CA GLU A 75 2.034 2.401 -8.252 1.00 0.00 C ATOM 1206 C GLU A 75 0.572 2.055 -8.522 1.00 0.00 C ATOM 1207 O GLU A 75 0.244 0.920 -8.870 1.00 0.00 O ATOM 1208 CB GLU A 75 2.904 1.146 -8.368 1.00 0.00 C ATOM 1209 CG GLU A 75 2.787 0.442 -9.711 1.00 0.00 C ATOM 1210 CD GLU A 75 4.137 0.109 -10.316 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.019 0.993 -10.322 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.312 -1.036 -10.783 1.00 0.00 O ATOM 0 H GLU A 75 2.511 2.348 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 75 2.364 3.127 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.946 1.420 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.627 0.449 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.213 -0.476 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.230 1.075 -10.401 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.306 3.037 -8.342 1.00 0.00 N ATOM 1220 CA PHE A 76 -1.731 2.832 -8.547 1.00 0.00 C ATOM 1221 C PHE A 76 -2.173 3.292 -9.937 1.00 0.00 C ATOM 1222 O PHE A 76 -1.597 4.216 -10.511 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.515 3.553 -7.440 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.186 4.836 -7.848 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -2.486 5.834 -8.506 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -4.523 5.042 -7.555 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -3.111 7.012 -8.867 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.153 6.216 -7.910 1.00 0.00 C ATOM 1229 CZ PHE A 76 -4.447 7.204 -8.569 1.00 0.00 C ATOM 0 H PHE A 76 -0.053 3.982 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.943 1.764 -8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.275 2.873 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.833 3.766 -6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.441 5.690 -8.739 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.080 4.273 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.556 7.782 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.196 6.363 -7.673 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.938 8.124 -8.851 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.201 2.635 -10.466 1.00 0.00 N ATOM 1240 CA ASP A 77 -3.730 2.966 -11.783 1.00 0.00 C ATOM 1241 C ASP A 77 -4.645 4.183 -11.711 1.00 0.00 C ATOM 1242 O ASP A 77 -5.158 4.523 -10.644 1.00 0.00 O ATOM 1243 CB ASP A 77 -4.501 1.773 -12.356 1.00 0.00 C ATOM 1244 CG ASP A 77 -4.689 1.872 -13.858 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -3.723 1.593 -14.597 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -5.804 2.229 -14.294 1.00 0.00 O ATOM 0 H ASP A 77 -3.685 1.868 -10.000 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.890 3.201 -12.437 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.968 0.852 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.477 1.709 -11.874 1.00 0.00 H new ATOM 1251 N LYS A 78 -4.853 4.830 -12.852 1.00 0.00 N ATOM 1252 CA LYS A 78 -5.717 6.004 -12.917 1.00 0.00 C ATOM 1253 C LYS A 78 -7.113 5.613 -13.394 1.00 0.00 C ATOM 1254 O LYS A 78 -7.815 6.405 -14.022 1.00 0.00 O ATOM 1255 CB LYS A 78 -5.115 7.058 -13.849 1.00 0.00 C ATOM 1256 CG LYS A 78 -5.089 8.456 -13.252 1.00 0.00 C ATOM 1257 CD LYS A 78 -3.750 8.757 -12.596 1.00 0.00 C ATOM 1258 CE LYS A 78 -3.258 10.152 -12.948 1.00 0.00 C ATOM 1259 NZ LYS A 78 -3.640 11.153 -11.913 1.00 0.00 N ATOM 0 H LYS A 78 -4.436 4.562 -13.744 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.798 6.429 -11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.098 6.764 -14.108 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.686 7.079 -14.777 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.286 9.190 -14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.886 8.553 -12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.845 8.666 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.014 8.019 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.174 10.138 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.671 10.450 -13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.984 11.959 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.608 11.486 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.595 10.713 -10.972 1.00 0.00 H new ATOM 1273 N GLY A 79 -7.504 4.384 -13.078 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.804 3.881 -13.456 1.00 0.00 C ATOM 1275 C GLY A 79 -9.213 2.756 -12.539 1.00 0.00 C ATOM 1276 O GLY A 79 -9.834 1.780 -12.961 1.00 0.00 O ATOM 0 H GLY A 79 -6.930 3.720 -12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.540 4.684 -13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.780 3.529 -14.487 1.00 0.00 H new ATOM 1280 N GLN A 80 -8.834 2.897 -11.274 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.127 1.895 -10.267 1.00 0.00 C ATOM 1282 C GLN A 80 -10.573 2.004 -9.804 1.00 0.00 C ATOM 1283 O GLN A 80 -11.028 3.060 -9.365 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.143 2.044 -9.092 1.00 0.00 C ATOM 1285 CG GLN A 80 -8.774 2.007 -7.704 1.00 0.00 C ATOM 1286 CD GLN A 80 -9.100 0.597 -7.250 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -8.354 -0.344 -7.525 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -10.218 0.442 -6.551 1.00 0.00 N ATOM 0 H GLN A 80 -8.319 3.705 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.001 0.902 -10.698 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.402 1.248 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.608 2.987 -9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.094 2.468 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.686 2.604 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.807 1.249 -6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.488 -0.484 -6.219 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.282 0.895 -9.915 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.684 0.835 -9.516 1.00 0.00 C ATOM 1299 C ARG A 81 -12.828 0.984 -8.005 1.00 0.00 C ATOM 1300 O ARG A 81 -12.843 -0.005 -7.273 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.312 -0.484 -9.971 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.813 -0.554 -9.737 1.00 0.00 C ATOM 1303 CD ARG A 81 -15.401 -1.849 -10.273 1.00 0.00 C ATOM 1304 NE ARG A 81 -16.571 -2.276 -9.509 1.00 0.00 N ATOM 1305 CZ ARG A 81 -17.132 -3.477 -9.623 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -16.637 -4.371 -10.470 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -18.192 -3.786 -8.888 1.00 0.00 N ATOM 0 H ARG A 81 -10.911 0.018 -10.280 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.206 1.663 -9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.111 -0.626 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.831 -1.307 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.020 -0.474 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.298 0.294 -10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.680 -1.715 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.643 -2.631 -10.243 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.982 -1.615 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.822 -4.139 -11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.071 -5.290 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.577 -3.103 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.622 -4.707 -8.975 1.00 0.00 H new ATOM 1321 N THR A 82 -12.934 2.226 -7.546 1.00 0.00 N ATOM 1322 CA THR A 82 -13.076 2.506 -6.121 1.00 0.00 C ATOM 1323 C THR A 82 -14.542 2.709 -5.749 1.00 0.00 C ATOM 1324 O THR A 82 -15.382 2.972 -6.610 1.00 0.00 O ATOM 1325 CB THR A 82 -12.268 3.748 -5.741 1.00 0.00 C ATOM 1326 OG1 THR A 82 -10.895 3.562 -6.035 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.382 4.111 -4.275 1.00 0.00 C ATOM 0 H THR A 82 -12.924 3.055 -8.140 1.00 0.00 H new ATOM 0 HA THR A 82 -12.694 1.647 -5.569 1.00 0.00 H new ATOM 0 HB THR A 82 -12.690 4.560 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.398 4.374 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.785 5.000 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.425 4.310 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.018 3.284 -3.666 1.00 0.00 H new ATOM 1335 N ASP A 83 -14.840 2.590 -4.459 1.00 0.00 N ATOM 1336 CA ASP A 83 -16.202 2.766 -3.968 1.00 0.00 C ATOM 1337 C ASP A 83 -16.537 4.247 -3.829 1.00 0.00 C ATOM 1338 O ASP A 83 -17.538 4.722 -4.367 1.00 0.00 O ATOM 1339 CB ASP A 83 -16.377 2.063 -2.620 1.00 0.00 C ATOM 1340 CG ASP A 83 -16.469 0.556 -2.760 1.00 0.00 C ATOM 1341 OD1 ASP A 83 -15.588 -0.034 -3.420 1.00 0.00 O ATOM 1342 OD2 ASP A 83 -17.422 -0.034 -2.210 1.00 0.00 O ATOM 0 H ASP A 83 -14.156 2.372 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.885 2.321 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.538 2.314 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.279 2.435 -2.134 1.00 0.00 H new ATOM 1347 N LYS A 84 -15.689 4.974 -3.108 1.00 0.00 N ATOM 1348 CA LYS A 84 -15.890 6.404 -2.900 1.00 0.00 C ATOM 1349 C LYS A 84 -14.586 7.168 -3.107 1.00 0.00 C ATOM 1350 O LYS A 84 -14.444 7.920 -4.071 1.00 0.00 O ATOM 1351 CB LYS A 84 -16.436 6.669 -1.496 1.00 0.00 C ATOM 1352 CG LYS A 84 -17.192 7.984 -1.377 1.00 0.00 C ATOM 1353 CD LYS A 84 -18.635 7.764 -0.951 1.00 0.00 C ATOM 1354 CE LYS A 84 -19.196 8.979 -0.231 1.00 0.00 C ATOM 1355 NZ LYS A 84 -18.300 9.439 0.865 1.00 0.00 N ATOM 0 H LYS A 84 -14.855 4.596 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.618 6.754 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.098 5.851 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.608 6.670 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.692 8.627 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.170 8.505 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.245 7.546 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.694 6.894 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.341 9.789 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -20.176 8.737 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.865 9.908 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.806 8.621 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.602 10.110 0.484 1.00 0.00 H new ATOM 1369 N TYR A 85 -13.634 6.970 -2.199 1.00 0.00 N ATOM 1370 CA TYR A 85 -12.341 7.643 -2.289 1.00 0.00 C ATOM 1371 C TYR A 85 -11.350 7.067 -1.291 1.00 0.00 C ATOM 1372 O TYR A 85 -10.415 7.751 -0.874 1.00 0.00 O ATOM 1373 CB TYR A 85 -12.496 9.139 -2.023 1.00 0.00 C ATOM 1374 CG TYR A 85 -12.802 9.954 -3.260 1.00 0.00 C ATOM 1375 CD1 TYR A 85 -12.050 9.804 -4.419 1.00 0.00 C ATOM 1376 CD2 TYR A 85 -13.842 10.875 -3.267 1.00 0.00 C ATOM 1377 CE1 TYR A 85 -12.325 10.549 -5.549 1.00 0.00 C ATOM 1378 CE2 TYR A 85 -14.124 11.623 -4.394 1.00 0.00 C ATOM 1379 CZ TYR A 85 -13.363 11.457 -5.532 1.00 0.00 C ATOM 1380 OH TYR A 85 -13.641 12.200 -6.656 1.00 0.00 O ATOM 0 H TYR A 85 -13.733 6.351 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.962 7.485 -3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -13.294 9.288 -1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.578 9.514 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.237 9.093 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.440 11.008 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.730 10.421 -6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.937 12.334 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.402 12.791 -6.478 1.00 0.00 H new ATOM 1390 N GLY A 86 -11.558 5.819 -0.893 1.00 0.00 N ATOM 1391 CA GLY A 86 -10.665 5.215 0.069 1.00 0.00 C ATOM 1392 C GLY A 86 -10.287 3.786 -0.256 1.00 0.00 C ATOM 1393 O GLY A 86 -9.481 3.180 0.448 1.00 0.00 O ATOM 0 H GLY A 86 -12.320 5.222 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.757 5.815 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.135 5.241 1.052 1.00 0.00 H new ATOM 1397 N ARG A 87 -10.870 3.226 -1.304 1.00 0.00 N ATOM 1398 CA ARG A 87 -10.569 1.849 -1.666 1.00 0.00 C ATOM 1399 C ARG A 87 -9.852 1.776 -3.000 1.00 0.00 C ATOM 1400 O ARG A 87 -10.198 0.984 -3.876 1.00 0.00 O ATOM 1401 CB ARG A 87 -11.842 1.010 -1.663 1.00 0.00 C ATOM 1402 CG ARG A 87 -12.214 0.510 -0.272 1.00 0.00 C ATOM 1403 CD ARG A 87 -11.798 1.499 0.814 1.00 0.00 C ATOM 1404 NE ARG A 87 -12.513 1.274 2.067 1.00 0.00 N ATOM 1405 CZ ARG A 87 -12.308 0.227 2.863 1.00 0.00 C ATOM 1406 NH1 ARG A 87 -11.407 -0.694 2.543 1.00 0.00 N ATOM 1407 NH2 ARG A 87 -13.005 0.101 3.985 1.00 0.00 N ATOM 0 H ARG A 87 -11.544 3.694 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.893 1.435 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.664 1.603 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.711 0.157 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.290 0.345 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.735 -0.452 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.726 1.414 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.985 2.516 0.468 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.212 1.961 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.867 -0.602 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.255 -1.494 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.697 0.806 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.848 -0.701 4.595 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.831 2.609 -3.123 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.013 2.666 -4.319 1.00 0.00 C ATOM 1423 C TRP A 88 -6.826 1.718 -4.181 1.00 0.00 C ATOM 1424 O TRP A 88 -6.255 1.588 -3.100 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.501 4.092 -4.521 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.531 5.047 -5.039 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.399 5.787 -4.291 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.796 5.378 -6.409 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.191 6.555 -5.108 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.843 6.321 -6.412 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.254 4.971 -7.634 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.357 6.861 -7.589 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.766 5.508 -8.799 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.808 6.443 -8.770 1.00 0.00 C ATOM 0 H TRP A 88 -8.548 3.264 -2.395 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.615 2.368 -5.177 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.119 4.467 -3.571 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.661 4.069 -5.215 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.455 5.771 -3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.920 7.196 -4.795 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.450 4.250 -7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.160 7.583 -7.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.355 5.201 -9.750 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.186 6.842 -9.699 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.444 1.069 -5.272 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.309 0.151 -5.240 1.00 0.00 C ATOM 1447 C LEU A 89 -4.006 0.944 -5.238 1.00 0.00 C ATOM 1448 O LEU A 89 -3.995 2.108 -5.626 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.368 -0.814 -6.438 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.741 -0.337 -7.765 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.942 1.159 -8.000 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.262 -0.689 -7.811 1.00 0.00 C ATOM 0 H LEU A 89 -6.896 1.158 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.353 -0.445 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.876 -1.742 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.415 -1.053 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.258 -0.859 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.482 1.444 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.008 1.382 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.479 1.720 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.835 -0.346 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.747 -0.205 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.142 -1.769 -7.731 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.912 0.332 -4.784 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.628 1.032 -4.742 1.00 0.00 C ATOM 1466 C ALA A 90 -0.547 0.219 -4.036 1.00 0.00 C ATOM 1467 O ALA A 90 -0.834 -0.743 -3.324 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.785 2.384 -4.058 1.00 0.00 C ATOM 0 H ALA A 90 -2.887 -0.630 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.310 1.177 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.822 2.894 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.503 2.990 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.143 2.237 -3.039 1.00 0.00 H new ATOM 1474 N TYR A 91 0.700 0.637 -4.236 1.00 0.00 N ATOM 1475 CA TYR A 91 1.851 -0.017 -3.623 1.00 0.00 C ATOM 1476 C TYR A 91 2.746 1.023 -2.951 1.00 0.00 C ATOM 1477 O TYR A 91 3.929 1.145 -3.272 1.00 0.00 O ATOM 1478 CB TYR A 91 2.646 -0.793 -4.675 1.00 0.00 C ATOM 1479 CG TYR A 91 1.916 -2.000 -5.222 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.785 -1.852 -6.015 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.361 -3.287 -4.948 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.118 -2.952 -6.518 1.00 0.00 C ATOM 1483 CE2 TYR A 91 1.700 -4.392 -5.447 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.579 -4.220 -6.232 1.00 0.00 C ATOM 1485 OH TYR A 91 -0.083 -5.318 -6.731 1.00 0.00 O ATOM 0 H TYR A 91 0.940 1.435 -4.825 1.00 0.00 H new ATOM 0 HA TYR A 91 1.494 -0.719 -2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.891 -0.123 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.590 -1.118 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.421 -0.861 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.239 -3.426 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.760 -2.820 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.059 -5.386 -5.224 1.00 0.00 H new ATOM 0 HH TYR A 91 0.371 -6.135 -6.437 1.00 0.00 H new ATOM 1495 N ILE A 92 2.160 1.781 -2.027 1.00 0.00 N ATOM 1496 CA ILE A 92 2.876 2.835 -1.305 1.00 0.00 C ATOM 1497 C ILE A 92 4.279 2.403 -0.884 1.00 0.00 C ATOM 1498 O ILE A 92 4.455 1.366 -0.243 1.00 0.00 O ATOM 1499 CB ILE A 92 2.101 3.277 -0.047 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.627 3.522 -0.383 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.729 4.527 0.551 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.281 2.377 0.010 1.00 0.00 C ATOM 0 H ILE A 92 1.181 1.684 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 92 2.961 3.669 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 92 2.155 2.477 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.294 4.429 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.532 3.700 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.170 4.826 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.763 4.319 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.704 5.333 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.309 2.620 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.027 1.472 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.215 2.213 1.086 1.00 0.00 H new ATOM 1514 N TYR A 93 5.273 3.219 -1.233 1.00 0.00 N ATOM 1515 CA TYR A 93 6.658 2.935 -0.874 1.00 0.00 C ATOM 1516 C TYR A 93 7.407 4.214 -0.528 1.00 0.00 C ATOM 1517 O TYR A 93 7.182 5.261 -1.131 1.00 0.00 O ATOM 1518 CB TYR A 93 7.387 2.195 -2.000 1.00 0.00 C ATOM 1519 CG TYR A 93 7.167 2.761 -3.381 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.639 4.021 -3.728 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.498 2.021 -4.345 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.448 4.527 -4.999 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.302 2.519 -5.618 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.778 3.772 -5.941 1.00 0.00 C ATOM 1525 OH TYR A 93 6.587 4.270 -7.210 1.00 0.00 O ATOM 0 H TYR A 93 5.143 4.081 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 93 6.636 2.291 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.456 2.202 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.068 1.153 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.163 4.614 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.124 1.039 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.821 5.508 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.779 1.930 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 93 6.099 3.613 -7.749 1.00 0.00 H new ATOM 1535 N ALA A 94 8.302 4.117 0.448 1.00 0.00 N ATOM 1536 CA ALA A 94 9.092 5.263 0.878 1.00 0.00 C ATOM 1537 C ALA A 94 10.563 5.065 0.535 1.00 0.00 C ATOM 1538 O ALA A 94 11.175 4.072 0.927 1.00 0.00 O ATOM 1539 CB ALA A 94 8.919 5.492 2.372 1.00 0.00 C ATOM 0 H ALA A 94 8.498 3.255 0.957 1.00 0.00 H new ATOM 0 HA ALA A 94 8.735 6.145 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.515 6.351 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.868 5.681 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.250 4.607 2.916 1.00 0.00 H new ATOM 1545 N ASP A 95 11.124 6.016 -0.204 1.00 0.00 N ATOM 1546 CA ASP A 95 12.525 5.947 -0.607 1.00 0.00 C ATOM 1547 C ASP A 95 12.752 4.803 -1.591 1.00 0.00 C ATOM 1548 O ASP A 95 13.841 4.234 -1.655 1.00 0.00 O ATOM 1549 CB ASP A 95 13.429 5.775 0.618 1.00 0.00 C ATOM 1550 CG ASP A 95 14.366 6.950 0.814 1.00 0.00 C ATOM 1551 OD1 ASP A 95 13.869 8.083 0.990 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.597 6.738 0.794 1.00 0.00 O ATOM 0 H ASP A 95 10.630 6.844 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 95 12.779 6.884 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.811 5.654 1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.014 4.862 0.509 1.00 0.00 H new ATOM 1557 N GLY A 96 11.718 4.476 -2.360 1.00 0.00 N ATOM 1558 CA GLY A 96 11.827 3.407 -3.336 1.00 0.00 C ATOM 1559 C GLY A 96 11.376 2.061 -2.795 1.00 0.00 C ATOM 1560 O GLY A 96 10.796 1.258 -3.525 1.00 0.00 O ATOM 0 H GLY A 96 10.806 4.932 -2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.229 3.659 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.862 3.330 -3.669 1.00 0.00 H new ATOM 1564 N LYS A 97 11.648 1.809 -1.518 1.00 0.00 N ATOM 1565 CA LYS A 97 11.268 0.545 -0.893 1.00 0.00 C ATOM 1566 C LYS A 97 9.844 0.606 -0.345 1.00 0.00 C ATOM 1567 O LYS A 97 9.480 1.542 0.366 1.00 0.00 O ATOM 1568 CB LYS A 97 12.246 0.191 0.230 1.00 0.00 C ATOM 1569 CG LYS A 97 12.372 1.271 1.292 1.00 0.00 C ATOM 1570 CD LYS A 97 13.586 2.153 1.049 1.00 0.00 C ATOM 1571 CE LYS A 97 14.259 2.547 2.354 1.00 0.00 C ATOM 1572 NZ LYS A 97 15.578 3.198 2.125 1.00 0.00 N ATOM 0 H LYS A 97 12.128 2.460 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 97 11.306 -0.231 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.922 -0.736 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.229 0.002 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.471 1.884 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.448 0.808 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.299 1.626 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.283 3.050 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.610 3.227 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.394 1.661 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.196 3.028 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.018 2.800 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.443 4.222 2.000 1.00 0.00 H new ATOM 1586 N MET A 98 9.044 -0.400 -0.685 1.00 0.00 N ATOM 1587 CA MET A 98 7.658 -0.467 -0.232 1.00 0.00 C ATOM 1588 C MET A 98 7.569 -0.962 1.205 1.00 0.00 C ATOM 1589 O MET A 98 8.408 -1.737 1.662 1.00 0.00 O ATOM 1590 CB MET A 98 6.841 -1.378 -1.149 1.00 0.00 C ATOM 1591 CG MET A 98 5.348 -1.099 -1.109 1.00 0.00 C ATOM 1592 SD MET A 98 4.359 -2.541 -1.549 1.00 0.00 S ATOM 1593 CE MET A 98 2.888 -2.253 -0.568 1.00 0.00 C ATOM 0 H MET A 98 9.332 -1.182 -1.274 1.00 0.00 H new ATOM 0 HA MET A 98 7.247 0.542 -0.271 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.197 -1.262 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.016 -2.416 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.072 -0.765 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.117 -0.282 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.117 -2.970 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.126 -2.372 0.489 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.524 -1.241 -0.746 1.00 0.00 H new ATOM 1603 N VAL A 99 6.537 -0.507 1.912 1.00 0.00 N ATOM 1604 CA VAL A 99 6.324 -0.899 3.300 1.00 0.00 C ATOM 1605 C VAL A 99 6.368 -2.416 3.451 1.00 0.00 C ATOM 1606 O VAL A 99 7.009 -2.941 4.361 1.00 0.00 O ATOM 1607 CB VAL A 99 4.976 -0.369 3.828 1.00 0.00 C ATOM 1608 CG1 VAL A 99 4.922 1.147 3.708 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.814 -1.009 3.082 1.00 0.00 C ATOM 0 H VAL A 99 5.835 0.135 1.544 1.00 0.00 H new ATOM 0 HA VAL A 99 7.130 -0.459 3.888 1.00 0.00 H new ATOM 0 HB VAL A 99 4.889 -0.637 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.965 1.508 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.731 1.587 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.032 1.433 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.873 -0.620 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.891 -0.776 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.844 -2.090 3.220 1.00 0.00 H new ATOM 1619 N ASN A 100 5.696 -3.115 2.541 1.00 0.00 N ATOM 1620 CA ASN A 100 5.675 -4.571 2.563 1.00 0.00 C ATOM 1621 C ASN A 100 7.056 -5.118 2.226 1.00 0.00 C ATOM 1622 O ASN A 100 7.470 -6.158 2.735 1.00 0.00 O ATOM 1623 CB ASN A 100 4.641 -5.108 1.572 1.00 0.00 C ATOM 1624 CG ASN A 100 3.233 -5.077 2.133 1.00 0.00 C ATOM 1625 OD1 ASN A 100 2.788 -4.063 2.671 1.00 0.00 O ATOM 1626 ND2 ASN A 100 2.523 -6.193 2.011 1.00 0.00 N ATOM 0 H ASN A 100 5.160 -2.696 1.781 1.00 0.00 H new ATOM 0 HA ASN A 100 5.397 -4.899 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.678 -4.517 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.899 -6.132 1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.569 -6.233 2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.932 -7.010 1.558 1.00 0.00 H new ATOM 1633 N GLU A 101 7.772 -4.394 1.371 1.00 0.00 N ATOM 1634 CA GLU A 101 9.116 -4.788 0.971 1.00 0.00 C ATOM 1635 C GLU A 101 10.115 -4.527 2.101 1.00 0.00 C ATOM 1636 O GLU A 101 11.277 -4.927 2.021 1.00 0.00 O ATOM 1637 CB GLU A 101 9.536 -4.026 -0.291 1.00 0.00 C ATOM 1638 CG GLU A 101 9.959 -4.933 -1.436 1.00 0.00 C ATOM 1639 CD GLU A 101 11.465 -5.013 -1.590 1.00 0.00 C ATOM 1640 OE1 GLU A 101 12.130 -5.525 -0.665 1.00 0.00 O ATOM 1641 OE2 GLU A 101 11.980 -4.561 -2.635 1.00 0.00 O ATOM 0 H GLU A 101 7.442 -3.530 0.942 1.00 0.00 H new ATOM 0 HA GLU A 101 9.112 -5.856 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.706 -3.401 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.361 -3.357 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.561 -5.934 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.521 -4.568 -2.365 1.00 0.00 H new ATOM 1648 N ALA A 102 9.655 -3.842 3.146 1.00 0.00 N ATOM 1649 CA ALA A 102 10.498 -3.508 4.287 1.00 0.00 C ATOM 1650 C ALA A 102 11.165 -4.740 4.899 1.00 0.00 C ATOM 1651 O ALA A 102 12.329 -5.025 4.617 1.00 0.00 O ATOM 1652 CB ALA A 102 9.683 -2.769 5.338 1.00 0.00 C ATOM 0 H ALA A 102 8.695 -3.506 3.224 1.00 0.00 H new ATOM 0 HA ALA A 102 11.296 -2.861 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.321 -2.523 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.282 -1.851 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.861 -3.402 5.673 1.00 0.00 H new ATOM 1658 N LEU A 103 10.436 -5.456 5.756 1.00 0.00 N ATOM 1659 CA LEU A 103 10.990 -6.636 6.418 1.00 0.00 C ATOM 1660 C LEU A 103 10.285 -7.928 6.013 1.00 0.00 C ATOM 1661 O LEU A 103 10.657 -9.005 6.470 1.00 0.00 O ATOM 1662 CB LEU A 103 10.914 -6.477 7.937 1.00 0.00 C ATOM 1663 CG LEU A 103 9.664 -5.769 8.466 1.00 0.00 C ATOM 1664 CD1 LEU A 103 9.395 -6.172 9.907 1.00 0.00 C ATOM 1665 CD2 LEU A 103 9.815 -4.260 8.354 1.00 0.00 C ATOM 0 H LEU A 103 9.470 -5.242 6.006 1.00 0.00 H new ATOM 0 HA LEU A 103 12.029 -6.711 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.969 -7.466 8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.792 -5.924 8.271 1.00 0.00 H new ATOM 0 HG LEU A 103 8.813 -6.074 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.503 -5.660 10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.241 -7.250 9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.248 -5.896 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.916 -3.775 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.677 -3.936 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.960 -3.985 7.309 1.00 0.00 H new ATOM 1677 N VAL A 104 9.275 -7.836 5.161 1.00 0.00 N ATOM 1678 CA VAL A 104 8.558 -9.034 4.731 1.00 0.00 C ATOM 1679 C VAL A 104 9.406 -9.895 3.798 1.00 0.00 C ATOM 1680 O VAL A 104 8.970 -10.959 3.357 1.00 0.00 O ATOM 1681 CB VAL A 104 7.225 -8.708 4.031 1.00 0.00 C ATOM 1682 CG1 VAL A 104 6.376 -9.964 3.930 1.00 0.00 C ATOM 1683 CG2 VAL A 104 6.468 -7.610 4.768 1.00 0.00 C ATOM 0 H VAL A 104 8.935 -6.963 4.758 1.00 0.00 H new ATOM 0 HA VAL A 104 8.344 -9.588 5.645 1.00 0.00 H new ATOM 0 HB VAL A 104 7.444 -8.342 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.434 -9.728 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.910 -10.719 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.173 -10.348 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.532 -7.403 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.255 -7.936 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.075 -6.705 4.796 1.00 0.00 H new ATOM 1693 N ARG A 105 10.615 -9.433 3.494 1.00 0.00 N ATOM 1694 CA ARG A 105 11.512 -10.162 2.611 1.00 0.00 C ATOM 1695 C ARG A 105 12.258 -11.270 3.355 1.00 0.00 C ATOM 1696 O ARG A 105 12.490 -12.345 2.803 1.00 0.00 O ATOM 1697 CB ARG A 105 12.508 -9.194 1.973 1.00 0.00 C ATOM 1698 CG ARG A 105 11.881 -7.884 1.514 1.00 0.00 C ATOM 1699 CD ARG A 105 10.540 -8.103 0.824 1.00 0.00 C ATOM 1700 NE ARG A 105 10.562 -9.254 -0.079 1.00 0.00 N ATOM 1701 CZ ARG A 105 9.532 -9.620 -0.840 1.00 0.00 C ATOM 1702 NH1 ARG A 105 8.399 -8.929 -0.813 1.00 0.00 N ATOM 1703 NH2 ARG A 105 9.636 -10.680 -1.631 1.00 0.00 N ATOM 0 H ARG A 105 10.994 -8.555 3.848 1.00 0.00 H new ATOM 0 HA ARG A 105 10.911 -10.633 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 105 13.299 -8.976 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.978 -9.681 1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.744 -7.227 2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.562 -7.376 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.766 -8.250 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.273 -7.208 0.262 1.00 0.00 H new ATOM 0 HE ARG A 105 11.416 -9.809 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 105 8.314 -8.113 -0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.614 -9.214 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.504 -11.214 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.847 -10.961 -2.214 1.00 0.00 H new ATOM 1717 N GLN A 106 12.638 -11.007 4.604 1.00 0.00 N ATOM 1718 CA GLN A 106 13.361 -11.999 5.397 1.00 0.00 C ATOM 1719 C GLN A 106 12.436 -12.718 6.382 1.00 0.00 C ATOM 1720 O GLN A 106 12.792 -13.765 6.923 1.00 0.00 O ATOM 1721 CB GLN A 106 14.546 -11.350 6.130 1.00 0.00 C ATOM 1722 CG GLN A 106 14.205 -10.759 7.488 1.00 0.00 C ATOM 1723 CD GLN A 106 13.091 -9.740 7.413 1.00 0.00 C ATOM 1724 OE1 GLN A 106 13.115 -8.837 6.576 1.00 0.00 O ATOM 1725 NE2 GLN A 106 12.108 -9.879 8.290 1.00 0.00 N ATOM 0 H GLN A 106 12.460 -10.125 5.085 1.00 0.00 H new ATOM 0 HA GLN A 106 13.751 -12.750 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.329 -12.097 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.959 -10.563 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.914 -11.561 8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 106 15.094 -10.290 7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.131 -10.643 8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.328 -9.222 8.290 1.00 0.00 H new ATOM 1734 N GLY A 107 11.243 -12.165 6.602 1.00 0.00 N ATOM 1735 CA GLY A 107 10.296 -12.793 7.513 1.00 0.00 C ATOM 1736 C GLY A 107 9.736 -11.836 8.547 1.00 0.00 C ATOM 1737 O GLY A 107 9.442 -12.233 9.674 1.00 0.00 O ATOM 0 H GLY A 107 10.917 -11.301 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.474 -13.216 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 107 10.787 -13.622 8.023 1.00 0.00 H new ATOM 1741 N LEU A 108 9.583 -10.575 8.155 1.00 0.00 N ATOM 1742 CA LEU A 108 9.048 -9.535 9.035 1.00 0.00 C ATOM 1743 C LEU A 108 9.616 -9.630 10.448 1.00 0.00 C ATOM 1744 O LEU A 108 9.158 -10.425 11.268 1.00 0.00 O ATOM 1745 CB LEU A 108 7.523 -9.604 9.069 1.00 0.00 C ATOM 1746 CG LEU A 108 6.844 -9.113 7.791 1.00 0.00 C ATOM 1747 CD1 LEU A 108 5.519 -9.826 7.574 1.00 0.00 C ATOM 1748 CD2 LEU A 108 6.654 -7.601 7.831 1.00 0.00 C ATOM 0 H LEU A 108 9.825 -10.243 7.221 1.00 0.00 H new ATOM 0 HA LEU A 108 9.355 -8.572 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.221 -10.635 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.162 -9.011 9.909 1.00 0.00 H new ATOM 0 HG LEU A 108 7.491 -9.349 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.054 -9.460 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.693 -10.899 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.858 -9.631 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.169 -7.271 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.032 -7.335 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.625 -7.115 7.924 1.00 0.00 H new ATOM 1760 N ALA A 109 10.616 -8.800 10.719 1.00 0.00 N ATOM 1761 CA ALA A 109 11.260 -8.766 12.023 1.00 0.00 C ATOM 1762 C ALA A 109 10.268 -8.384 13.117 1.00 0.00 C ATOM 1763 O ALA A 109 9.730 -7.277 13.121 1.00 0.00 O ATOM 1764 CB ALA A 109 12.424 -7.787 11.991 1.00 0.00 C ATOM 0 H ALA A 109 11.000 -8.137 10.046 1.00 0.00 H new ATOM 0 HA ALA A 109 11.636 -9.763 12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.906 -7.762 12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 109 13.146 -8.105 11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.056 -6.792 11.743 1.00 0.00 H new ATOM 1770 N LYS A 110 10.029 -9.307 14.043 1.00 0.00 N ATOM 1771 CA LYS A 110 9.102 -9.064 15.141 1.00 0.00 C ATOM 1772 C LYS A 110 9.855 -8.757 16.432 1.00 0.00 C ATOM 1773 O LYS A 110 9.279 -8.071 17.302 1.00 0.00 O ATOM 1774 CB LYS A 110 8.190 -10.276 15.344 1.00 0.00 C ATOM 1775 CG LYS A 110 7.419 -10.671 14.095 1.00 0.00 C ATOM 1776 CD LYS A 110 6.962 -12.121 14.156 1.00 0.00 C ATOM 1777 CE LYS A 110 7.227 -12.845 12.846 1.00 0.00 C ATOM 1778 NZ LYS A 110 8.559 -13.510 12.839 1.00 0.00 N ATOM 1779 OXT LYS A 110 11.013 -9.206 16.561 1.00 0.00 O ATOM 0 H LYS A 110 10.464 -10.229 14.054 1.00 0.00 H new ATOM 0 HA LYS A 110 8.492 -8.198 14.883 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.792 -11.123 15.672 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.483 -10.058 16.144 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.552 -10.020 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.047 -10.523 13.217 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.480 -12.633 14.967 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.897 -12.158 14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.449 -13.590 12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.171 -12.135 12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.701 -13.992 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.304 -12.797 12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.604 -14.206 13.610 1.00 0.00 H new TER 1793 LYS A 110