USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O3 : rot 180:sc= 0 USER MOD Set 1.2: A 122 A2G O6 : rot -22:sc= 0.0397 USER MOD Set 2.1: A 118 A2G O3 : rot 20:sc= 0.599 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0.576 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -114:sc= 1.8 (180deg=-0.0478) USER MOD Set 5.1: A 34 GLN : amide:sc= -4.63 K(o=-5,f=-6.8!) USER MOD Set 5.2: A 68 THR OG1 : rot 180:sc= -0.322 USER MOD Set 6.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 174:sc= -1.34 (180deg=-1.59) USER MOD Single : A 5 LYS NZ :NH3+ -139:sc= 0.0845 (180deg=-0.929) USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.31 F(o=-1.9,f=-1.3) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.11 (180deg=-0.819) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 36 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -1.48 (180deg=-2.36) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00162 USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= 1.1 (180deg=-0.874) USER MOD Single : A 49 SER OG : rot -29:sc= 0.894 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 48:sc= 1.24 USER MOD Single : A 54 SER OG : rot 62:sc= 0.0859 USER MOD Single : A 55 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.0041) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 100:sc= 0.285 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.435 F(o=-1.1,f=-0.44) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 3:sc= 0.814 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 70:sc= -0.303 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 101 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.5!) USER MOD Single : A 103 ASN : amide:sc= -3.22! C(o=-3.2!,f=-7.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.255 K(o=-0.26,f=-0.99) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 A2G O6 : rot -2:sc= -0.305 USER MOD Single : A 121 A2G O6 : rot 180:sc= -0.205 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 150:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.289 -0.941 -2.089 1.00 72.22 N ATOM 2 CA ASP A 1 2.322 0.064 -1.034 1.00 32.02 C ATOM 3 C ASP A 1 2.796 1.407 -1.579 1.00 3.44 C ATOM 4 O ASP A 1 2.910 1.594 -2.790 1.00 12.12 O ATOM 5 CB ASP A 1 3.237 -0.391 0.104 1.00 32.05 C ATOM 6 CG ASP A 1 3.005 -1.838 0.490 1.00 11.20 C ATOM 7 OD1 ASP A 1 1.840 -2.203 0.749 1.00 35.33 O ATOM 8 OD2 ASP A 1 3.989 -2.606 0.533 1.00 22.32 O ATOM 0 H1 ASP A 1 2.062 -1.869 -1.678 1.00 72.22 H new ATOM 0 H2 ASP A 1 1.563 -0.686 -2.789 1.00 72.22 H new ATOM 0 H3 ASP A 1 3.218 -0.986 -2.554 1.00 72.22 H new ATOM 0 HA ASP A 1 1.310 0.185 -0.649 1.00 32.02 H new ATOM 0 HB2 ASP A 1 4.277 -0.260 -0.195 1.00 32.05 H new ATOM 0 HB3 ASP A 1 3.073 0.245 0.974 1.00 32.05 H new ATOM 13 N VAL A 2 3.072 2.343 -0.674 1.00 64.34 N ATOM 14 CA VAL A 2 3.535 3.670 -1.064 1.00 33.44 C ATOM 15 C VAL A 2 4.739 4.097 -0.233 1.00 1.31 C ATOM 16 O VAL A 2 4.920 3.642 0.897 1.00 12.41 O ATOM 17 CB VAL A 2 2.419 4.720 -0.909 1.00 55.21 C ATOM 18 CG1 VAL A 2 2.862 6.058 -1.484 1.00 30.54 C ATOM 19 CG2 VAL A 2 1.140 4.241 -1.578 1.00 74.25 C ATOM 0 H VAL A 2 2.983 2.206 0.333 1.00 64.34 H new ATOM 0 HA VAL A 2 3.824 3.610 -2.113 1.00 33.44 H new ATOM 0 HB VAL A 2 2.217 4.856 0.153 1.00 55.21 H new ATOM 0 HG11 VAL A 2 2.061 6.788 -1.366 1.00 30.54 H new ATOM 0 HG12 VAL A 2 3.750 6.405 -0.956 1.00 30.54 H new ATOM 0 HG13 VAL A 2 3.093 5.941 -2.543 1.00 30.54 H new ATOM 0 HG21 VAL A 2 0.362 4.995 -1.459 1.00 74.25 H new ATOM 0 HG22 VAL A 2 1.325 4.075 -2.639 1.00 74.25 H new ATOM 0 HG23 VAL A 2 0.815 3.309 -1.116 1.00 74.25 H new ATOM 29 N ILE A 3 5.560 4.976 -0.800 1.00 21.34 N ATOM 30 CA ILE A 3 6.746 5.466 -0.110 1.00 1.11 C ATOM 31 C ILE A 3 6.558 6.908 0.351 1.00 54.03 C ATOM 32 O ILE A 3 5.805 7.671 -0.256 1.00 21.45 O ATOM 33 CB ILE A 3 7.993 5.386 -1.010 1.00 44.00 C ATOM 34 CG1 ILE A 3 8.064 4.022 -1.700 1.00 41.22 C ATOM 35 CG2 ILE A 3 9.252 5.639 -0.194 1.00 25.34 C ATOM 36 CD1 ILE A 3 9.349 3.799 -2.465 1.00 43.24 C ATOM 0 H ILE A 3 5.425 5.362 -1.734 1.00 21.34 H new ATOM 0 HA ILE A 3 6.893 4.825 0.760 1.00 1.11 H new ATOM 0 HB ILE A 3 7.920 6.157 -1.777 1.00 44.00 H new ATOM 0 HG12 ILE A 3 7.956 3.238 -0.950 1.00 41.22 H new ATOM 0 HG13 ILE A 3 7.221 3.926 -2.385 1.00 41.22 H new ATOM 0 HG21 ILE A 3 10.125 5.579 -0.844 1.00 25.34 H new ATOM 0 HG22 ILE A 3 9.201 6.631 0.255 1.00 25.34 H new ATOM 0 HG23 ILE A 3 9.333 4.888 0.592 1.00 25.34 H new ATOM 0 HD11 ILE A 3 9.330 2.812 -2.928 1.00 43.24 H new ATOM 0 HD12 ILE A 3 9.449 4.561 -3.238 1.00 43.24 H new ATOM 0 HD13 ILE A 3 10.195 3.863 -1.781 1.00 43.24 H new ATOM 48 N ILE A 4 7.248 7.274 1.426 1.00 13.40 N ATOM 49 CA ILE A 4 7.159 8.625 1.966 1.00 32.23 C ATOM 50 C ILE A 4 8.436 9.412 1.695 1.00 71.22 C ATOM 51 O ILE A 4 9.479 9.149 2.293 1.00 24.34 O ATOM 52 CB ILE A 4 6.891 8.608 3.483 1.00 42.30 C ATOM 53 CG1 ILE A 4 5.487 8.074 3.770 1.00 0.22 C ATOM 54 CG2 ILE A 4 7.063 10.004 4.066 1.00 72.22 C ATOM 55 CD1 ILE A 4 5.246 7.762 5.230 1.00 0.00 C ATOM 0 H ILE A 4 7.874 6.654 1.940 1.00 13.40 H new ATOM 0 HA ILE A 4 6.323 9.111 1.463 1.00 32.23 H new ATOM 0 HB ILE A 4 7.614 7.945 3.958 1.00 42.30 H new ATOM 0 HG12 ILE A 4 4.753 8.808 3.438 1.00 0.22 H new ATOM 0 HG13 ILE A 4 5.323 7.171 3.182 1.00 0.22 H new ATOM 0 HG21 ILE A 4 6.870 9.977 5.139 1.00 72.22 H new ATOM 0 HG22 ILE A 4 8.082 10.349 3.889 1.00 72.22 H new ATOM 0 HG23 ILE A 4 6.360 10.687 3.589 1.00 72.22 H new ATOM 0 HD11 ILE A 4 4.230 7.388 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.956 7.005 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.377 8.668 5.822 1.00 0.00 H new ATOM 67 N LYS A 5 8.348 10.380 0.789 1.00 74.03 N ATOM 68 CA LYS A 5 9.496 11.208 0.438 1.00 12.25 C ATOM 69 C LYS A 5 9.125 12.687 0.460 1.00 3.03 C ATOM 70 O LYS A 5 7.955 13.060 0.385 1.00 15.35 O ATOM 71 CB LYS A 5 10.024 10.824 -0.945 1.00 60.31 C ATOM 72 CG LYS A 5 8.991 10.140 -1.823 1.00 74.13 C ATOM 73 CD LYS A 5 9.010 8.632 -1.636 1.00 54.53 C ATOM 74 CE LYS A 5 10.313 8.025 -2.133 1.00 4.32 C ATOM 75 NZ LYS A 5 10.105 7.176 -3.338 1.00 65.22 N ATOM 0 H LYS A 5 7.492 10.611 0.284 1.00 74.03 H new ATOM 0 HA LYS A 5 10.277 11.036 1.178 1.00 12.25 H new ATOM 0 HB2 LYS A 5 10.381 11.722 -1.450 1.00 60.31 H new ATOM 0 HB3 LYS A 5 10.882 10.163 -0.826 1.00 60.31 H new ATOM 0 HG2 LYS A 5 7.999 10.524 -1.586 1.00 74.13 H new ATOM 0 HG3 LYS A 5 9.184 10.380 -2.868 1.00 74.13 H new ATOM 0 HD2 LYS A 5 8.875 8.393 -0.581 1.00 54.53 H new ATOM 0 HD3 LYS A 5 8.172 8.187 -2.173 1.00 54.53 H new ATOM 0 HE2 LYS A 5 11.019 8.822 -2.368 1.00 4.32 H new ATOM 0 HE3 LYS A 5 10.761 7.426 -1.340 1.00 4.32 H new ATOM 0 HZ1 LYS A 5 10.686 6.317 -3.262 1.00 65.22 H new ATOM 0 HZ2 LYS A 5 9.102 6.910 -3.407 1.00 65.22 H new ATOM 0 HZ3 LYS A 5 10.382 7.707 -4.189 1.00 65.22 H new ATOM 89 N PRO A 6 10.146 13.553 0.564 1.00 74.42 N ATOM 90 CA PRO A 6 9.952 15.005 0.597 1.00 74.44 C ATOM 91 C PRO A 6 9.492 15.558 -0.748 1.00 61.30 C ATOM 92 O PRO A 6 9.462 14.839 -1.747 1.00 13.13 O ATOM 93 CB PRO A 6 11.342 15.541 0.946 1.00 25.45 C ATOM 94 CG PRO A 6 12.284 14.487 0.475 1.00 63.12 C ATOM 95 CD PRO A 6 11.566 13.178 0.658 1.00 3.41 C ATOM 0 HA PRO A 6 9.177 15.297 1.306 1.00 74.44 H new ATOM 0 HB2 PRO A 6 11.535 16.493 0.452 1.00 25.45 H new ATOM 0 HB3 PRO A 6 11.443 15.712 2.018 1.00 25.45 H new ATOM 0 HG2 PRO A 6 12.552 14.642 -0.570 1.00 63.12 H new ATOM 0 HG3 PRO A 6 13.211 14.507 1.048 1.00 63.12 H new ATOM 0 HD2 PRO A 6 11.843 12.457 -0.111 1.00 3.41 H new ATOM 0 HD3 PRO A 6 11.799 12.723 1.621 1.00 3.41 H new ATOM 103 N GLN A 7 9.135 16.838 -0.765 1.00 1.42 N ATOM 104 CA GLN A 7 8.677 17.486 -1.988 1.00 14.03 C ATOM 105 C GLN A 7 9.810 18.262 -2.652 1.00 14.12 C ATOM 106 O GLN A 7 9.650 18.800 -3.748 1.00 32.23 O ATOM 107 CB GLN A 7 7.508 18.427 -1.684 1.00 45.25 C ATOM 108 CG GLN A 7 7.856 19.530 -0.698 1.00 32.41 C ATOM 109 CD GLN A 7 7.117 20.822 -0.982 1.00 53.24 C ATOM 110 OE1 GLN A 7 7.437 21.451 -2.107 1.00 62.00 O flip ATOM 111 NE2 GLN A 7 6.268 21.251 -0.200 1.00 55.14 N flip ATOM 0 H GLN A 7 9.154 17.446 0.054 1.00 1.42 H new ATOM 0 HA GLN A 7 8.342 16.710 -2.676 1.00 14.03 H new ATOM 0 HB2 GLN A 7 7.164 18.878 -2.615 1.00 45.25 H new ATOM 0 HB3 GLN A 7 6.677 17.844 -1.286 1.00 45.25 H new ATOM 0 HG2 GLN A 7 7.621 19.196 0.313 1.00 32.41 H new ATOM 0 HG3 GLN A 7 8.930 19.715 -0.730 1.00 32.41 H new ATOM 0 HE21 GLN A 7 6.053 20.735 0.653 1.00 55.14 H new ATOM 0 HE22 GLN A 7 5.779 22.122 -0.406 1.00 55.14 H new ATOM 120 N VAL A 8 10.955 18.316 -1.980 1.00 65.23 N ATOM 121 CA VAL A 8 12.116 19.025 -2.505 1.00 23.20 C ATOM 122 C VAL A 8 13.414 18.394 -2.012 1.00 42.43 C ATOM 123 O VAL A 8 13.397 17.418 -1.263 1.00 34.42 O ATOM 124 CB VAL A 8 12.096 20.512 -2.102 1.00 22.21 C ATOM 125 CG1 VAL A 8 10.832 21.186 -2.614 1.00 11.13 C ATOM 126 CG2 VAL A 8 12.212 20.656 -0.591 1.00 44.05 C ATOM 0 H VAL A 8 11.104 17.878 -1.071 1.00 65.23 H new ATOM 0 HA VAL A 8 12.068 18.950 -3.591 1.00 23.20 H new ATOM 0 HB VAL A 8 12.954 21.006 -2.558 1.00 22.21 H new ATOM 0 HG11 VAL A 8 10.835 22.236 -2.320 1.00 11.13 H new ATOM 0 HG12 VAL A 8 10.796 21.114 -3.701 1.00 11.13 H new ATOM 0 HG13 VAL A 8 9.958 20.692 -2.188 1.00 11.13 H new ATOM 0 HG21 VAL A 8 12.196 21.713 -0.324 1.00 44.05 H new ATOM 0 HG22 VAL A 8 11.375 20.148 -0.112 1.00 44.05 H new ATOM 0 HG23 VAL A 8 13.148 20.210 -0.254 1.00 44.05 H new ATOM 136 N SER A 9 14.539 18.960 -2.438 1.00 30.41 N ATOM 137 CA SER A 9 15.847 18.451 -2.043 1.00 23.40 C ATOM 138 C SER A 9 16.432 19.281 -0.904 1.00 31.21 C ATOM 139 O SER A 9 16.328 20.507 -0.898 1.00 63.03 O ATOM 140 CB SER A 9 16.803 18.459 -3.237 1.00 71.21 C ATOM 141 OG SER A 9 17.286 19.767 -3.495 1.00 62.33 O ATOM 0 H SER A 9 14.571 19.771 -3.056 1.00 30.41 H new ATOM 0 HA SER A 9 15.720 17.426 -1.695 1.00 23.40 H new ATOM 0 HB2 SER A 9 17.641 17.791 -3.040 1.00 71.21 H new ATOM 0 HB3 SER A 9 16.291 18.076 -4.120 1.00 71.21 H new ATOM 0 HG SER A 9 17.896 19.745 -4.261 1.00 62.33 H new ATOM 147 N GLY A 10 17.047 18.603 0.060 1.00 70.53 N ATOM 148 CA GLY A 10 17.639 19.291 1.191 1.00 11.22 C ATOM 149 C GLY A 10 18.339 18.344 2.145 1.00 2.14 C ATOM 150 O GLY A 10 18.974 17.380 1.720 1.00 20.44 O ATOM 0 H GLY A 10 17.146 17.588 0.077 1.00 70.53 H new ATOM 0 HA2 GLY A 10 18.353 20.031 0.829 1.00 11.22 H new ATOM 0 HA3 GLY A 10 16.862 19.835 1.729 1.00 11.22 H new ATOM 154 N VAL A 11 18.225 18.621 3.441 1.00 61.10 N ATOM 155 CA VAL A 11 18.853 17.787 4.459 1.00 12.32 C ATOM 156 C VAL A 11 17.898 17.521 5.617 1.00 40.12 C ATOM 157 O VAL A 11 17.195 18.422 6.075 1.00 40.32 O ATOM 158 CB VAL A 11 20.136 18.439 5.006 1.00 11.01 C ATOM 159 CG1 VAL A 11 20.878 17.476 5.920 1.00 22.41 C ATOM 160 CG2 VAL A 11 21.029 18.898 3.864 1.00 43.12 C ATOM 0 H VAL A 11 17.704 19.416 3.810 1.00 61.10 H new ATOM 0 HA VAL A 11 19.110 16.843 3.980 1.00 12.32 H new ATOM 0 HB VAL A 11 19.856 19.314 5.592 1.00 11.01 H new ATOM 0 HG11 VAL A 11 21.782 17.955 6.296 1.00 22.41 H new ATOM 0 HG12 VAL A 11 20.237 17.202 6.758 1.00 22.41 H new ATOM 0 HG13 VAL A 11 21.148 16.580 5.362 1.00 22.41 H new ATOM 0 HG21 VAL A 11 21.931 19.356 4.269 1.00 43.12 H new ATOM 0 HG22 VAL A 11 21.302 18.041 3.249 1.00 43.12 H new ATOM 0 HG23 VAL A 11 20.494 19.626 3.254 1.00 43.12 H new ATOM 170 N ILE A 12 17.878 16.278 6.086 1.00 34.45 N ATOM 171 CA ILE A 12 17.010 15.893 7.192 1.00 70.02 C ATOM 172 C ILE A 12 17.197 16.821 8.387 1.00 4.41 C ATOM 173 O ILE A 12 18.308 17.274 8.667 1.00 13.13 O ATOM 174 CB ILE A 12 17.274 14.443 7.637 1.00 45.10 C ATOM 175 CG1 ILE A 12 17.100 13.484 6.457 1.00 22.21 C ATOM 176 CG2 ILE A 12 16.344 14.061 8.779 1.00 40.33 C ATOM 177 CD1 ILE A 12 15.681 13.420 5.936 1.00 63.42 C ATOM 0 H ILE A 12 18.453 15.520 5.717 1.00 34.45 H new ATOM 0 HA ILE A 12 15.985 15.973 6.830 1.00 70.02 H new ATOM 0 HB ILE A 12 18.302 14.369 7.992 1.00 45.10 H new ATOM 0 HG12 ILE A 12 17.762 13.792 5.648 1.00 22.21 H new ATOM 0 HG13 ILE A 12 17.412 12.485 6.762 1.00 22.21 H new ATOM 0 HG21 ILE A 12 16.543 13.033 9.082 1.00 40.33 H new ATOM 0 HG22 ILE A 12 16.513 14.728 9.624 1.00 40.33 H new ATOM 0 HG23 ILE A 12 15.309 14.148 8.450 1.00 40.33 H new ATOM 0 HD11 ILE A 12 15.631 12.722 5.101 1.00 63.42 H new ATOM 0 HD12 ILE A 12 15.016 13.083 6.731 1.00 63.42 H new ATOM 0 HD13 ILE A 12 15.372 14.410 5.600 1.00 63.42 H new ATOM 189 N VAL A 13 16.104 17.101 9.090 1.00 0.11 N ATOM 190 CA VAL A 13 16.149 17.974 10.257 1.00 14.05 C ATOM 191 C VAL A 13 15.689 17.239 11.510 1.00 22.42 C ATOM 192 O VAL A 13 16.291 17.371 12.576 1.00 73.52 O ATOM 193 CB VAL A 13 15.270 19.223 10.058 1.00 74.34 C ATOM 194 CG1 VAL A 13 15.708 20.340 10.993 1.00 70.53 C ATOM 195 CG2 VAL A 13 15.317 19.681 8.608 1.00 51.15 C ATOM 0 H VAL A 13 15.177 16.736 8.872 1.00 0.11 H new ATOM 0 HA VAL A 13 17.187 18.284 10.380 1.00 14.05 H new ATOM 0 HB VAL A 13 14.240 18.963 10.300 1.00 74.34 H new ATOM 0 HG11 VAL A 13 15.075 21.214 10.837 1.00 70.53 H new ATOM 0 HG12 VAL A 13 15.618 20.006 12.027 1.00 70.53 H new ATOM 0 HG13 VAL A 13 16.746 20.602 10.786 1.00 70.53 H new ATOM 0 HG21 VAL A 13 14.690 20.564 8.485 1.00 51.15 H new ATOM 0 HG22 VAL A 13 16.344 19.924 8.336 1.00 51.15 H new ATOM 0 HG23 VAL A 13 14.950 18.883 7.962 1.00 51.15 H new ATOM 205 N ASN A 14 14.619 16.462 11.376 1.00 70.13 N ATOM 206 CA ASN A 14 14.079 15.704 12.499 1.00 62.25 C ATOM 207 C ASN A 14 13.133 14.611 12.012 1.00 20.34 C ATOM 208 O ASN A 14 12.844 14.509 10.819 1.00 34.35 O ATOM 209 CB ASN A 14 13.345 16.636 13.465 1.00 42.31 C ATOM 210 CG ASN A 14 13.313 16.093 14.880 1.00 14.12 C ATOM 211 OD1 ASN A 14 12.160 16.205 15.530 1.00 40.42 O flip ATOM 212 ND2 ASN A 14 14.311 15.578 15.383 1.00 71.53 N flip ATOM 0 H ASN A 14 14.109 16.341 10.501 1.00 70.13 H new ATOM 0 HA ASN A 14 14.912 15.233 13.021 1.00 62.25 H new ATOM 0 HB2 ASN A 14 13.831 17.612 13.464 1.00 42.31 H new ATOM 0 HB3 ASN A 14 12.324 16.788 13.114 1.00 42.31 H new ATOM 0 HD21 ASN A 14 15.176 15.513 14.847 1.00 71.53 H new ATOM 0 HD22 ASN A 14 14.273 15.216 16.336 1.00 71.53 H new ATOM 219 N LYS A 15 12.652 13.794 12.944 1.00 70.03 N ATOM 220 CA LYS A 15 11.737 12.708 12.611 1.00 13.05 C ATOM 221 C LYS A 15 10.614 12.611 13.639 1.00 32.42 C ATOM 222 O LYS A 15 10.854 12.320 14.811 1.00 21.12 O ATOM 223 CB LYS A 15 12.492 11.380 12.538 1.00 2.01 C ATOM 224 CG LYS A 15 13.838 11.483 11.843 1.00 44.40 C ATOM 225 CD LYS A 15 14.475 10.118 11.654 1.00 24.43 C ATOM 226 CE LYS A 15 14.701 9.419 12.987 1.00 65.51 C ATOM 227 NZ LYS A 15 16.130 9.052 13.186 1.00 71.15 N ATOM 0 H LYS A 15 12.881 13.864 13.936 1.00 70.03 H new ATOM 0 HA LYS A 15 11.298 12.922 11.636 1.00 13.05 H new ATOM 0 HB2 LYS A 15 12.643 11.001 13.549 1.00 2.01 H new ATOM 0 HB3 LYS A 15 11.876 10.650 12.013 1.00 2.01 H new ATOM 0 HG2 LYS A 15 13.711 11.964 10.873 1.00 44.40 H new ATOM 0 HG3 LYS A 15 14.503 12.118 12.429 1.00 44.40 H new ATOM 0 HD2 LYS A 15 13.836 9.501 11.022 1.00 24.43 H new ATOM 0 HD3 LYS A 15 15.426 10.228 11.134 1.00 24.43 H new ATOM 0 HE2 LYS A 15 14.377 10.071 13.798 1.00 65.51 H new ATOM 0 HE3 LYS A 15 14.085 8.521 13.035 1.00 65.51 H new ATOM 0 HZ1 LYS A 15 16.242 8.578 14.105 1.00 71.15 H new ATOM 0 HZ2 LYS A 15 16.432 8.410 12.426 1.00 71.15 H new ATOM 0 HZ3 LYS A 15 16.715 9.912 13.166 1.00 71.15 H new ATOM 241 N LEU A 16 9.386 12.854 13.192 1.00 11.45 N ATOM 242 CA LEU A 16 8.225 12.792 14.074 1.00 33.01 C ATOM 243 C LEU A 16 7.439 11.505 13.848 1.00 63.52 C ATOM 244 O LEU A 16 6.222 11.532 13.664 1.00 11.20 O ATOM 245 CB LEU A 16 7.319 14.003 13.842 1.00 5.53 C ATOM 246 CG LEU A 16 8.028 15.346 13.661 1.00 74.22 C ATOM 247 CD1 LEU A 16 7.040 16.494 13.801 1.00 33.14 C ATOM 248 CD2 LEU A 16 9.162 15.490 14.665 1.00 0.41 C ATOM 0 H LEU A 16 9.169 13.096 12.225 1.00 11.45 H new ATOM 0 HA LEU A 16 8.581 12.803 15.104 1.00 33.01 H new ATOM 0 HB2 LEU A 16 6.712 13.813 12.957 1.00 5.53 H new ATOM 0 HB3 LEU A 16 6.635 14.087 14.686 1.00 5.53 H new ATOM 0 HG LEU A 16 8.452 15.379 12.657 1.00 74.22 H new ATOM 0 HD11 LEU A 16 7.562 17.442 13.669 1.00 33.14 H new ATOM 0 HD12 LEU A 16 6.263 16.400 13.043 1.00 33.14 H new ATOM 0 HD13 LEU A 16 6.586 16.465 14.792 1.00 33.14 H new ATOM 0 HD21 LEU A 16 9.655 16.451 14.521 1.00 0.41 H new ATOM 0 HD22 LEU A 16 8.761 15.435 15.677 1.00 0.41 H new ATOM 0 HD23 LEU A 16 9.883 14.686 14.517 1.00 0.41 H new ATOM 260 N PHE A 17 8.142 10.377 13.867 1.00 22.01 N ATOM 261 CA PHE A 17 7.510 9.079 13.666 1.00 61.13 C ATOM 262 C PHE A 17 8.281 7.980 14.392 1.00 11.14 C ATOM 263 O PHE A 17 9.445 8.157 14.753 1.00 2.11 O ATOM 264 CB PHE A 17 7.424 8.755 12.173 1.00 3.13 C ATOM 265 CG PHE A 17 8.765 8.569 11.522 1.00 63.22 C ATOM 266 CD1 PHE A 17 9.498 7.412 11.734 1.00 21.13 C ATOM 267 CD2 PHE A 17 9.293 9.549 10.698 1.00 23.35 C ATOM 268 CE1 PHE A 17 10.732 7.238 11.137 1.00 43.32 C ATOM 269 CE2 PHE A 17 10.526 9.381 10.098 1.00 23.01 C ATOM 270 CZ PHE A 17 11.246 8.223 10.318 1.00 42.54 C ATOM 0 H PHE A 17 9.150 10.336 14.020 1.00 22.01 H new ATOM 0 HA PHE A 17 6.503 9.126 14.079 1.00 61.13 H new ATOM 0 HB2 PHE A 17 6.835 7.847 12.040 1.00 3.13 H new ATOM 0 HB3 PHE A 17 6.891 9.559 11.665 1.00 3.13 H new ATOM 0 HD1 PHE A 17 9.100 6.638 12.373 1.00 21.13 H new ATOM 0 HD2 PHE A 17 8.734 10.456 10.522 1.00 23.35 H new ATOM 0 HE1 PHE A 17 11.294 6.332 11.311 1.00 43.32 H new ATOM 0 HE2 PHE A 17 10.926 10.154 9.458 1.00 23.01 H new ATOM 0 HZ PHE A 17 12.210 8.088 9.850 1.00 42.54 H new ATOM 280 N LYS A 18 7.623 6.845 14.604 1.00 1.33 N ATOM 281 CA LYS A 18 8.245 5.717 15.288 1.00 53.03 C ATOM 282 C LYS A 18 8.472 4.556 14.324 1.00 40.51 C ATOM 283 O LYS A 18 8.088 4.623 13.156 1.00 64.42 O ATOM 284 CB LYS A 18 7.371 5.258 16.458 1.00 74.13 C ATOM 285 CG LYS A 18 7.791 5.841 17.796 1.00 52.24 C ATOM 286 CD LYS A 18 8.590 4.841 18.614 1.00 74.11 C ATOM 287 CE LYS A 18 9.478 5.537 19.633 1.00 42.12 C ATOM 288 NZ LYS A 18 9.015 5.299 21.028 1.00 14.42 N ATOM 0 H LYS A 18 6.659 6.682 14.312 1.00 1.33 H new ATOM 0 HA LYS A 18 9.212 6.044 15.671 1.00 53.03 H new ATOM 0 HB2 LYS A 18 6.336 5.536 16.259 1.00 74.13 H new ATOM 0 HB3 LYS A 18 7.402 4.170 16.519 1.00 74.13 H new ATOM 0 HG2 LYS A 18 8.388 6.738 17.632 1.00 52.24 H new ATOM 0 HG3 LYS A 18 6.906 6.145 18.355 1.00 52.24 H new ATOM 0 HD2 LYS A 18 7.909 4.162 19.127 1.00 74.11 H new ATOM 0 HD3 LYS A 18 9.204 4.234 17.949 1.00 74.11 H new ATOM 0 HE2 LYS A 18 10.503 5.181 19.525 1.00 42.12 H new ATOM 0 HE3 LYS A 18 9.490 6.608 19.432 1.00 42.12 H new ATOM 0 HZ1 LYS A 18 9.647 5.790 21.692 1.00 14.42 H new ATOM 0 HZ2 LYS A 18 8.047 5.662 21.139 1.00 14.42 H new ATOM 0 HZ3 LYS A 18 9.028 4.279 21.229 1.00 14.42 H new ATOM 302 N ALA A 19 9.096 3.494 14.821 1.00 64.55 N ATOM 303 CA ALA A 19 9.372 2.318 14.005 1.00 74.51 C ATOM 304 C ALA A 19 8.200 1.342 14.036 1.00 44.12 C ATOM 305 O ALA A 19 7.955 0.682 15.045 1.00 10.41 O ATOM 306 CB ALA A 19 10.645 1.632 14.479 1.00 33.02 C ATOM 0 H ALA A 19 9.420 3.423 15.785 1.00 64.55 H new ATOM 0 HA ALA A 19 9.512 2.646 12.975 1.00 74.51 H new ATOM 0 HB1 ALA A 19 10.838 0.756 13.860 1.00 33.02 H new ATOM 0 HB2 ALA A 19 11.483 2.325 14.399 1.00 33.02 H new ATOM 0 HB3 ALA A 19 10.527 1.324 15.518 1.00 33.02 H new ATOM 312 N GLY A 20 7.478 1.256 12.923 1.00 73.42 N ATOM 313 CA GLY A 20 6.340 0.359 12.845 1.00 14.21 C ATOM 314 C GLY A 20 5.056 1.007 13.324 1.00 44.13 C ATOM 315 O GLY A 20 4.006 0.367 13.360 1.00 21.25 O ATOM 0 H GLY A 20 7.661 1.791 12.074 1.00 73.42 H new ATOM 0 HA2 GLY A 20 6.213 0.027 11.815 1.00 14.21 H new ATOM 0 HA3 GLY A 20 6.540 -0.530 13.444 1.00 14.21 H new ATOM 319 N ASP A 21 5.141 2.280 13.696 1.00 42.44 N ATOM 320 CA ASP A 21 3.977 3.015 14.176 1.00 24.24 C ATOM 321 C ASP A 21 3.005 3.300 13.036 1.00 53.12 C ATOM 322 O ASP A 21 3.134 2.748 11.943 1.00 4.13 O ATOM 323 CB ASP A 21 4.412 4.327 14.832 1.00 32.23 C ATOM 324 CG ASP A 21 3.863 4.481 16.238 1.00 74.45 C ATOM 325 OD1 ASP A 21 3.783 3.464 16.958 1.00 12.11 O ATOM 326 OD2 ASP A 21 3.512 5.619 16.616 1.00 21.32 O ATOM 0 H ASP A 21 6.004 2.824 13.674 1.00 42.44 H new ATOM 0 HA ASP A 21 3.468 2.398 14.916 1.00 24.24 H new ATOM 0 HB2 ASP A 21 5.501 4.371 14.863 1.00 32.23 H new ATOM 0 HB3 ASP A 21 4.077 5.165 14.220 1.00 32.23 H new ATOM 331 N LYS A 22 2.031 4.165 13.298 1.00 70.11 N ATOM 332 CA LYS A 22 1.036 4.524 12.295 1.00 71.11 C ATOM 333 C LYS A 22 1.092 6.016 11.983 1.00 44.15 C ATOM 334 O LYS A 22 1.551 6.815 12.799 1.00 71.30 O ATOM 335 CB LYS A 22 -0.366 4.146 12.779 1.00 41.22 C ATOM 336 CG LYS A 22 -0.969 5.154 13.743 1.00 41.44 C ATOM 337 CD LYS A 22 -1.897 6.123 13.028 1.00 21.10 C ATOM 338 CE LYS A 22 -1.496 7.568 13.283 1.00 12.44 C ATOM 339 NZ LYS A 22 -1.356 7.857 14.737 1.00 21.32 N ATOM 0 H LYS A 22 1.910 4.631 14.197 1.00 70.11 H new ATOM 0 HA LYS A 22 1.260 3.971 11.383 1.00 71.11 H new ATOM 0 HB2 LYS A 22 -1.024 4.043 11.916 1.00 41.22 H new ATOM 0 HB3 LYS A 22 -0.323 3.171 13.265 1.00 41.22 H new ATOM 0 HG2 LYS A 22 -1.521 4.628 14.522 1.00 41.44 H new ATOM 0 HG3 LYS A 22 -0.171 5.709 14.236 1.00 41.44 H new ATOM 0 HD2 LYS A 22 -1.879 5.923 11.957 1.00 21.10 H new ATOM 0 HD3 LYS A 22 -2.921 5.963 13.365 1.00 21.10 H new ATOM 0 HE2 LYS A 22 -0.553 7.777 12.779 1.00 12.44 H new ATOM 0 HE3 LYS A 22 -2.243 8.234 12.851 1.00 12.44 H new ATOM 0 HZ1 LYS A 22 -1.620 8.846 14.921 1.00 21.32 H new ATOM 0 HZ2 LYS A 22 -1.980 7.225 15.278 1.00 21.32 H new ATOM 0 HZ3 LYS A 22 -0.370 7.702 15.028 1.00 21.32 H new ATOM 353 N VAL A 23 0.623 6.385 10.795 1.00 31.15 N ATOM 354 CA VAL A 23 0.617 7.782 10.376 1.00 43.10 C ATOM 355 C VAL A 23 -0.805 8.320 10.277 1.00 14.53 C ATOM 356 O VAL A 23 -1.774 7.566 10.358 1.00 31.02 O ATOM 357 CB VAL A 23 1.319 7.962 9.016 1.00 61.41 C ATOM 358 CG1 VAL A 23 2.718 7.368 9.054 1.00 61.42 C ATOM 359 CG2 VAL A 23 0.493 7.333 7.904 1.00 63.04 C ATOM 0 H VAL A 23 0.242 5.736 10.106 1.00 31.15 H new ATOM 0 HA VAL A 23 1.162 8.343 11.135 1.00 43.10 H new ATOM 0 HB VAL A 23 1.410 9.029 8.811 1.00 61.41 H new ATOM 0 HG11 VAL A 23 3.198 7.505 8.085 1.00 61.42 H new ATOM 0 HG12 VAL A 23 3.305 7.869 9.824 1.00 61.42 H new ATOM 0 HG13 VAL A 23 2.655 6.304 9.281 1.00 61.42 H new ATOM 0 HG21 VAL A 23 1.003 7.469 6.950 1.00 63.04 H new ATOM 0 HG22 VAL A 23 0.369 6.268 8.101 1.00 63.04 H new ATOM 0 HG23 VAL A 23 -0.486 7.811 7.863 1.00 63.04 H new ATOM 369 N LYS A 24 -0.924 9.632 10.101 1.00 51.10 N ATOM 370 CA LYS A 24 -2.228 10.275 9.988 1.00 24.31 C ATOM 371 C LYS A 24 -2.249 11.264 8.828 1.00 52.04 C ATOM 372 O LYS A 24 -1.229 11.866 8.493 1.00 4.22 O ATOM 373 CB LYS A 24 -2.579 10.994 11.293 1.00 42.52 C ATOM 374 CG LYS A 24 -3.683 12.026 11.140 1.00 4.21 C ATOM 375 CD LYS A 24 -5.024 11.371 10.857 1.00 51.01 C ATOM 376 CE LYS A 24 -5.900 12.251 9.979 1.00 45.00 C ATOM 377 NZ LYS A 24 -6.792 13.127 10.787 1.00 14.21 N ATOM 0 H LYS A 24 -0.132 10.271 10.033 1.00 51.10 H new ATOM 0 HA LYS A 24 -2.971 9.502 9.795 1.00 24.31 H new ATOM 0 HB2 LYS A 24 -2.884 10.255 12.035 1.00 42.52 H new ATOM 0 HB3 LYS A 24 -1.686 11.484 11.680 1.00 42.52 H new ATOM 0 HG2 LYS A 24 -3.753 12.622 12.050 1.00 4.21 H new ATOM 0 HG3 LYS A 24 -3.433 12.710 10.329 1.00 4.21 H new ATOM 0 HD2 LYS A 24 -4.865 10.410 10.367 1.00 51.01 H new ATOM 0 HD3 LYS A 24 -5.537 11.168 11.797 1.00 51.01 H new ATOM 0 HE2 LYS A 24 -5.269 12.867 9.338 1.00 45.00 H new ATOM 0 HE3 LYS A 24 -6.504 11.624 9.323 1.00 45.00 H new ATOM 0 HZ1 LYS A 24 -7.373 13.711 10.152 1.00 14.21 H new ATOM 0 HZ2 LYS A 24 -7.412 12.539 11.380 1.00 14.21 H new ATOM 0 HZ3 LYS A 24 -6.215 13.744 11.394 1.00 14.21 H new ATOM 391 N LYS A 25 -3.418 11.428 8.218 1.00 12.33 N ATOM 392 CA LYS A 25 -3.574 12.348 7.096 1.00 20.45 C ATOM 393 C LYS A 25 -3.129 13.755 7.480 1.00 5.32 C ATOM 394 O LYS A 25 -3.884 14.511 8.091 1.00 70.34 O ATOM 395 CB LYS A 25 -5.031 12.371 6.629 1.00 0.14 C ATOM 396 CG LYS A 25 -5.595 10.995 6.324 1.00 32.11 C ATOM 397 CD LYS A 25 -7.112 11.016 6.259 1.00 73.50 C ATOM 398 CE LYS A 25 -7.609 11.010 4.821 1.00 34.11 C ATOM 399 NZ LYS A 25 -9.032 10.584 4.728 1.00 75.40 N ATOM 0 H LYS A 25 -4.272 10.936 8.481 1.00 12.33 H new ATOM 0 HA LYS A 25 -2.943 11.997 6.280 1.00 20.45 H new ATOM 0 HB2 LYS A 25 -5.643 12.842 7.398 1.00 0.14 H new ATOM 0 HB3 LYS A 25 -5.108 12.992 5.736 1.00 0.14 H new ATOM 0 HG2 LYS A 25 -5.194 10.639 5.375 1.00 32.11 H new ATOM 0 HG3 LYS A 25 -5.273 10.291 7.091 1.00 32.11 H new ATOM 0 HD2 LYS A 25 -7.512 10.150 6.787 1.00 73.50 H new ATOM 0 HD3 LYS A 25 -7.487 11.902 6.771 1.00 73.50 H new ATOM 0 HE2 LYS A 25 -7.500 12.007 4.395 1.00 34.11 H new ATOM 0 HE3 LYS A 25 -6.990 10.339 4.225 1.00 34.11 H new ATOM 0 HZ1 LYS A 25 -9.333 10.593 3.732 1.00 75.40 H new ATOM 0 HZ2 LYS A 25 -9.132 9.622 5.111 1.00 75.40 H new ATOM 0 HZ3 LYS A 25 -9.627 11.238 5.275 1.00 75.40 H new ATOM 413 N GLY A 26 -1.897 14.101 7.117 1.00 55.34 N ATOM 414 CA GLY A 26 -1.374 15.418 7.430 1.00 50.04 C ATOM 415 C GLY A 26 -0.323 15.379 8.521 1.00 50.35 C ATOM 416 O GLY A 26 0.491 16.295 8.640 1.00 55.45 O ATOM 0 H GLY A 26 -1.252 13.493 6.612 1.00 55.34 H new ATOM 0 HA2 GLY A 26 -0.944 15.858 6.530 1.00 50.04 H new ATOM 0 HA3 GLY A 26 -2.193 16.066 7.741 1.00 50.04 H new ATOM 420 N GLN A 27 -0.340 14.317 9.320 1.00 41.10 N ATOM 421 CA GLN A 27 0.618 14.165 10.407 1.00 3.34 C ATOM 422 C GLN A 27 2.049 14.302 9.896 1.00 34.12 C ATOM 423 O GLN A 27 2.351 13.940 8.758 1.00 34.12 O ATOM 424 CB GLN A 27 0.436 12.808 11.090 1.00 13.23 C ATOM 425 CG GLN A 27 1.667 12.339 11.849 1.00 74.52 C ATOM 426 CD GLN A 27 1.318 11.561 13.104 1.00 54.43 C ATOM 427 OE1 GLN A 27 0.832 10.339 12.926 1.00 55.03 O flip ATOM 428 NE2 GLN A 27 1.484 12.055 14.219 1.00 32.42 N flip ATOM 0 H GLN A 27 -1.007 13.550 9.235 1.00 41.10 H new ATOM 0 HA GLN A 27 0.433 14.957 11.133 1.00 3.34 H new ATOM 0 HB2 GLN A 27 -0.405 12.868 11.780 1.00 13.23 H new ATOM 0 HB3 GLN A 27 0.178 12.063 10.337 1.00 13.23 H new ATOM 0 HG2 GLN A 27 2.275 11.714 11.196 1.00 74.52 H new ATOM 0 HG3 GLN A 27 2.274 13.203 12.119 1.00 74.52 H new ATOM 0 HE21 GLN A 27 1.861 12.999 14.308 1.00 32.42 H new ATOM 0 HE22 GLN A 27 1.245 11.521 15.054 1.00 32.42 H new ATOM 437 N THR A 28 2.927 14.827 10.745 1.00 44.25 N ATOM 438 CA THR A 28 4.326 15.013 10.378 1.00 64.02 C ATOM 439 C THR A 28 5.145 13.765 10.685 1.00 23.20 C ATOM 440 O THR A 28 4.859 13.041 11.640 1.00 74.21 O ATOM 441 CB THR A 28 4.946 16.214 11.116 1.00 33.15 C ATOM 442 OG1 THR A 28 4.006 17.294 11.170 1.00 54.54 O ATOM 443 CG2 THR A 28 6.219 16.677 10.425 1.00 23.33 C ATOM 0 H THR A 28 2.695 15.131 11.691 1.00 44.25 H new ATOM 0 HA THR A 28 4.348 15.205 9.305 1.00 64.02 H new ATOM 0 HB THR A 28 5.196 15.899 12.129 1.00 33.15 H new ATOM 0 HG1 THR A 28 4.407 18.053 11.642 1.00 54.54 H new ATOM 0 HG21 THR A 28 6.638 17.526 10.965 1.00 23.33 H new ATOM 0 HG22 THR A 28 6.943 15.862 10.412 1.00 23.33 H new ATOM 0 HG23 THR A 28 5.990 16.975 9.402 1.00 23.33 H new ATOM 451 N LEU A 29 6.167 13.519 9.873 1.00 60.15 N ATOM 452 CA LEU A 29 7.030 12.357 10.059 1.00 73.43 C ATOM 453 C LEU A 29 8.494 12.725 9.837 1.00 13.20 C ATOM 454 O LEU A 29 9.345 12.465 10.687 1.00 63.53 O ATOM 455 CB LEU A 29 6.623 11.236 9.100 1.00 63.14 C ATOM 456 CG LEU A 29 5.161 10.792 9.169 1.00 64.32 C ATOM 457 CD1 LEU A 29 4.254 11.844 8.553 1.00 35.23 C ATOM 458 CD2 LEU A 29 4.978 9.451 8.471 1.00 4.55 C ATOM 0 H LEU A 29 6.419 14.108 9.079 1.00 60.15 H new ATOM 0 HA LEU A 29 6.913 12.009 11.085 1.00 73.43 H new ATOM 0 HB2 LEU A 29 6.836 11.561 8.082 1.00 63.14 H new ATOM 0 HB3 LEU A 29 7.255 10.370 9.296 1.00 63.14 H new ATOM 0 HG LEU A 29 4.886 10.674 10.217 1.00 64.32 H new ATOM 0 HD11 LEU A 29 3.218 11.510 8.611 1.00 35.23 H new ATOM 0 HD12 LEU A 29 4.364 12.783 9.096 1.00 35.23 H new ATOM 0 HD13 LEU A 29 4.528 11.995 7.509 1.00 35.23 H new ATOM 0 HD21 LEU A 29 3.932 9.150 8.530 1.00 4.55 H new ATOM 0 HD22 LEU A 29 5.271 9.542 7.425 1.00 4.55 H new ATOM 0 HD23 LEU A 29 5.600 8.700 8.958 1.00 4.55 H new ATOM 470 N PHE A 30 8.778 13.335 8.691 1.00 72.42 N ATOM 471 CA PHE A 30 10.139 13.740 8.358 1.00 74.33 C ATOM 472 C PHE A 30 10.218 15.247 8.138 1.00 53.33 C ATOM 473 O PHE A 30 9.195 15.924 8.031 1.00 51.02 O ATOM 474 CB PHE A 30 10.620 13.004 7.106 1.00 63.55 C ATOM 475 CG PHE A 30 11.486 11.813 7.406 1.00 12.54 C ATOM 476 CD1 PHE A 30 12.636 11.951 8.167 1.00 63.41 C ATOM 477 CD2 PHE A 30 11.150 10.557 6.927 1.00 44.22 C ATOM 478 CE1 PHE A 30 13.434 10.857 8.445 1.00 24.11 C ATOM 479 CE2 PHE A 30 11.944 9.461 7.203 1.00 71.03 C ATOM 480 CZ PHE A 30 13.088 9.611 7.962 1.00 62.44 C ATOM 0 H PHE A 30 8.084 13.560 7.978 1.00 72.42 H new ATOM 0 HA PHE A 30 10.786 13.478 9.196 1.00 74.33 H new ATOM 0 HB2 PHE A 30 9.754 12.678 6.531 1.00 63.55 H new ATOM 0 HB3 PHE A 30 11.177 13.699 6.477 1.00 63.55 H new ATOM 0 HD1 PHE A 30 12.912 12.924 8.547 1.00 63.41 H new ATOM 0 HD2 PHE A 30 10.258 10.434 6.331 1.00 44.22 H new ATOM 0 HE1 PHE A 30 14.328 10.977 9.040 1.00 24.11 H new ATOM 0 HE2 PHE A 30 11.670 8.487 6.825 1.00 71.03 H new ATOM 0 HZ PHE A 30 13.711 8.755 8.177 1.00 62.44 H new ATOM 490 N ILE A 31 11.440 15.766 8.072 1.00 73.14 N ATOM 491 CA ILE A 31 11.654 17.193 7.864 1.00 52.13 C ATOM 492 C ILE A 31 12.966 17.450 7.131 1.00 15.31 C ATOM 493 O ILE A 31 14.015 16.930 7.512 1.00 11.34 O ATOM 494 CB ILE A 31 11.665 17.960 9.199 1.00 34.01 C ATOM 495 CG1 ILE A 31 10.441 17.586 10.038 1.00 13.11 C ATOM 496 CG2 ILE A 31 11.703 19.460 8.947 1.00 3.55 C ATOM 497 CD1 ILE A 31 10.318 18.385 11.316 1.00 24.11 C ATOM 0 H ILE A 31 12.297 15.219 8.160 1.00 73.14 H new ATOM 0 HA ILE A 31 10.824 17.552 7.255 1.00 52.13 H new ATOM 0 HB ILE A 31 12.561 17.681 9.754 1.00 34.01 H new ATOM 0 HG12 ILE A 31 9.542 17.732 9.440 1.00 13.11 H new ATOM 0 HG13 ILE A 31 10.490 16.526 10.285 1.00 13.11 H new ATOM 0 HG21 ILE A 31 11.710 19.989 9.900 1.00 3.55 H new ATOM 0 HG22 ILE A 31 12.602 19.712 8.385 1.00 3.55 H new ATOM 0 HG23 ILE A 31 10.823 19.755 8.375 1.00 3.55 H new ATOM 0 HD11 ILE A 31 9.428 18.067 11.860 1.00 24.11 H new ATOM 0 HD12 ILE A 31 11.200 18.220 11.935 1.00 24.11 H new ATOM 0 HD13 ILE A 31 10.237 19.445 11.076 1.00 24.11 H new ATOM 509 N ILE A 32 12.899 18.258 6.078 1.00 53.42 N ATOM 510 CA ILE A 32 14.083 18.588 5.293 1.00 31.34 C ATOM 511 C ILE A 32 14.134 20.079 4.976 1.00 73.35 C ATOM 512 O ILE A 32 13.142 20.666 4.547 1.00 33.43 O ATOM 513 CB ILE A 32 14.124 17.793 3.975 1.00 74.55 C ATOM 514 CG1 ILE A 32 14.550 16.347 4.240 1.00 54.43 C ATOM 515 CG2 ILE A 32 15.068 18.457 2.984 1.00 5.05 C ATOM 516 CD1 ILE A 32 13.753 15.329 3.456 1.00 32.12 C ATOM 0 H ILE A 32 12.039 18.696 5.749 1.00 53.42 H new ATOM 0 HA ILE A 32 14.948 18.317 5.898 1.00 31.34 H new ATOM 0 HB ILE A 32 13.124 17.784 3.542 1.00 74.55 H new ATOM 0 HG12 ILE A 32 15.606 16.237 3.994 1.00 54.43 H new ATOM 0 HG13 ILE A 32 14.447 16.136 5.304 1.00 54.43 H new ATOM 0 HG21 ILE A 32 15.086 17.883 2.058 1.00 5.05 H new ATOM 0 HG22 ILE A 32 14.724 19.470 2.776 1.00 5.05 H new ATOM 0 HG23 ILE A 32 16.072 18.494 3.407 1.00 5.05 H new ATOM 0 HD11 ILE A 32 14.109 14.327 3.694 1.00 32.12 H new ATOM 0 HD12 ILE A 32 12.699 15.411 3.719 1.00 32.12 H new ATOM 0 HD13 ILE A 32 13.876 15.514 2.389 1.00 32.12 H new ATOM 528 N GLU A 33 15.298 20.684 5.188 1.00 65.24 N ATOM 529 CA GLU A 33 15.478 22.107 4.923 1.00 23.23 C ATOM 530 C GLU A 33 16.053 22.332 3.528 1.00 72.20 C ATOM 531 O GLU A 33 16.983 21.643 3.111 1.00 40.35 O ATOM 532 CB GLU A 33 16.401 22.730 5.973 1.00 21.41 C ATOM 533 CG GLU A 33 17.078 24.007 5.506 1.00 3.21 C ATOM 534 CD GLU A 33 18.457 23.758 4.926 1.00 55.55 C ATOM 535 OE1 GLU A 33 19.375 23.415 5.699 1.00 33.25 O ATOM 536 OE2 GLU A 33 18.617 23.906 3.696 1.00 51.31 O ATOM 0 H GLU A 33 16.130 20.212 5.542 1.00 65.24 H new ATOM 0 HA GLU A 33 14.501 22.587 4.976 1.00 23.23 H new ATOM 0 HB2 GLU A 33 15.823 22.943 6.872 1.00 21.41 H new ATOM 0 HB3 GLU A 33 17.165 22.004 6.250 1.00 21.41 H new ATOM 0 HG2 GLU A 33 16.454 24.491 4.755 1.00 3.21 H new ATOM 0 HG3 GLU A 33 17.160 24.698 6.345 1.00 3.21 H new ATOM 543 N GLN A 34 15.489 23.300 2.813 1.00 51.35 N ATOM 544 CA GLN A 34 15.945 23.615 1.463 1.00 71.40 C ATOM 545 C GLN A 34 15.995 25.123 1.245 1.00 53.25 C ATOM 546 O GLN A 34 15.870 25.902 2.190 1.00 50.24 O ATOM 547 CB GLN A 34 15.023 22.969 0.428 1.00 73.53 C ATOM 548 CG GLN A 34 13.612 23.534 0.431 1.00 53.11 C ATOM 549 CD GLN A 34 12.845 23.180 1.690 1.00 2.23 C ATOM 550 OE1 GLN A 34 12.210 24.037 2.305 1.00 25.05 O ATOM 551 NE2 GLN A 34 12.898 21.912 2.080 1.00 63.34 N ATOM 0 H GLN A 34 14.717 23.879 3.144 1.00 51.35 H new ATOM 0 HA GLN A 34 16.952 23.215 1.343 1.00 71.40 H new ATOM 0 HB2 GLN A 34 15.456 23.101 -0.564 1.00 73.53 H new ATOM 0 HB3 GLN A 34 14.976 21.896 0.615 1.00 73.53 H new ATOM 0 HG2 GLN A 34 13.659 24.618 0.331 1.00 53.11 H new ATOM 0 HG3 GLN A 34 13.072 23.157 -0.437 1.00 53.11 H new ATOM 0 HE21 GLN A 34 13.437 21.234 1.540 1.00 63.34 H new ATOM 0 HE22 GLN A 34 12.400 21.615 2.919 1.00 63.34 H new ATOM 560 N ASP A 35 16.179 25.529 -0.008 1.00 21.13 N ATOM 561 CA ASP A 35 16.246 26.945 -0.351 1.00 74.32 C ATOM 562 C ASP A 35 15.356 27.255 -1.550 1.00 21.33 C ATOM 563 O ASP A 35 15.773 27.941 -2.483 1.00 21.05 O ATOM 564 CB ASP A 35 17.689 27.350 -0.653 1.00 1.14 C ATOM 565 CG ASP A 35 18.538 27.446 0.600 1.00 52.42 C ATOM 566 OD1 ASP A 35 17.972 27.346 1.709 1.00 42.11 O ATOM 567 OD2 ASP A 35 19.767 27.623 0.472 1.00 2.30 O ATOM 0 H ASP A 35 16.284 24.897 -0.802 1.00 21.13 H new ATOM 0 HA ASP A 35 15.887 27.519 0.503 1.00 74.32 H new ATOM 0 HB2 ASP A 35 18.132 26.623 -1.334 1.00 1.14 H new ATOM 0 HB3 ASP A 35 17.694 28.312 -1.166 1.00 1.14 H new ATOM 572 N GLN A 36 14.129 26.746 -1.518 1.00 31.31 N ATOM 573 CA GLN A 36 13.181 26.968 -2.602 1.00 72.35 C ATOM 574 C GLN A 36 11.798 26.442 -2.233 1.00 14.01 C ATOM 575 O GLN A 36 11.356 25.413 -2.745 1.00 43.15 O ATOM 576 CB GLN A 36 13.672 26.290 -3.883 1.00 53.02 C ATOM 577 CG GLN A 36 14.011 24.820 -3.702 1.00 54.15 C ATOM 578 CD GLN A 36 15.504 24.571 -3.617 1.00 30.43 C ATOM 579 OE1 GLN A 36 16.303 25.330 -4.166 1.00 21.42 O ATOM 580 NE2 GLN A 36 15.887 23.504 -2.926 1.00 45.31 N ATOM 0 H GLN A 36 13.768 26.177 -0.752 1.00 31.31 H new ATOM 0 HA GLN A 36 13.107 28.042 -2.772 1.00 72.35 H new ATOM 0 HB2 GLN A 36 12.905 26.385 -4.651 1.00 53.02 H new ATOM 0 HB3 GLN A 36 14.555 26.816 -4.247 1.00 53.02 H new ATOM 0 HG2 GLN A 36 13.533 24.450 -2.795 1.00 54.15 H new ATOM 0 HG3 GLN A 36 13.599 24.251 -4.535 1.00 54.15 H new ATOM 0 HE21 GLN A 36 15.189 22.903 -2.488 1.00 45.31 H new ATOM 0 HE22 GLN A 36 16.879 23.285 -2.833 1.00 45.31 H new ATOM 589 N ALA A 37 11.117 27.155 -1.342 1.00 25.42 N ATOM 590 CA ALA A 37 9.783 26.761 -0.906 1.00 24.25 C ATOM 591 C ALA A 37 8.711 27.592 -1.602 1.00 22.45 C ATOM 592 O ALA A 37 7.672 27.069 -2.005 1.00 40.34 O ATOM 593 CB ALA A 37 9.661 26.897 0.605 1.00 61.12 C ATOM 0 H ALA A 37 11.467 28.009 -0.908 1.00 25.42 H new ATOM 0 HA ALA A 37 9.631 25.717 -1.180 1.00 24.25 H new ATOM 0 HB1 ALA A 37 8.660 26.600 0.917 1.00 61.12 H new ATOM 0 HB2 ALA A 37 10.398 26.256 1.089 1.00 61.12 H new ATOM 0 HB3 ALA A 37 9.838 27.933 0.892 1.00 61.12 H new ATOM 599 N SER A 38 8.968 28.888 -1.738 1.00 43.23 N ATOM 600 CA SER A 38 8.022 29.792 -2.382 1.00 44.40 C ATOM 601 C SER A 38 8.675 31.138 -2.683 1.00 21.21 C ATOM 602 O SER A 38 9.772 31.430 -2.205 1.00 51.45 O ATOM 603 CB SER A 38 6.794 29.997 -1.492 1.00 73.23 C ATOM 604 OG SER A 38 5.597 29.807 -2.226 1.00 53.20 O ATOM 0 H SER A 38 9.824 29.336 -1.411 1.00 43.23 H new ATOM 0 HA SER A 38 7.709 29.340 -3.324 1.00 44.40 H new ATOM 0 HB2 SER A 38 6.826 29.299 -0.655 1.00 73.23 H new ATOM 0 HB3 SER A 38 6.810 31.002 -1.070 1.00 73.23 H new ATOM 0 HG SER A 38 4.826 29.942 -1.636 1.00 53.20 H new ATOM 610 N LYS A 39 7.993 31.954 -3.479 1.00 41.23 N ATOM 611 CA LYS A 39 8.504 33.270 -3.846 1.00 13.02 C ATOM 612 C LYS A 39 7.955 34.346 -2.913 1.00 62.51 C ATOM 613 O LYS A 39 8.205 35.535 -3.107 1.00 41.12 O ATOM 614 CB LYS A 39 8.134 33.598 -5.294 1.00 32.23 C ATOM 615 CG LYS A 39 8.281 32.420 -6.241 1.00 42.13 C ATOM 616 CD LYS A 39 9.619 31.723 -6.060 1.00 43.02 C ATOM 617 CE LYS A 39 10.769 32.583 -6.563 1.00 21.40 C ATOM 618 NZ LYS A 39 11.344 33.428 -5.480 1.00 54.21 N ATOM 0 H LYS A 39 7.084 31.727 -3.883 1.00 41.23 H new ATOM 0 HA LYS A 39 9.590 33.250 -3.751 1.00 13.02 H new ATOM 0 HB2 LYS A 39 7.104 33.952 -5.326 1.00 32.23 H new ATOM 0 HB3 LYS A 39 8.763 34.416 -5.645 1.00 32.23 H new ATOM 0 HG2 LYS A 39 7.473 31.709 -6.067 1.00 42.13 H new ATOM 0 HG3 LYS A 39 8.186 32.765 -7.270 1.00 42.13 H new ATOM 0 HD2 LYS A 39 9.770 31.492 -5.006 1.00 43.02 H new ATOM 0 HD3 LYS A 39 9.611 30.774 -6.596 1.00 43.02 H new ATOM 0 HE2 LYS A 39 11.548 31.942 -6.976 1.00 21.40 H new ATOM 0 HE3 LYS A 39 10.418 33.221 -7.374 1.00 21.40 H new ATOM 0 HZ1 LYS A 39 12.266 33.801 -5.783 1.00 54.21 H new ATOM 0 HZ2 LYS A 39 10.700 34.219 -5.278 1.00 54.21 H new ATOM 0 HZ3 LYS A 39 11.468 32.855 -4.621 1.00 54.21 H new ATOM 632 N ASP A 40 7.207 33.919 -1.902 1.00 30.33 N ATOM 633 CA ASP A 40 6.625 34.846 -0.938 1.00 73.23 C ATOM 634 C ASP A 40 6.116 34.101 0.293 1.00 61.32 C ATOM 635 O ASP A 40 5.014 34.360 0.777 1.00 32.10 O ATOM 636 CB ASP A 40 5.482 35.633 -1.581 1.00 22.21 C ATOM 637 CG ASP A 40 5.215 36.947 -0.875 1.00 32.12 C ATOM 638 OD1 ASP A 40 6.193 37.642 -0.525 1.00 34.03 O ATOM 639 OD2 ASP A 40 4.029 37.281 -0.672 1.00 41.21 O ATOM 0 H ASP A 40 6.989 32.938 -1.728 1.00 30.33 H new ATOM 0 HA ASP A 40 7.403 35.541 -0.624 1.00 73.23 H new ATOM 0 HB2 ASP A 40 5.722 35.828 -2.626 1.00 22.21 H new ATOM 0 HB3 ASP A 40 4.576 35.027 -1.569 1.00 22.21 H new ATOM 644 N PHE A 41 6.926 33.174 0.794 1.00 43.51 N ATOM 645 CA PHE A 41 6.559 32.391 1.967 1.00 31.24 C ATOM 646 C PHE A 41 7.566 32.593 3.095 1.00 31.41 C ATOM 647 O PHE A 41 7.211 33.029 4.189 1.00 34.42 O ATOM 648 CB PHE A 41 6.470 30.905 1.608 1.00 12.54 C ATOM 649 CG PHE A 41 6.362 30.005 2.805 1.00 74.51 C ATOM 650 CD1 PHE A 41 5.143 29.816 3.438 1.00 44.01 C ATOM 651 CD2 PHE A 41 7.477 29.348 3.296 1.00 25.33 C ATOM 652 CE1 PHE A 41 5.040 28.986 4.539 1.00 13.32 C ATOM 653 CE2 PHE A 41 7.380 28.517 4.397 1.00 43.15 C ATOM 654 CZ PHE A 41 6.160 28.337 5.020 1.00 64.01 C ATOM 0 H PHE A 41 7.841 32.947 0.405 1.00 43.51 H new ATOM 0 HA PHE A 41 5.583 32.735 2.310 1.00 31.24 H new ATOM 0 HB2 PHE A 41 5.605 30.746 0.965 1.00 12.54 H new ATOM 0 HB3 PHE A 41 7.352 30.625 1.031 1.00 12.54 H new ATOM 0 HD1 PHE A 41 4.264 30.323 3.067 1.00 44.01 H new ATOM 0 HD2 PHE A 41 8.433 29.486 2.814 1.00 25.33 H new ATOM 0 HE1 PHE A 41 4.085 28.845 5.022 1.00 13.32 H new ATOM 0 HE2 PHE A 41 8.257 28.009 4.770 1.00 43.15 H new ATOM 0 HZ PHE A 41 6.082 27.690 5.881 1.00 64.01 H new ATOM 664 N ASN A 42 8.826 32.273 2.819 1.00 63.12 N ATOM 665 CA ASN A 42 9.886 32.418 3.810 1.00 43.44 C ATOM 666 C ASN A 42 9.888 33.824 4.403 1.00 72.02 C ATOM 667 O ASN A 42 9.921 34.816 3.675 1.00 52.12 O ATOM 668 CB ASN A 42 11.248 32.117 3.179 1.00 33.32 C ATOM 669 CG ASN A 42 11.725 33.236 2.272 1.00 74.40 C ATOM 670 OD1 ASN A 42 11.450 33.237 1.072 1.00 73.53 O ATOM 671 ND2 ASN A 42 12.442 34.195 2.844 1.00 3.21 N ATOM 0 H ASN A 42 9.138 31.912 1.918 1.00 63.12 H new ATOM 0 HA ASN A 42 9.699 31.704 4.612 1.00 43.44 H new ATOM 0 HB2 ASN A 42 11.983 31.954 3.968 1.00 33.32 H new ATOM 0 HB3 ASN A 42 11.184 31.191 2.607 1.00 33.32 H new ATOM 0 HD22 ASN A 42 12.646 34.153 3.843 1.00 3.21 H new ATOM 677 N ARG A 43 9.852 33.901 5.729 1.00 32.44 N ATOM 678 CA ARG A 43 9.848 35.184 6.420 1.00 3.41 C ATOM 679 C ARG A 43 11.265 35.595 6.812 1.00 72.00 C ATOM 680 O ARG A 43 11.688 35.397 7.951 1.00 70.42 O ATOM 681 CB ARG A 43 8.964 35.114 7.666 1.00 21.23 C ATOM 682 CG ARG A 43 7.598 35.754 7.480 1.00 3.23 C ATOM 683 CD ARG A 43 6.514 34.706 7.281 1.00 61.42 C ATOM 684 NE ARG A 43 5.268 35.292 6.796 1.00 21.12 N ATOM 685 CZ ARG A 43 4.190 34.579 6.492 1.00 34.35 C ATOM 686 NH1 ARG A 43 4.205 33.259 6.624 1.00 14.30 N ATOM 687 NH2 ARG A 43 3.093 35.186 6.058 1.00 73.31 N ATOM 0 H ARG A 43 9.825 33.089 6.346 1.00 32.44 H new ATOM 0 HA ARG A 43 9.445 35.933 5.739 1.00 3.41 H new ATOM 0 HB2 ARG A 43 8.831 34.070 7.949 1.00 21.23 H new ATOM 0 HB3 ARG A 43 9.477 35.605 8.493 1.00 21.23 H new ATOM 0 HG2 ARG A 43 7.360 36.365 8.351 1.00 3.23 H new ATOM 0 HG3 ARG A 43 7.622 36.422 6.619 1.00 3.23 H new ATOM 0 HD2 ARG A 43 6.862 33.955 6.571 1.00 61.42 H new ATOM 0 HD3 ARG A 43 6.330 34.192 8.224 1.00 61.42 H new ATOM 0 HE ARG A 43 5.223 36.305 6.685 1.00 21.12 H new ATOM 0 HH11 ARG A 43 5.046 32.790 6.960 1.00 14.30 H new ATOM 0 HH12 ARG A 43 3.376 32.714 6.390 1.00 14.30 H new ATOM 0 HH21 ARG A 43 3.077 36.201 5.958 1.00 73.31 H new ATOM 0 HH22 ARG A 43 2.265 34.638 5.825 1.00 73.31 H new ATOM 701 N SER A 44 11.995 36.168 5.860 1.00 74.45 N ATOM 702 CA SER A 44 13.365 36.602 6.102 1.00 24.23 C ATOM 703 C SER A 44 13.484 37.292 7.457 1.00 15.35 C ATOM 704 O SER A 44 12.593 38.038 7.868 1.00 21.52 O ATOM 705 CB SER A 44 13.827 37.548 4.993 1.00 23.40 C ATOM 706 OG SER A 44 13.207 38.817 5.113 1.00 74.35 O ATOM 0 H SER A 44 11.659 36.342 4.913 1.00 74.45 H new ATOM 0 HA SER A 44 14.004 35.719 6.105 1.00 24.23 H new ATOM 0 HB2 SER A 44 14.910 37.663 5.037 1.00 23.40 H new ATOM 0 HB3 SER A 44 13.592 37.115 4.021 1.00 23.40 H new ATOM 0 HG SER A 44 13.521 39.404 4.393 1.00 74.35 H new ATOM 712 N LYS A 45 14.589 37.040 8.149 1.00 43.13 N ATOM 713 CA LYS A 45 14.827 37.638 9.457 1.00 62.30 C ATOM 714 C LYS A 45 15.725 38.864 9.341 1.00 52.41 C ATOM 715 O LYS A 45 15.279 39.993 9.544 1.00 40.13 O ATOM 716 CB LYS A 45 15.465 36.613 10.400 1.00 13.42 C ATOM 717 CG LYS A 45 14.733 35.284 10.437 1.00 65.21 C ATOM 718 CD LYS A 45 15.447 34.231 9.605 1.00 11.03 C ATOM 719 CE LYS A 45 14.606 33.799 8.413 1.00 64.43 C ATOM 720 NZ LYS A 45 13.278 33.275 8.833 1.00 33.52 N ATOM 0 H LYS A 45 15.335 36.425 7.825 1.00 43.13 H new ATOM 0 HA LYS A 45 13.866 37.952 9.865 1.00 62.30 H new ATOM 0 HB2 LYS A 45 16.497 36.442 10.093 1.00 13.42 H new ATOM 0 HB3 LYS A 45 15.497 37.029 11.407 1.00 13.42 H new ATOM 0 HG2 LYS A 45 14.652 34.941 11.468 1.00 65.21 H new ATOM 0 HG3 LYS A 45 13.717 35.416 10.064 1.00 65.21 H new ATOM 0 HD2 LYS A 45 16.400 34.627 9.255 1.00 11.03 H new ATOM 0 HD3 LYS A 45 15.671 33.364 10.227 1.00 11.03 H new ATOM 0 HE2 LYS A 45 14.466 34.646 7.741 1.00 64.43 H new ATOM 0 HE3 LYS A 45 15.139 33.031 7.852 1.00 64.43 H new ATOM 0 HZ1 LYS A 45 13.092 32.373 8.349 1.00 33.52 H new ATOM 0 HZ2 LYS A 45 13.274 33.123 9.862 1.00 33.52 H new ATOM 0 HZ3 LYS A 45 12.539 33.962 8.582 1.00 33.52 H new ATOM 734 N ALA A 46 16.993 38.636 9.010 1.00 74.43 N ATOM 735 CA ALA A 46 17.951 39.724 8.862 1.00 45.14 C ATOM 736 C ALA A 46 17.627 40.579 7.643 1.00 40.05 C ATOM 737 O ALA A 46 17.947 41.768 7.602 1.00 13.03 O ATOM 738 CB ALA A 46 19.366 39.170 8.761 1.00 15.44 C ATOM 0 H ALA A 46 17.379 37.708 8.840 1.00 74.43 H new ATOM 0 HA ALA A 46 17.883 40.359 9.746 1.00 45.14 H new ATOM 0 HB1 ALA A 46 20.072 39.993 8.651 1.00 15.44 H new ATOM 0 HB2 ALA A 46 19.602 38.608 9.665 1.00 15.44 H new ATOM 0 HB3 ALA A 46 19.438 38.512 7.895 1.00 15.44 H new ATOM 744 N LEU A 47 16.992 39.968 6.649 1.00 53.02 N ATOM 745 CA LEU A 47 16.625 40.674 5.426 1.00 73.25 C ATOM 746 C LEU A 47 17.867 41.125 4.664 1.00 44.34 C ATOM 747 O LEU A 47 18.995 40.875 5.090 1.00 33.34 O ATOM 748 CB LEU A 47 15.749 41.884 5.755 1.00 34.35 C ATOM 749 CG LEU A 47 14.676 41.664 6.823 1.00 3.32 C ATOM 750 CD1 LEU A 47 14.974 42.499 8.058 1.00 1.24 C ATOM 751 CD2 LEU A 47 13.298 41.998 6.271 1.00 61.43 C ATOM 0 H LEU A 47 16.720 38.985 6.666 1.00 53.02 H new ATOM 0 HA LEU A 47 16.063 39.986 4.794 1.00 73.25 H new ATOM 0 HB2 LEU A 47 16.396 42.698 6.081 1.00 34.35 H new ATOM 0 HB3 LEU A 47 15.259 42.213 4.839 1.00 34.35 H new ATOM 0 HG LEU A 47 14.686 40.612 7.109 1.00 3.32 H new ATOM 0 HD11 LEU A 47 14.200 42.330 8.807 1.00 1.24 H new ATOM 0 HD12 LEU A 47 15.943 42.212 8.466 1.00 1.24 H new ATOM 0 HD13 LEU A 47 14.992 43.555 7.788 1.00 1.24 H new ATOM 0 HD21 LEU A 47 12.547 41.836 7.044 1.00 61.43 H new ATOM 0 HD22 LEU A 47 13.275 43.041 5.956 1.00 61.43 H new ATOM 0 HD23 LEU A 47 13.083 41.357 5.416 1.00 61.43 H new ATOM 763 N PHE A 48 17.653 41.791 3.534 1.00 13.31 N ATOM 764 CA PHE A 48 18.754 42.278 2.713 1.00 44.42 C ATOM 765 C PHE A 48 19.740 43.089 3.550 1.00 41.21 C ATOM 766 O PHE A 48 20.924 43.174 3.225 1.00 63.44 O ATOM 767 CB PHE A 48 18.221 43.133 1.561 1.00 1.45 C ATOM 768 CG PHE A 48 17.818 44.519 1.981 1.00 42.34 C ATOM 769 CD1 PHE A 48 16.915 44.709 3.013 1.00 35.35 C ATOM 770 CD2 PHE A 48 18.344 45.631 1.341 1.00 34.52 C ATOM 771 CE1 PHE A 48 16.542 45.983 3.400 1.00 35.43 C ATOM 772 CE2 PHE A 48 17.975 46.906 1.724 1.00 35.20 C ATOM 773 CZ PHE A 48 17.073 47.082 2.755 1.00 32.22 C ATOM 0 H PHE A 48 16.726 42.006 3.166 1.00 13.31 H new ATOM 0 HA PHE A 48 19.277 41.414 2.303 1.00 44.42 H new ATOM 0 HB2 PHE A 48 18.986 43.204 0.787 1.00 1.45 H new ATOM 0 HB3 PHE A 48 17.362 42.633 1.115 1.00 1.45 H new ATOM 0 HD1 PHE A 48 16.497 43.853 3.521 1.00 35.35 H new ATOM 0 HD2 PHE A 48 19.050 45.499 0.534 1.00 34.52 H new ATOM 0 HE1 PHE A 48 15.836 46.118 4.206 1.00 35.43 H new ATOM 0 HE2 PHE A 48 18.391 47.764 1.218 1.00 35.20 H new ATOM 0 HZ PHE A 48 16.784 48.078 3.056 1.00 32.22 H new ATOM 783 N SER A 49 19.240 43.685 4.627 1.00 5.54 N ATOM 784 CA SER A 49 20.075 44.494 5.510 1.00 53.13 C ATOM 785 C SER A 49 20.855 45.536 4.714 1.00 20.24 C ATOM 786 O SER A 49 20.603 45.742 3.527 1.00 62.53 O ATOM 787 CB SER A 49 21.043 43.602 6.289 1.00 34.35 C ATOM 788 OG SER A 49 20.382 42.457 6.799 1.00 64.51 O ATOM 0 H SER A 49 18.262 43.624 4.910 1.00 5.54 H new ATOM 0 HA SER A 49 19.423 45.012 6.213 1.00 53.13 H new ATOM 0 HB2 SER A 49 21.862 43.294 5.639 1.00 34.35 H new ATOM 0 HB3 SER A 49 21.483 44.168 7.110 1.00 34.35 H new ATOM 0 HG SER A 49 19.440 42.670 6.965 1.00 64.51 H new ATOM 794 N GLN A 50 21.802 46.191 5.378 1.00 13.12 N ATOM 795 CA GLN A 50 22.619 47.212 4.734 1.00 12.31 C ATOM 796 C GLN A 50 23.415 46.622 3.575 1.00 14.34 C ATOM 797 O GLN A 50 23.769 47.327 2.630 1.00 3.32 O ATOM 798 CB GLN A 50 23.569 47.851 5.748 1.00 23.53 C ATOM 799 CG GLN A 50 24.494 48.895 5.144 1.00 33.21 C ATOM 800 CD GLN A 50 25.027 49.869 6.175 1.00 11.43 C ATOM 801 OE1 GLN A 50 25.638 49.469 7.166 1.00 2.04 O ATOM 802 NE2 GLN A 50 24.800 51.157 5.946 1.00 12.34 N ATOM 0 H GLN A 50 22.022 46.033 6.361 1.00 13.12 H new ATOM 0 HA GLN A 50 21.952 47.978 4.339 1.00 12.31 H new ATOM 0 HB2 GLN A 50 22.982 48.314 6.541 1.00 23.53 H new ATOM 0 HB3 GLN A 50 24.171 47.069 6.211 1.00 23.53 H new ATOM 0 HG2 GLN A 50 25.330 48.395 4.656 1.00 33.21 H new ATOM 0 HG3 GLN A 50 23.958 49.447 4.372 1.00 33.21 H new ATOM 0 HE21 GLN A 50 24.289 51.444 5.111 1.00 12.34 H new ATOM 0 HE22 GLN A 50 25.137 51.859 6.605 1.00 12.34 H new ATOM 811 N SER A 51 23.693 45.325 3.654 1.00 34.01 N ATOM 812 CA SER A 51 24.450 44.641 2.613 1.00 64.15 C ATOM 813 C SER A 51 24.558 43.149 2.912 1.00 75.34 C ATOM 814 O SER A 51 25.591 42.671 3.381 1.00 54.21 O ATOM 815 CB SER A 51 25.848 45.249 2.487 1.00 50.43 C ATOM 816 OG SER A 51 25.879 46.253 1.486 1.00 64.43 O ATOM 0 H SER A 51 23.405 44.727 4.428 1.00 34.01 H new ATOM 0 HA SER A 51 23.919 44.768 1.669 1.00 64.15 H new ATOM 0 HB2 SER A 51 26.150 45.675 3.444 1.00 50.43 H new ATOM 0 HB3 SER A 51 26.568 44.467 2.245 1.00 50.43 H new ATOM 0 HG SER A 51 25.125 46.866 1.614 1.00 64.43 H new ATOM 822 N ALA A 52 23.483 42.417 2.636 1.00 53.15 N ATOM 823 CA ALA A 52 23.456 40.979 2.872 1.00 52.21 C ATOM 824 C ALA A 52 24.123 40.222 1.729 1.00 45.43 C ATOM 825 O ALA A 52 25.086 39.483 1.940 1.00 45.24 O ATOM 826 CB ALA A 52 22.023 40.502 3.058 1.00 61.45 C ATOM 0 H ALA A 52 22.619 42.797 2.249 1.00 53.15 H new ATOM 0 HA ALA A 52 24.017 40.775 3.784 1.00 52.21 H new ATOM 0 HB1 ALA A 52 22.017 39.426 3.233 1.00 61.45 H new ATOM 0 HB2 ALA A 52 21.578 41.011 3.913 1.00 61.45 H new ATOM 0 HB3 ALA A 52 21.446 40.726 2.161 1.00 61.45 H new ATOM 832 N ILE A 53 23.607 40.411 0.519 1.00 62.51 N ATOM 833 CA ILE A 53 24.155 39.746 -0.656 1.00 74.44 C ATOM 834 C ILE A 53 24.130 40.667 -1.871 1.00 33.43 C ATOM 835 O ILE A 53 23.300 41.573 -1.959 1.00 62.22 O ATOM 836 CB ILE A 53 23.378 38.457 -0.988 1.00 33.43 C ATOM 837 CG1 ILE A 53 22.680 37.920 0.265 1.00 42.34 C ATOM 838 CG2 ILE A 53 24.314 37.409 -1.570 1.00 33.35 C ATOM 839 CD1 ILE A 53 22.104 36.533 0.087 1.00 0.11 C ATOM 0 H ILE A 53 22.811 41.019 0.327 1.00 62.51 H new ATOM 0 HA ILE A 53 25.187 39.488 -0.419 1.00 74.44 H new ATOM 0 HB ILE A 53 22.618 38.690 -1.733 1.00 33.43 H new ATOM 0 HG12 ILE A 53 23.392 37.906 1.090 1.00 42.34 H new ATOM 0 HG13 ILE A 53 21.879 38.604 0.547 1.00 42.34 H new ATOM 0 HG21 ILE A 53 23.750 36.505 -1.799 1.00 33.35 H new ATOM 0 HG22 ILE A 53 24.769 37.794 -2.483 1.00 33.35 H new ATOM 0 HG23 ILE A 53 25.095 37.176 -0.846 1.00 33.35 H new ATOM 0 HD11 ILE A 53 21.625 36.216 1.013 1.00 0.11 H new ATOM 0 HD12 ILE A 53 21.368 36.545 -0.716 1.00 0.11 H new ATOM 0 HD13 ILE A 53 22.904 35.836 -0.164 1.00 0.11 H new ATOM 851 N SER A 54 25.042 40.428 -2.807 1.00 3.42 N ATOM 852 CA SER A 54 25.127 41.238 -4.017 1.00 22.23 C ATOM 853 C SER A 54 24.086 40.796 -5.040 1.00 71.40 C ATOM 854 O SER A 54 24.381 40.012 -5.942 1.00 42.01 O ATOM 855 CB SER A 54 26.528 41.142 -4.624 1.00 4.01 C ATOM 856 OG SER A 54 27.189 39.965 -4.196 1.00 64.25 O ATOM 0 H SER A 54 25.733 39.680 -2.751 1.00 3.42 H new ATOM 0 HA SER A 54 24.927 42.275 -3.745 1.00 22.23 H new ATOM 0 HB2 SER A 54 26.458 41.148 -5.712 1.00 4.01 H new ATOM 0 HB3 SER A 54 27.113 42.016 -4.337 1.00 4.01 H new ATOM 0 HG SER A 54 26.685 39.180 -4.496 1.00 64.25 H new ATOM 862 N GLN A 55 22.866 41.304 -4.893 1.00 44.33 N ATOM 863 CA GLN A 55 21.781 40.961 -5.804 1.00 11.12 C ATOM 864 C GLN A 55 22.218 41.122 -7.256 1.00 55.15 C ATOM 865 O GLN A 55 21.688 40.463 -8.152 1.00 4.42 O ATOM 866 CB GLN A 55 20.558 41.837 -5.527 1.00 21.31 C ATOM 867 CG GLN A 55 20.064 41.756 -4.091 1.00 43.22 C ATOM 868 CD GLN A 55 18.647 42.271 -3.930 1.00 42.22 C ATOM 869 OE1 GLN A 55 18.392 43.183 -3.144 1.00 73.22 O ATOM 870 NE2 GLN A 55 17.718 41.688 -4.678 1.00 72.14 N ATOM 0 H GLN A 55 22.605 41.954 -4.152 1.00 44.33 H new ATOM 0 HA GLN A 55 21.517 39.917 -5.637 1.00 11.12 H new ATOM 0 HB2 GLN A 55 20.803 42.873 -5.760 1.00 21.31 H new ATOM 0 HB3 GLN A 55 19.751 41.542 -6.197 1.00 21.31 H new ATOM 0 HG2 GLN A 55 20.111 40.721 -3.753 1.00 43.22 H new ATOM 0 HG3 GLN A 55 20.731 42.331 -3.449 1.00 43.22 H new ATOM 0 HE21 GLN A 55 17.976 40.935 -5.316 1.00 72.14 H new ATOM 0 HE22 GLN A 55 16.747 41.993 -4.614 1.00 72.14 H new ATOM 879 N LYS A 56 23.186 42.003 -7.483 1.00 42.23 N ATOM 880 CA LYS A 56 23.696 42.251 -8.827 1.00 30.20 C ATOM 881 C LYS A 56 24.070 40.943 -9.517 1.00 0.23 C ATOM 882 O LYS A 56 23.999 40.835 -10.741 1.00 64.23 O ATOM 883 CB LYS A 56 24.912 43.177 -8.770 1.00 62.05 C ATOM 884 CG LYS A 56 25.968 42.733 -7.772 1.00 2.11 C ATOM 885 CD LYS A 56 27.317 43.370 -8.066 1.00 74.31 C ATOM 886 CE LYS A 56 28.453 42.376 -7.889 1.00 20.33 C ATOM 887 NZ LYS A 56 29.734 43.052 -7.543 1.00 2.42 N ATOM 0 H LYS A 56 23.634 42.558 -6.753 1.00 42.23 H new ATOM 0 HA LYS A 56 22.907 42.733 -9.405 1.00 30.20 H new ATOM 0 HB2 LYS A 56 25.362 43.234 -9.761 1.00 62.05 H new ATOM 0 HB3 LYS A 56 24.581 44.183 -8.512 1.00 62.05 H new ATOM 0 HG2 LYS A 56 25.651 42.999 -6.763 1.00 2.11 H new ATOM 0 HG3 LYS A 56 26.063 41.648 -7.801 1.00 2.11 H new ATOM 0 HD2 LYS A 56 27.324 43.755 -9.086 1.00 74.31 H new ATOM 0 HD3 LYS A 56 27.471 44.221 -7.403 1.00 74.31 H new ATOM 0 HE2 LYS A 56 28.194 41.665 -7.104 1.00 20.33 H new ATOM 0 HE3 LYS A 56 28.581 41.804 -8.808 1.00 20.33 H new ATOM 0 HZ1 LYS A 56 30.483 42.340 -7.431 1.00 2.42 H new ATOM 0 HZ2 LYS A 56 29.995 43.712 -8.303 1.00 2.42 H new ATOM 0 HZ3 LYS A 56 29.620 43.577 -6.653 1.00 2.42 H new ATOM 901 N GLU A 57 24.466 39.953 -8.723 1.00 45.42 N ATOM 902 CA GLU A 57 24.852 38.653 -9.260 1.00 12.23 C ATOM 903 C GLU A 57 24.411 37.528 -8.327 1.00 43.31 C ATOM 904 O GLU A 57 24.854 36.387 -8.461 1.00 44.10 O ATOM 905 CB GLU A 57 26.365 38.592 -9.472 1.00 63.13 C ATOM 906 CG GLU A 57 26.769 38.384 -10.922 1.00 11.22 C ATOM 907 CD GLU A 57 28.242 38.653 -11.162 1.00 72.31 C ATOM 908 OE1 GLU A 57 29.064 37.765 -10.850 1.00 13.24 O ATOM 909 OE2 GLU A 57 28.573 39.748 -11.661 1.00 2.00 O ATOM 0 H GLU A 57 24.528 40.026 -7.708 1.00 45.42 H new ATOM 0 HA GLU A 57 24.354 38.522 -10.221 1.00 12.23 H new ATOM 0 HB2 GLU A 57 26.812 39.517 -9.108 1.00 63.13 H new ATOM 0 HB3 GLU A 57 26.775 37.782 -8.870 1.00 63.13 H new ATOM 0 HG2 GLU A 57 26.538 37.360 -11.216 1.00 11.22 H new ATOM 0 HG3 GLU A 57 26.175 39.040 -11.558 1.00 11.22 H new ATOM 916 N TYR A 58 23.537 37.858 -7.382 1.00 44.23 N ATOM 917 CA TYR A 58 23.040 36.878 -6.426 1.00 33.25 C ATOM 918 C TYR A 58 21.556 37.096 -6.144 1.00 71.34 C ATOM 919 O TYR A 58 20.931 37.994 -6.709 1.00 64.01 O ATOM 920 CB TYR A 58 23.835 36.958 -5.121 1.00 72.01 C ATOM 921 CG TYR A 58 24.872 35.868 -4.976 1.00 52.22 C ATOM 922 CD1 TYR A 58 24.495 34.542 -4.801 1.00 40.24 C ATOM 923 CD2 TYR A 58 26.229 36.163 -5.013 1.00 42.25 C ATOM 924 CE1 TYR A 58 25.440 33.543 -4.667 1.00 70.44 C ATOM 925 CE2 TYR A 58 27.181 35.171 -4.883 1.00 31.33 C ATOM 926 CZ TYR A 58 26.781 33.861 -4.709 1.00 54.51 C ATOM 927 OH TYR A 58 27.726 32.869 -4.577 1.00 15.34 O ATOM 0 H TYR A 58 23.159 38.797 -7.258 1.00 44.23 H new ATOM 0 HA TYR A 58 23.167 35.887 -6.861 1.00 33.25 H new ATOM 0 HB2 TYR A 58 24.329 37.928 -5.065 1.00 72.01 H new ATOM 0 HB3 TYR A 58 23.143 36.904 -4.280 1.00 72.01 H new ATOM 0 HD1 TYR A 58 23.446 34.288 -4.769 1.00 40.24 H new ATOM 0 HD2 TYR A 58 26.545 37.187 -5.146 1.00 42.25 H new ATOM 0 HE1 TYR A 58 25.130 32.518 -4.530 1.00 70.44 H new ATOM 0 HE2 TYR A 58 28.232 35.418 -4.917 1.00 31.33 H new ATOM 0 HH TYR A 58 28.622 33.262 -4.630 1.00 15.34 H new ATOM 937 N ASP A 59 21.000 36.268 -5.267 1.00 12.31 N ATOM 938 CA ASP A 59 19.590 36.369 -4.908 1.00 14.34 C ATOM 939 C ASP A 59 19.318 35.682 -3.574 1.00 30.41 C ATOM 940 O ASP A 59 20.146 34.917 -3.078 1.00 74.44 O ATOM 941 CB ASP A 59 18.716 35.753 -6.002 1.00 5.23 C ATOM 942 CG ASP A 59 18.007 36.801 -6.836 1.00 72.31 C ATOM 943 OD1 ASP A 59 17.465 37.759 -6.248 1.00 14.44 O ATOM 944 OD2 ASP A 59 17.994 36.663 -8.077 1.00 54.14 O ATOM 0 H ASP A 59 21.504 35.519 -4.791 1.00 12.31 H new ATOM 0 HA ASP A 59 19.341 37.426 -4.809 1.00 14.34 H new ATOM 0 HB2 ASP A 59 19.335 35.134 -6.651 1.00 5.23 H new ATOM 0 HB3 ASP A 59 17.977 35.096 -5.545 1.00 5.23 H new ATOM 949 N SER A 60 18.153 35.959 -2.997 1.00 2.33 N ATOM 950 CA SER A 60 17.774 35.371 -1.718 1.00 74.33 C ATOM 951 C SER A 60 16.919 34.123 -1.926 1.00 13.52 C ATOM 952 O SER A 60 16.894 33.227 -1.083 1.00 4.32 O ATOM 953 CB SER A 60 17.011 36.390 -0.870 1.00 65.41 C ATOM 954 OG SER A 60 16.800 37.594 -1.586 1.00 72.11 O ATOM 0 H SER A 60 17.455 36.587 -3.395 1.00 2.33 H new ATOM 0 HA SER A 60 18.685 35.083 -1.194 1.00 74.33 H new ATOM 0 HB2 SER A 60 16.052 35.970 -0.568 1.00 65.41 H new ATOM 0 HB3 SER A 60 17.569 36.599 0.043 1.00 65.41 H new ATOM 0 HG SER A 60 15.887 37.607 -1.943 1.00 72.11 H new ATOM 960 N SER A 61 16.219 34.075 -3.055 1.00 14.52 N ATOM 961 CA SER A 61 15.359 32.941 -3.374 1.00 1.23 C ATOM 962 C SER A 61 16.166 31.648 -3.434 1.00 23.01 C ATOM 963 O SER A 61 15.622 30.555 -3.268 1.00 5.41 O ATOM 964 CB SER A 61 14.646 33.174 -4.707 1.00 12.13 C ATOM 965 OG SER A 61 15.270 32.450 -5.752 1.00 20.52 O ATOM 0 H SER A 61 16.230 34.808 -3.764 1.00 14.52 H new ATOM 0 HA SER A 61 14.614 32.847 -2.584 1.00 1.23 H new ATOM 0 HB2 SER A 61 13.602 32.871 -4.623 1.00 12.13 H new ATOM 0 HB3 SER A 61 14.650 34.238 -4.944 1.00 12.13 H new ATOM 0 HG SER A 61 14.795 32.614 -6.593 1.00 20.52 H new ATOM 971 N LEU A 62 17.465 31.780 -3.673 1.00 44.25 N ATOM 972 CA LEU A 62 18.350 30.623 -3.756 1.00 51.42 C ATOM 973 C LEU A 62 18.962 30.307 -2.395 1.00 4.12 C ATOM 974 O LEU A 62 19.765 29.383 -2.264 1.00 42.40 O ATOM 975 CB LEU A 62 19.457 30.874 -4.780 1.00 51.44 C ATOM 976 CG LEU A 62 20.604 31.776 -4.322 1.00 65.11 C ATOM 977 CD1 LEU A 62 21.921 31.017 -4.346 1.00 44.45 C ATOM 978 CD2 LEU A 62 20.686 33.021 -5.194 1.00 24.13 C ATOM 0 H LEU A 62 17.930 32.677 -3.813 1.00 44.25 H new ATOM 0 HA LEU A 62 17.757 29.766 -4.075 1.00 51.42 H new ATOM 0 HB2 LEU A 62 19.874 29.912 -5.077 1.00 51.44 H new ATOM 0 HB3 LEU A 62 19.008 31.315 -5.670 1.00 51.44 H new ATOM 0 HG LEU A 62 20.407 32.089 -3.297 1.00 65.11 H new ATOM 0 HD11 LEU A 62 22.726 31.674 -4.017 1.00 44.45 H new ATOM 0 HD12 LEU A 62 21.858 30.158 -3.678 1.00 44.45 H new ATOM 0 HD13 LEU A 62 22.125 30.674 -5.360 1.00 44.45 H new ATOM 0 HD21 LEU A 62 21.508 33.651 -4.853 1.00 24.13 H new ATOM 0 HD22 LEU A 62 20.858 32.729 -6.230 1.00 24.13 H new ATOM 0 HD23 LEU A 62 19.751 33.576 -5.124 1.00 24.13 H new ATOM 990 N ALA A 63 18.578 31.080 -1.385 1.00 34.34 N ATOM 991 CA ALA A 63 19.086 30.880 -0.034 1.00 34.05 C ATOM 992 C ALA A 63 18.133 31.467 1.004 1.00 71.25 C ATOM 993 O ALA A 63 18.211 32.651 1.333 1.00 4.13 O ATOM 994 CB ALA A 63 20.468 31.498 0.107 1.00 23.51 C ATOM 0 H ALA A 63 17.916 31.851 -1.477 1.00 34.34 H new ATOM 0 HA ALA A 63 19.160 29.807 0.144 1.00 34.05 H new ATOM 0 HB1 ALA A 63 20.835 31.341 1.121 1.00 23.51 H new ATOM 0 HB2 ALA A 63 21.150 31.029 -0.602 1.00 23.51 H new ATOM 0 HB3 ALA A 63 20.411 32.567 -0.097 1.00 23.51 H new ATOM 1000 N THR A 64 17.234 30.631 1.515 1.00 41.41 N ATOM 1001 CA THR A 64 16.266 31.069 2.512 1.00 61.31 C ATOM 1002 C THR A 64 16.179 30.075 3.666 1.00 15.51 C ATOM 1003 O THR A 64 15.354 30.227 4.568 1.00 1.11 O ATOM 1004 CB THR A 64 14.866 31.246 1.896 1.00 73.00 C ATOM 1005 OG1 THR A 64 14.410 30.005 1.347 1.00 63.33 O ATOM 1006 CG2 THR A 64 14.883 32.311 0.809 1.00 25.40 C ATOM 0 H THR A 64 17.157 29.648 1.255 1.00 41.41 H new ATOM 0 HA THR A 64 16.613 32.031 2.889 1.00 61.31 H new ATOM 0 HB THR A 64 14.185 31.565 2.685 1.00 73.00 H new ATOM 0 HG1 THR A 64 13.518 30.127 0.959 1.00 63.33 H new ATOM 0 HG21 THR A 64 13.883 32.418 0.389 1.00 25.40 H new ATOM 0 HG22 THR A 64 15.201 33.262 1.236 1.00 25.40 H new ATOM 0 HG23 THR A 64 15.578 32.017 0.022 1.00 25.40 H new ATOM 1014 N LEU A 65 17.034 29.060 3.630 1.00 32.44 N ATOM 1015 CA LEU A 65 17.055 28.040 4.675 1.00 54.33 C ATOM 1016 C LEU A 65 15.640 27.577 5.010 1.00 62.21 C ATOM 1017 O LEU A 65 15.358 27.186 6.144 1.00 74.24 O ATOM 1018 CB LEU A 65 17.737 28.584 5.931 1.00 24.43 C ATOM 1019 CG LEU A 65 18.242 30.024 5.852 1.00 55.35 C ATOM 1020 CD1 LEU A 65 17.276 30.968 6.555 1.00 63.15 C ATOM 1021 CD2 LEU A 65 19.634 30.137 6.455 1.00 74.20 C ATOM 0 H LEU A 65 17.722 28.920 2.890 1.00 32.44 H new ATOM 0 HA LEU A 65 17.620 27.185 4.304 1.00 54.33 H new ATOM 0 HB2 LEU A 65 17.034 28.512 6.761 1.00 24.43 H new ATOM 0 HB3 LEU A 65 18.581 27.937 6.171 1.00 24.43 H new ATOM 0 HG LEU A 65 18.300 30.310 4.802 1.00 55.35 H new ATOM 0 HD11 LEU A 65 17.652 31.989 6.489 1.00 63.15 H new ATOM 0 HD12 LEU A 65 16.298 30.910 6.077 1.00 63.15 H new ATOM 0 HD13 LEU A 65 17.186 30.682 7.603 1.00 63.15 H new ATOM 0 HD21 LEU A 65 19.976 31.170 6.389 1.00 74.20 H new ATOM 0 HD22 LEU A 65 19.604 29.831 7.501 1.00 74.20 H new ATOM 0 HD23 LEU A 65 20.321 29.492 5.908 1.00 74.20 H new ATOM 1033 N ASP A 66 14.758 27.621 4.018 1.00 64.42 N ATOM 1034 CA ASP A 66 13.374 27.201 4.207 1.00 24.44 C ATOM 1035 C ASP A 66 13.306 25.774 4.742 1.00 3.31 C ATOM 1036 O ASP A 66 14.232 24.984 4.553 1.00 43.42 O ATOM 1037 CB ASP A 66 12.604 27.301 2.890 1.00 52.42 C ATOM 1038 CG ASP A 66 11.381 28.191 3.000 1.00 20.03 C ATOM 1039 OD1 ASP A 66 10.685 28.117 4.034 1.00 70.21 O ATOM 1040 OD2 ASP A 66 11.120 28.961 2.052 1.00 41.21 O ATOM 0 H ASP A 66 14.976 27.943 3.075 1.00 64.42 H new ATOM 0 HA ASP A 66 12.916 27.866 4.939 1.00 24.44 H new ATOM 0 HB2 ASP A 66 13.264 27.690 2.115 1.00 52.42 H new ATOM 0 HB3 ASP A 66 12.297 26.304 2.576 1.00 52.42 H new ATOM 1045 N HIS A 67 12.205 25.450 5.412 1.00 63.51 N ATOM 1046 CA HIS A 67 12.017 24.118 5.975 1.00 21.20 C ATOM 1047 C HIS A 67 10.775 23.452 5.391 1.00 30.51 C ATOM 1048 O HIS A 67 9.775 24.114 5.112 1.00 1.00 O ATOM 1049 CB HIS A 67 11.900 24.197 7.498 1.00 61.10 C ATOM 1050 CG HIS A 67 13.009 24.967 8.144 1.00 4.15 C ATOM 1051 ND1 HIS A 67 14.312 25.102 7.801 1.00 71.41 N flip ATOM 1052 CD2 HIS A 67 12.837 25.716 9.290 1.00 30.40 C flip ATOM 1053 CE1 HIS A 67 14.896 25.922 8.735 1.00 23.11 C flip ATOM 1054 NE2 HIS A 67 13.985 26.279 9.622 1.00 70.42 N flip ATOM 0 H HIS A 67 11.430 26.091 5.578 1.00 63.51 H new ATOM 0 HA HIS A 67 12.887 23.514 5.716 1.00 21.20 H new ATOM 0 HB2 HIS A 67 10.948 24.660 7.758 1.00 61.10 H new ATOM 0 HB3 HIS A 67 11.885 23.186 7.906 1.00 61.10 H new ATOM 0 HD2 HIS A 67 11.909 25.825 9.831 1.00 30.40 H new ATOM 0 HE1 HIS A 67 15.932 26.226 8.743 1.00 23.11 H new ATOM 0 HE2 HIS A 67 14.141 26.886 10.427 1.00 70.42 H new ATOM 1062 N THR A 68 10.845 22.136 5.209 1.00 24.13 N ATOM 1063 CA THR A 68 9.728 21.380 4.657 1.00 51.41 C ATOM 1064 C THR A 68 9.442 20.135 5.488 1.00 43.24 C ATOM 1065 O THR A 68 10.243 19.201 5.518 1.00 54.45 O ATOM 1066 CB THR A 68 9.999 20.961 3.200 1.00 61.24 C ATOM 1067 OG1 THR A 68 10.117 22.122 2.369 1.00 31.44 O ATOM 1068 CG2 THR A 68 8.883 20.068 2.678 1.00 63.34 C ATOM 0 H THR A 68 11.664 21.572 5.436 1.00 24.13 H new ATOM 0 HA THR A 68 8.859 22.037 4.682 1.00 51.41 H new ATOM 0 HB THR A 68 10.934 20.401 3.174 1.00 61.24 H new ATOM 0 HG1 THR A 68 10.291 21.846 1.445 1.00 31.44 H new ATOM 0 HG21 THR A 68 9.096 19.785 1.647 1.00 63.34 H new ATOM 0 HG22 THR A 68 8.816 19.172 3.294 1.00 63.34 H new ATOM 0 HG23 THR A 68 7.937 20.607 2.718 1.00 63.34 H new ATOM 1076 N GLU A 69 8.297 20.128 6.162 1.00 14.32 N ATOM 1077 CA GLU A 69 7.906 18.997 6.994 1.00 72.24 C ATOM 1078 C GLU A 69 7.217 17.920 6.159 1.00 2.04 C ATOM 1079 O GLU A 69 6.086 18.098 5.710 1.00 13.33 O ATOM 1080 CB GLU A 69 6.977 19.458 8.119 1.00 25.22 C ATOM 1081 CG GLU A 69 7.448 20.723 8.817 1.00 71.23 C ATOM 1082 CD GLU A 69 6.471 21.205 9.872 1.00 52.13 C ATOM 1083 OE1 GLU A 69 5.312 20.738 9.866 1.00 42.13 O ATOM 1084 OE2 GLU A 69 6.866 22.049 10.703 1.00 30.11 O ATOM 0 H GLU A 69 7.623 20.894 6.148 1.00 14.32 H new ATOM 0 HA GLU A 69 8.809 18.572 7.431 1.00 72.24 H new ATOM 0 HB2 GLU A 69 5.981 19.628 7.710 1.00 25.22 H new ATOM 0 HB3 GLU A 69 6.887 18.659 8.855 1.00 25.22 H new ATOM 0 HG2 GLU A 69 8.417 20.538 9.281 1.00 71.23 H new ATOM 0 HG3 GLU A 69 7.594 21.509 8.076 1.00 71.23 H new ATOM 1091 N ILE A 70 7.910 16.804 5.958 1.00 35.32 N ATOM 1092 CA ILE A 70 7.364 15.699 5.178 1.00 65.42 C ATOM 1093 C ILE A 70 6.226 15.010 5.924 1.00 63.43 C ATOM 1094 O ILE A 70 6.459 14.182 6.806 1.00 55.01 O ATOM 1095 CB ILE A 70 8.449 14.657 4.843 1.00 1.25 C ATOM 1096 CG1 ILE A 70 9.506 15.269 3.920 1.00 33.24 C ATOM 1097 CG2 ILE A 70 7.823 13.429 4.201 1.00 70.14 C ATOM 1098 CD1 ILE A 70 10.582 16.033 4.657 1.00 3.33 C ATOM 0 H ILE A 70 8.848 16.641 6.323 1.00 35.32 H new ATOM 0 HA ILE A 70 6.982 16.125 4.250 1.00 65.42 H new ATOM 0 HB ILE A 70 8.936 14.350 5.768 1.00 1.25 H new ATOM 0 HG12 ILE A 70 9.971 14.474 3.336 1.00 33.24 H new ATOM 0 HG13 ILE A 70 9.016 15.938 3.213 1.00 33.24 H new ATOM 0 HG21 ILE A 70 8.602 12.702 3.970 1.00 70.14 H new ATOM 0 HG22 ILE A 70 7.105 12.985 4.890 1.00 70.14 H new ATOM 0 HG23 ILE A 70 7.313 13.719 3.282 1.00 70.14 H new ATOM 0 HD11 ILE A 70 11.296 16.439 3.940 1.00 3.33 H new ATOM 0 HD12 ILE A 70 10.128 16.849 5.219 1.00 3.33 H new ATOM 0 HD13 ILE A 70 11.099 15.363 5.344 1.00 3.33 H new ATOM 1110 N LYS A 71 4.996 15.354 5.561 1.00 30.11 N ATOM 1111 CA LYS A 71 3.819 14.766 6.192 1.00 63.13 C ATOM 1112 C LYS A 71 3.293 13.591 5.374 1.00 3.13 C ATOM 1113 O LYS A 71 3.487 13.531 4.160 1.00 63.30 O ATOM 1114 CB LYS A 71 2.722 15.821 6.355 1.00 73.24 C ATOM 1115 CG LYS A 71 3.238 17.248 6.302 1.00 52.02 C ATOM 1116 CD LYS A 71 2.226 18.228 6.872 1.00 52.54 C ATOM 1117 CE LYS A 71 2.758 18.915 8.121 1.00 53.14 C ATOM 1118 NZ LYS A 71 1.992 18.526 9.336 1.00 4.43 N ATOM 0 H LYS A 71 4.787 16.037 4.833 1.00 30.11 H new ATOM 0 HA LYS A 71 4.110 14.399 7.176 1.00 63.13 H new ATOM 0 HB2 LYS A 71 1.978 15.683 5.571 1.00 73.24 H new ATOM 0 HB3 LYS A 71 2.215 15.662 7.307 1.00 73.24 H new ATOM 0 HG2 LYS A 71 4.171 17.320 6.862 1.00 52.02 H new ATOM 0 HG3 LYS A 71 3.464 17.516 5.270 1.00 52.02 H new ATOM 0 HD2 LYS A 71 1.980 18.978 6.120 1.00 52.54 H new ATOM 0 HD3 LYS A 71 1.302 17.701 7.111 1.00 52.54 H new ATOM 0 HE2 LYS A 71 3.809 18.659 8.257 1.00 53.14 H new ATOM 0 HE3 LYS A 71 2.708 19.996 7.990 1.00 53.14 H new ATOM 0 HZ1 LYS A 71 1.483 19.354 9.705 1.00 4.43 H new ATOM 0 HZ2 LYS A 71 1.309 17.780 9.092 1.00 4.43 H new ATOM 0 HZ3 LYS A 71 2.648 18.171 10.061 1.00 4.43 H new ATOM 1132 N ALA A 72 2.625 12.659 6.047 1.00 44.42 N ATOM 1133 CA ALA A 72 2.068 11.488 5.382 1.00 12.35 C ATOM 1134 C ALA A 72 0.873 11.867 4.513 1.00 44.22 C ATOM 1135 O ALA A 72 0.069 12.731 4.863 1.00 2.42 O ATOM 1136 CB ALA A 72 1.665 10.440 6.409 1.00 54.53 C ATOM 0 H ALA A 72 2.457 12.693 7.052 1.00 44.42 H new ATOM 0 HA ALA A 72 2.837 11.068 4.734 1.00 12.35 H new ATOM 0 HB1 ALA A 72 1.251 9.571 5.898 1.00 54.53 H new ATOM 0 HB2 ALA A 72 2.540 10.139 6.985 1.00 54.53 H new ATOM 0 HB3 ALA A 72 0.915 10.858 7.080 1.00 54.53 H new ATOM 1142 N PRO A 73 0.753 11.209 3.351 1.00 63.34 N ATOM 1143 CA PRO A 73 -0.341 11.459 2.407 1.00 2.14 C ATOM 1144 C PRO A 73 -1.685 10.972 2.936 1.00 61.10 C ATOM 1145 O PRO A 73 -2.730 11.541 2.619 1.00 73.52 O ATOM 1146 CB PRO A 73 0.069 10.659 1.169 1.00 14.20 C ATOM 1147 CG PRO A 73 0.950 9.578 1.691 1.00 73.44 C ATOM 1148 CD PRO A 73 1.675 10.166 2.869 1.00 72.02 C ATOM 0 HA PRO A 73 -0.480 12.523 2.216 1.00 2.14 H new ATOM 0 HB2 PRO A 73 -0.801 10.248 0.657 1.00 14.20 H new ATOM 0 HB3 PRO A 73 0.595 11.286 0.449 1.00 14.20 H new ATOM 0 HG2 PRO A 73 0.365 8.707 1.988 1.00 73.44 H new ATOM 0 HG3 PRO A 73 1.653 9.245 0.927 1.00 73.44 H new ATOM 0 HD2 PRO A 73 1.870 9.416 3.636 1.00 72.02 H new ATOM 0 HD3 PRO A 73 2.639 10.584 2.580 1.00 72.02 H new ATOM 1156 N PHE A 74 -1.651 9.917 3.744 1.00 52.21 N ATOM 1157 CA PHE A 74 -2.869 9.354 4.316 1.00 62.11 C ATOM 1158 C PHE A 74 -2.539 8.389 5.452 1.00 2.22 C ATOM 1159 O PHE A 74 -1.514 7.708 5.425 1.00 43.22 O ATOM 1160 CB PHE A 74 -3.678 8.631 3.237 1.00 52.55 C ATOM 1161 CG PHE A 74 -2.840 8.123 2.099 1.00 45.21 C ATOM 1162 CD1 PHE A 74 -1.851 7.177 2.317 1.00 73.40 C ATOM 1163 CD2 PHE A 74 -3.041 8.592 0.810 1.00 63.41 C ATOM 1164 CE1 PHE A 74 -1.079 6.709 1.272 1.00 63.15 C ATOM 1165 CE2 PHE A 74 -2.271 8.126 -0.239 1.00 40.51 C ATOM 1166 CZ PHE A 74 -1.289 7.183 -0.009 1.00 24.31 C ATOM 0 H PHE A 74 -0.794 9.435 4.017 1.00 52.21 H new ATOM 0 HA PHE A 74 -3.465 10.173 4.719 1.00 62.11 H new ATOM 0 HB2 PHE A 74 -4.206 7.793 3.691 1.00 52.55 H new ATOM 0 HB3 PHE A 74 -4.435 9.310 2.845 1.00 52.55 H new ATOM 0 HD1 PHE A 74 -1.682 6.802 3.315 1.00 73.40 H new ATOM 0 HD2 PHE A 74 -3.808 9.330 0.623 1.00 63.41 H new ATOM 0 HE1 PHE A 74 -0.311 5.972 1.456 1.00 63.15 H new ATOM 0 HE2 PHE A 74 -2.437 8.499 -1.239 1.00 40.51 H new ATOM 0 HZ PHE A 74 -0.687 6.817 -0.828 1.00 24.31 H new ATOM 1176 N ASP A 75 -3.416 8.337 6.449 1.00 41.44 N ATOM 1177 CA ASP A 75 -3.220 7.457 7.594 1.00 33.03 C ATOM 1178 C ASP A 75 -2.792 6.064 7.142 1.00 41.10 C ATOM 1179 O ASP A 75 -3.286 5.546 6.141 1.00 3.05 O ATOM 1180 CB ASP A 75 -4.504 7.366 8.420 1.00 20.13 C ATOM 1181 CG ASP A 75 -4.473 6.223 9.415 1.00 70.53 C ATOM 1182 OD1 ASP A 75 -4.783 5.080 9.016 1.00 12.52 O ATOM 1183 OD2 ASP A 75 -4.137 6.469 10.592 1.00 32.33 O ATOM 0 H ASP A 75 -4.269 8.894 6.487 1.00 41.44 H new ATOM 0 HA ASP A 75 -2.428 7.878 8.213 1.00 33.03 H new ATOM 0 HB2 ASP A 75 -4.656 8.304 8.954 1.00 20.13 H new ATOM 0 HB3 ASP A 75 -5.355 7.238 7.751 1.00 20.13 H new ATOM 1188 N GLY A 76 -1.868 5.463 7.887 1.00 55.00 N ATOM 1189 CA GLY A 76 -1.389 4.137 7.546 1.00 52.24 C ATOM 1190 C GLY A 76 -0.340 3.632 8.517 1.00 64.03 C ATOM 1191 O GLY A 76 -0.454 3.833 9.726 1.00 44.23 O ATOM 0 H GLY A 76 -1.444 5.871 8.720 1.00 55.00 H new ATOM 0 HA2 GLY A 76 -2.230 3.443 7.531 1.00 52.24 H new ATOM 0 HA3 GLY A 76 -0.971 4.153 6.540 1.00 52.24 H new ATOM 1195 N THR A 77 0.686 2.973 7.988 1.00 71.24 N ATOM 1196 CA THR A 77 1.759 2.435 8.815 1.00 15.33 C ATOM 1197 C THR A 77 3.121 2.916 8.330 1.00 20.34 C ATOM 1198 O THR A 77 3.284 3.276 7.163 1.00 31.34 O ATOM 1199 CB THR A 77 1.743 0.895 8.824 1.00 2.02 C ATOM 1200 OG1 THR A 77 0.410 0.419 9.040 1.00 14.11 O ATOM 1201 CG2 THR A 77 2.662 0.351 9.908 1.00 34.30 C ATOM 0 H THR A 77 0.797 2.799 6.989 1.00 71.24 H new ATOM 0 HA THR A 77 1.589 2.798 9.829 1.00 15.33 H new ATOM 0 HB THR A 77 2.101 0.545 7.856 1.00 2.02 H new ATOM 0 HG1 THR A 77 0.409 -0.561 9.042 1.00 14.11 H new ATOM 0 HG21 THR A 77 2.634 -0.739 9.895 1.00 34.30 H new ATOM 0 HG22 THR A 77 3.681 0.690 9.725 1.00 34.30 H new ATOM 0 HG23 THR A 77 2.329 0.711 10.882 1.00 34.30 H new ATOM 1209 N ILE A 78 4.098 2.919 9.232 1.00 70.44 N ATOM 1210 CA ILE A 78 5.448 3.352 8.893 1.00 14.22 C ATOM 1211 C ILE A 78 6.452 2.220 9.076 1.00 55.22 C ATOM 1212 O ILE A 78 6.436 1.519 10.087 1.00 23.34 O ATOM 1213 CB ILE A 78 5.884 4.554 9.753 1.00 52.22 C ATOM 1214 CG1 ILE A 78 7.356 4.883 9.498 1.00 12.22 C ATOM 1215 CG2 ILE A 78 5.647 4.264 11.228 1.00 45.44 C ATOM 1216 CD1 ILE A 78 7.620 6.360 9.308 1.00 51.00 C ATOM 0 H ILE A 78 3.979 2.627 10.202 1.00 70.44 H new ATOM 0 HA ILE A 78 5.430 3.651 7.845 1.00 14.22 H new ATOM 0 HB ILE A 78 5.284 5.420 9.473 1.00 52.22 H new ATOM 0 HG12 ILE A 78 7.952 4.520 10.336 1.00 12.22 H new ATOM 0 HG13 ILE A 78 7.692 4.345 8.612 1.00 12.22 H new ATOM 0 HG21 ILE A 78 5.960 5.122 11.822 1.00 45.44 H new ATOM 0 HG22 ILE A 78 4.587 4.074 11.396 1.00 45.44 H new ATOM 0 HG23 ILE A 78 6.224 3.388 11.524 1.00 45.44 H new ATOM 0 HD11 ILE A 78 8.684 6.520 9.132 1.00 51.00 H new ATOM 0 HD12 ILE A 78 7.052 6.724 8.452 1.00 51.00 H new ATOM 0 HD13 ILE A 78 7.315 6.902 10.203 1.00 51.00 H new ATOM 1228 N GLY A 79 7.326 2.048 8.090 1.00 65.14 N ATOM 1229 CA GLY A 79 8.328 0.999 8.162 1.00 44.21 C ATOM 1230 C GLY A 79 9.615 1.470 8.812 1.00 74.25 C ATOM 1231 O GLY A 79 10.701 1.015 8.453 1.00 62.41 O ATOM 0 H GLY A 79 7.359 2.615 7.243 1.00 65.14 H new ATOM 0 HA2 GLY A 79 7.927 0.156 8.725 1.00 44.21 H new ATOM 0 HA3 GLY A 79 8.544 0.637 7.157 1.00 44.21 H new ATOM 1235 N ASP A 80 9.493 2.384 9.767 1.00 55.20 N ATOM 1236 CA ASP A 80 10.655 2.917 10.467 1.00 14.51 C ATOM 1237 C ASP A 80 11.589 3.638 9.500 1.00 1.31 C ATOM 1238 O ASP A 80 11.494 3.465 8.285 1.00 3.43 O ATOM 1239 CB ASP A 80 11.408 1.794 11.180 1.00 24.31 C ATOM 1240 CG ASP A 80 12.497 2.316 12.096 1.00 72.02 C ATOM 1241 OD1 ASP A 80 12.276 3.359 12.747 1.00 24.55 O ATOM 1242 OD2 ASP A 80 13.571 1.682 12.162 1.00 74.21 O ATOM 0 H ASP A 80 8.601 2.772 10.074 1.00 55.20 H new ATOM 0 HA ASP A 80 10.303 3.635 11.208 1.00 14.51 H new ATOM 0 HB2 ASP A 80 10.703 1.200 11.761 1.00 24.31 H new ATOM 0 HB3 ASP A 80 11.850 1.129 10.438 1.00 24.31 H new ATOM 1247 N ALA A 81 12.490 4.448 10.047 1.00 64.34 N ATOM 1248 CA ALA A 81 13.442 5.194 9.233 1.00 71.33 C ATOM 1249 C ALA A 81 14.580 4.296 8.758 1.00 34.03 C ATOM 1250 O ALA A 81 14.841 3.245 9.345 1.00 45.44 O ATOM 1251 CB ALA A 81 13.991 6.377 10.016 1.00 43.14 C ATOM 0 H ALA A 81 12.580 4.604 11.051 1.00 64.34 H new ATOM 0 HA ALA A 81 12.918 5.567 8.353 1.00 71.33 H new ATOM 0 HB1 ALA A 81 14.701 6.925 9.397 1.00 43.14 H new ATOM 0 HB2 ALA A 81 13.171 7.037 10.300 1.00 43.14 H new ATOM 0 HB3 ALA A 81 14.495 6.017 10.913 1.00 43.14 H new ATOM 1257 N LEU A 82 15.253 4.716 7.693 1.00 12.31 N ATOM 1258 CA LEU A 82 16.364 3.950 7.139 1.00 73.22 C ATOM 1259 C LEU A 82 17.626 4.802 7.056 1.00 11.52 C ATOM 1260 O LEU A 82 18.742 4.284 7.095 1.00 22.34 O ATOM 1261 CB LEU A 82 16.001 3.421 5.750 1.00 33.23 C ATOM 1262 CG LEU A 82 16.583 4.191 4.565 1.00 12.20 C ATOM 1263 CD1 LEU A 82 17.998 3.720 4.265 1.00 73.50 C ATOM 1264 CD2 LEU A 82 15.696 4.032 3.338 1.00 11.44 C ATOM 0 H LEU A 82 15.049 5.583 7.196 1.00 12.31 H new ATOM 0 HA LEU A 82 16.559 3.108 7.803 1.00 73.22 H new ATOM 0 HB2 LEU A 82 16.330 2.384 5.681 1.00 33.23 H new ATOM 0 HB3 LEU A 82 14.915 3.417 5.657 1.00 33.23 H new ATOM 0 HG LEU A 82 16.621 5.248 4.827 1.00 12.20 H new ATOM 0 HD11 LEU A 82 18.396 4.279 3.418 1.00 73.50 H new ATOM 0 HD12 LEU A 82 18.629 3.885 5.138 1.00 73.50 H new ATOM 0 HD13 LEU A 82 17.984 2.657 4.023 1.00 73.50 H new ATOM 0 HD21 LEU A 82 16.126 4.587 2.504 1.00 11.44 H new ATOM 0 HD22 LEU A 82 15.626 2.977 3.074 1.00 11.44 H new ATOM 0 HD23 LEU A 82 14.700 4.418 3.556 1.00 11.44 H new ATOM 1276 N VAL A 83 17.442 6.114 6.944 1.00 54.23 N ATOM 1277 CA VAL A 83 18.565 7.039 6.859 1.00 23.01 C ATOM 1278 C VAL A 83 18.801 7.740 8.192 1.00 13.44 C ATOM 1279 O VAL A 83 18.145 7.439 9.188 1.00 31.21 O ATOM 1280 CB VAL A 83 18.337 8.100 5.766 1.00 4.32 C ATOM 1281 CG1 VAL A 83 18.008 7.437 4.438 1.00 44.23 C ATOM 1282 CG2 VAL A 83 17.233 9.062 6.180 1.00 62.31 C ATOM 0 H VAL A 83 16.525 6.560 6.910 1.00 54.23 H new ATOM 0 HA VAL A 83 19.444 6.448 6.602 1.00 23.01 H new ATOM 0 HB VAL A 83 19.257 8.671 5.641 1.00 4.32 H new ATOM 0 HG11 VAL A 83 17.850 8.203 3.678 1.00 44.23 H new ATOM 0 HG12 VAL A 83 18.835 6.793 4.138 1.00 44.23 H new ATOM 0 HG13 VAL A 83 17.103 6.839 4.544 1.00 44.23 H new ATOM 0 HG21 VAL A 83 17.085 9.805 5.396 1.00 62.31 H new ATOM 0 HG22 VAL A 83 16.307 8.508 6.335 1.00 62.31 H new ATOM 0 HG23 VAL A 83 17.515 9.563 7.106 1.00 62.31 H new ATOM 1292 N ASN A 84 19.743 8.679 8.203 1.00 60.34 N ATOM 1293 CA ASN A 84 20.065 9.423 9.414 1.00 2.40 C ATOM 1294 C ASN A 84 19.740 10.905 9.245 1.00 61.31 C ATOM 1295 O ASN A 84 19.520 11.378 8.130 1.00 14.54 O ATOM 1296 CB ASN A 84 21.545 9.252 9.765 1.00 54.24 C ATOM 1297 CG ASN A 84 21.944 7.794 9.890 1.00 10.30 C ATOM 1298 OD1 ASN A 84 21.528 7.104 10.819 1.00 72.41 O ATOM 1299 ND2 ASN A 84 22.756 7.320 8.952 1.00 12.42 N ATOM 0 H ASN A 84 20.296 8.942 7.387 1.00 60.34 H new ATOM 0 HA ASN A 84 19.457 9.025 10.227 1.00 2.40 H new ATOM 0 HB2 ASN A 84 22.155 9.729 8.998 1.00 54.24 H new ATOM 0 HB3 ASN A 84 21.755 9.765 10.703 1.00 54.24 H new ATOM 0 HD21 ASN A 84 23.059 6.347 8.984 1.00 12.42 H new ATOM 0 HD22 ASN A 84 23.076 7.929 8.199 1.00 12.42 H new ATOM 1306 N ILE A 85 19.712 11.629 10.358 1.00 1.43 N ATOM 1307 CA ILE A 85 19.415 13.057 10.333 1.00 75.04 C ATOM 1308 C ILE A 85 20.660 13.870 9.997 1.00 12.32 C ATOM 1309 O ILE A 85 21.781 13.466 10.302 1.00 12.25 O ATOM 1310 CB ILE A 85 18.849 13.538 11.682 1.00 51.34 C ATOM 1311 CG1 ILE A 85 17.541 12.810 12.000 1.00 14.31 C ATOM 1312 CG2 ILE A 85 18.633 15.044 11.658 1.00 25.15 C ATOM 1313 CD1 ILE A 85 16.932 13.215 13.324 1.00 62.42 C ATOM 0 H ILE A 85 19.891 11.251 11.288 1.00 1.43 H new ATOM 0 HA ILE A 85 18.664 13.210 9.559 1.00 75.04 H new ATOM 0 HB ILE A 85 19.570 13.307 12.466 1.00 51.34 H new ATOM 0 HG12 ILE A 85 16.823 13.005 11.204 1.00 14.31 H new ATOM 0 HG13 ILE A 85 17.725 11.736 12.007 1.00 14.31 H new ATOM 0 HG21 ILE A 85 18.233 15.369 12.618 1.00 25.15 H new ATOM 0 HG22 ILE A 85 19.583 15.545 11.472 1.00 25.15 H new ATOM 0 HG23 ILE A 85 17.928 15.298 10.866 1.00 25.15 H new ATOM 0 HD11 ILE A 85 16.008 12.660 13.484 1.00 62.42 H new ATOM 0 HD12 ILE A 85 17.632 12.994 14.129 1.00 62.42 H new ATOM 0 HD13 ILE A 85 16.716 14.283 13.314 1.00 62.42 H new ATOM 1325 N GLY A 86 20.454 15.024 9.366 1.00 22.12 N ATOM 1326 CA GLY A 86 21.568 15.879 9.001 1.00 71.20 C ATOM 1327 C GLY A 86 22.264 15.414 7.737 1.00 41.52 C ATOM 1328 O GLY A 86 23.386 15.831 7.449 1.00 53.52 O ATOM 0 H GLY A 86 19.536 15.381 9.102 1.00 22.12 H new ATOM 0 HA2 GLY A 86 21.209 16.899 8.861 1.00 71.20 H new ATOM 0 HA3 GLY A 86 22.287 15.904 9.820 1.00 71.20 H new ATOM 1332 N ASP A 87 21.599 14.548 6.981 1.00 33.21 N ATOM 1333 CA ASP A 87 22.161 14.026 5.741 1.00 23.41 C ATOM 1334 C ASP A 87 21.361 14.510 4.536 1.00 43.05 C ATOM 1335 O ASP A 87 20.130 14.511 4.555 1.00 0.34 O ATOM 1336 CB ASP A 87 22.185 12.497 5.771 1.00 64.13 C ATOM 1337 CG ASP A 87 23.583 11.937 5.597 1.00 60.42 C ATOM 1338 OD1 ASP A 87 24.291 11.780 6.615 1.00 71.03 O ATOM 1339 OD2 ASP A 87 23.970 11.654 4.444 1.00 70.31 O ATOM 0 H ASP A 87 20.670 14.192 7.205 1.00 33.21 H new ATOM 0 HA ASP A 87 23.182 14.396 5.650 1.00 23.41 H new ATOM 0 HB2 ASP A 87 21.772 12.148 6.718 1.00 64.13 H new ATOM 0 HB3 ASP A 87 21.541 12.111 4.981 1.00 64.13 H new ATOM 1344 N TYR A 88 22.068 14.921 3.489 1.00 10.55 N ATOM 1345 CA TYR A 88 21.425 15.412 2.277 1.00 15.23 C ATOM 1346 C TYR A 88 20.613 14.308 1.606 1.00 13.44 C ATOM 1347 O TYR A 88 20.998 13.139 1.626 1.00 35.41 O ATOM 1348 CB TYR A 88 22.472 15.955 1.302 1.00 73.41 C ATOM 1349 CG TYR A 88 21.881 16.504 0.024 1.00 54.43 C ATOM 1350 CD1 TYR A 88 21.531 15.660 -1.023 1.00 51.53 C ATOM 1351 CD2 TYR A 88 21.672 17.869 -0.137 1.00 1.21 C ATOM 1352 CE1 TYR A 88 20.992 16.159 -2.193 1.00 10.20 C ATOM 1353 CE2 TYR A 88 21.132 18.377 -1.303 1.00 31.12 C ATOM 1354 CZ TYR A 88 20.794 17.518 -2.328 1.00 52.03 C ATOM 1355 OH TYR A 88 20.256 18.019 -3.492 1.00 21.02 O ATOM 0 H TYR A 88 23.087 14.924 3.456 1.00 10.55 H new ATOM 0 HA TYR A 88 20.747 16.218 2.557 1.00 15.23 H new ATOM 0 HB2 TYR A 88 23.043 16.741 1.796 1.00 73.41 H new ATOM 0 HB3 TYR A 88 23.174 15.159 1.055 1.00 73.41 H new ATOM 0 HD1 TYR A 88 21.683 14.596 -0.920 1.00 51.53 H new ATOM 0 HD2 TYR A 88 21.936 18.544 0.663 1.00 1.21 H new ATOM 0 HE1 TYR A 88 20.727 15.489 -2.998 1.00 10.20 H new ATOM 0 HE2 TYR A 88 20.976 19.440 -1.411 1.00 31.12 H new ATOM 0 HH TYR A 88 20.181 18.994 -3.425 1.00 21.02 H new ATOM 1365 N VAL A 89 19.486 14.689 1.012 1.00 22.30 N ATOM 1366 CA VAL A 89 18.618 13.733 0.333 1.00 25.33 C ATOM 1367 C VAL A 89 17.923 14.375 -0.862 1.00 22.55 C ATOM 1368 O VAL A 89 17.799 15.597 -0.937 1.00 74.05 O ATOM 1369 CB VAL A 89 17.553 13.164 1.290 1.00 1.33 C ATOM 1370 CG1 VAL A 89 18.137 12.043 2.136 1.00 43.14 C ATOM 1371 CG2 VAL A 89 16.986 14.267 2.171 1.00 31.03 C ATOM 0 H VAL A 89 19.153 15.653 0.987 1.00 22.30 H new ATOM 0 HA VAL A 89 19.254 12.919 -0.015 1.00 25.33 H new ATOM 0 HB VAL A 89 16.739 12.750 0.694 1.00 1.33 H new ATOM 0 HG11 VAL A 89 17.369 11.654 2.805 1.00 43.14 H new ATOM 0 HG12 VAL A 89 18.490 11.243 1.486 1.00 43.14 H new ATOM 0 HG13 VAL A 89 18.970 12.427 2.724 1.00 43.14 H new ATOM 0 HG21 VAL A 89 16.235 13.848 2.841 1.00 31.03 H new ATOM 0 HG22 VAL A 89 17.789 14.712 2.759 1.00 31.03 H new ATOM 0 HG23 VAL A 89 16.527 15.033 1.545 1.00 31.03 H new ATOM 1381 N SER A 90 17.469 13.542 -1.792 1.00 65.22 N ATOM 1382 CA SER A 90 16.788 14.028 -2.986 1.00 52.32 C ATOM 1383 C SER A 90 15.330 14.361 -2.682 1.00 50.30 C ATOM 1384 O SER A 90 14.900 14.321 -1.531 1.00 23.24 O ATOM 1385 CB SER A 90 16.862 12.984 -4.102 1.00 51.21 C ATOM 1386 OG SER A 90 18.059 13.119 -4.848 1.00 43.45 O ATOM 0 H SER A 90 17.560 12.527 -1.742 1.00 65.22 H new ATOM 0 HA SER A 90 17.290 14.938 -3.315 1.00 52.32 H new ATOM 0 HB2 SER A 90 16.808 11.984 -3.673 1.00 51.21 H new ATOM 0 HB3 SER A 90 16.003 13.093 -4.764 1.00 51.21 H new ATOM 0 HG SER A 90 18.083 12.439 -5.554 1.00 43.45 H new ATOM 1392 N ALA A 91 14.576 14.691 -3.726 1.00 22.42 N ATOM 1393 CA ALA A 91 13.167 15.030 -3.572 1.00 73.31 C ATOM 1394 C ALA A 91 12.322 13.778 -3.357 1.00 13.44 C ATOM 1395 O ALA A 91 12.053 13.387 -2.221 1.00 61.24 O ATOM 1396 CB ALA A 91 12.673 15.799 -4.788 1.00 14.34 C ATOM 0 H ALA A 91 14.917 14.731 -4.686 1.00 22.42 H new ATOM 0 HA ALA A 91 13.065 15.662 -2.690 1.00 73.31 H new ATOM 0 HB1 ALA A 91 11.619 16.046 -4.659 1.00 14.34 H new ATOM 0 HB2 ALA A 91 13.250 16.717 -4.897 1.00 14.34 H new ATOM 0 HB3 ALA A 91 12.796 15.186 -5.681 1.00 14.34 H new ATOM 1402 N SER A 92 11.904 13.155 -4.455 1.00 44.43 N ATOM 1403 CA SER A 92 11.086 11.951 -4.386 1.00 54.03 C ATOM 1404 C SER A 92 11.944 10.700 -4.544 1.00 44.24 C ATOM 1405 O SER A 92 11.443 9.576 -4.498 1.00 14.40 O ATOM 1406 CB SER A 92 10.005 11.981 -5.468 1.00 33.12 C ATOM 1407 OG SER A 92 9.398 10.709 -5.619 1.00 43.45 O ATOM 0 H SER A 92 12.119 13.465 -5.403 1.00 44.43 H new ATOM 0 HA SER A 92 10.610 11.922 -3.406 1.00 54.03 H new ATOM 0 HB2 SER A 92 9.247 12.720 -5.209 1.00 33.12 H new ATOM 0 HB3 SER A 92 10.444 12.293 -6.416 1.00 33.12 H new ATOM 0 HG SER A 92 9.776 10.086 -4.963 1.00 43.45 H new ATOM 1413 N THR A 93 13.245 10.904 -4.732 1.00 63.43 N ATOM 1414 CA THR A 93 14.176 9.794 -4.899 1.00 4.13 C ATOM 1415 C THR A 93 14.636 9.255 -3.549 1.00 21.21 C ATOM 1416 O THR A 93 15.062 8.104 -3.440 1.00 73.24 O ATOM 1417 CB THR A 93 15.410 10.214 -5.718 1.00 60.12 C ATOM 1418 OG1 THR A 93 15.044 11.210 -6.680 1.00 73.02 O ATOM 1419 CG2 THR A 93 16.021 9.016 -6.429 1.00 52.05 C ATOM 0 H THR A 93 13.677 11.827 -4.772 1.00 63.43 H new ATOM 0 HA THR A 93 13.641 9.011 -5.437 1.00 4.13 H new ATOM 0 HB THR A 93 16.150 10.626 -5.032 1.00 60.12 H new ATOM 0 HG1 THR A 93 15.835 11.473 -7.196 1.00 73.02 H new ATOM 0 HG21 THR A 93 16.891 9.337 -7.001 1.00 52.05 H new ATOM 0 HG22 THR A 93 16.325 8.272 -5.693 1.00 52.05 H new ATOM 0 HG23 THR A 93 15.285 8.579 -7.103 1.00 52.05 H new ATOM 1427 N THR A 94 14.547 10.092 -2.520 1.00 53.21 N ATOM 1428 CA THR A 94 14.955 9.700 -1.178 1.00 13.11 C ATOM 1429 C THR A 94 13.816 9.008 -0.437 1.00 52.42 C ATOM 1430 O THR A 94 12.845 9.650 -0.036 1.00 53.42 O ATOM 1431 CB THR A 94 15.424 10.915 -0.355 1.00 60.12 C ATOM 1432 OG1 THR A 94 15.912 10.484 0.921 1.00 53.44 O ATOM 1433 CG2 THR A 94 14.287 11.908 -0.161 1.00 22.54 C ATOM 0 H THR A 94 14.195 11.047 -2.591 1.00 53.21 H new ATOM 0 HA THR A 94 15.787 9.005 -1.292 1.00 13.11 H new ATOM 0 HB THR A 94 16.227 11.409 -0.902 1.00 60.12 H new ATOM 0 HG1 THR A 94 16.757 10.002 0.802 1.00 53.44 H new ATOM 0 HG21 THR A 94 14.641 12.757 0.423 1.00 22.54 H new ATOM 0 HG22 THR A 94 13.938 12.256 -1.133 1.00 22.54 H new ATOM 0 HG23 THR A 94 13.466 11.423 0.367 1.00 22.54 H new ATOM 1441 N GLU A 95 13.942 7.698 -0.259 1.00 71.11 N ATOM 1442 CA GLU A 95 12.920 6.920 0.435 1.00 41.54 C ATOM 1443 C GLU A 95 13.355 6.602 1.862 1.00 61.40 C ATOM 1444 O GLU A 95 13.472 5.437 2.243 1.00 62.24 O ATOM 1445 CB GLU A 95 12.634 5.623 -0.325 1.00 23.41 C ATOM 1446 CG GLU A 95 13.887 4.886 -0.767 1.00 24.25 C ATOM 1447 CD GLU A 95 13.849 3.410 -0.419 1.00 64.05 C ATOM 1448 OE1 GLU A 95 12.816 2.763 -0.690 1.00 22.14 O ATOM 1449 OE2 GLU A 95 14.853 2.903 0.123 1.00 65.14 O ATOM 0 H GLU A 95 14.740 7.152 -0.585 1.00 71.11 H new ATOM 0 HA GLU A 95 12.009 7.517 0.477 1.00 41.54 H new ATOM 0 HB2 GLU A 95 12.040 4.964 0.309 1.00 23.41 H new ATOM 0 HB3 GLU A 95 12.029 5.852 -1.202 1.00 23.41 H new ATOM 0 HG2 GLU A 95 14.009 4.998 -1.844 1.00 24.25 H new ATOM 0 HG3 GLU A 95 14.758 5.344 -0.298 1.00 24.25 H new ATOM 1456 N LEU A 96 13.592 7.646 2.649 1.00 41.43 N ATOM 1457 CA LEU A 96 14.015 7.479 4.035 1.00 2.42 C ATOM 1458 C LEU A 96 13.041 6.585 4.796 1.00 4.22 C ATOM 1459 O LEU A 96 13.387 6.015 5.832 1.00 52.11 O ATOM 1460 CB LEU A 96 14.121 8.841 4.723 1.00 35.23 C ATOM 1461 CG LEU A 96 13.133 9.910 4.253 1.00 35.22 C ATOM 1462 CD1 LEU A 96 13.625 10.566 2.972 1.00 24.42 C ATOM 1463 CD2 LEU A 96 11.751 9.305 4.047 1.00 21.42 C ATOM 0 H LEU A 96 13.498 8.617 2.351 1.00 41.43 H new ATOM 0 HA LEU A 96 14.995 7.001 4.037 1.00 2.42 H new ATOM 0 HB2 LEU A 96 13.985 8.696 5.795 1.00 35.23 H new ATOM 0 HB3 LEU A 96 15.132 9.221 4.578 1.00 35.23 H new ATOM 0 HG LEU A 96 13.062 10.676 5.025 1.00 35.22 H new ATOM 0 HD11 LEU A 96 12.909 11.324 2.653 1.00 24.42 H new ATOM 0 HD12 LEU A 96 14.593 11.034 3.151 1.00 24.42 H new ATOM 0 HD13 LEU A 96 13.726 9.811 2.192 1.00 24.42 H new ATOM 0 HD21 LEU A 96 11.061 10.080 3.713 1.00 21.42 H new ATOM 0 HD22 LEU A 96 11.807 8.519 3.294 1.00 21.42 H new ATOM 0 HD23 LEU A 96 11.395 8.883 4.987 1.00 21.42 H new ATOM 1475 N VAL A 97 11.825 6.465 4.276 1.00 53.25 N ATOM 1476 CA VAL A 97 10.802 5.638 4.904 1.00 1.15 C ATOM 1477 C VAL A 97 9.596 5.464 3.989 1.00 10.42 C ATOM 1478 O VAL A 97 9.185 6.400 3.303 1.00 60.24 O ATOM 1479 CB VAL A 97 10.335 6.243 6.242 1.00 72.35 C ATOM 1480 CG1 VAL A 97 9.479 7.476 6.000 1.00 52.11 C ATOM 1481 CG2 VAL A 97 9.575 5.207 7.058 1.00 71.11 C ATOM 0 H VAL A 97 11.523 6.931 3.420 1.00 53.25 H new ATOM 0 HA VAL A 97 11.254 4.664 5.092 1.00 1.15 H new ATOM 0 HB VAL A 97 11.214 6.547 6.811 1.00 72.35 H new ATOM 0 HG11 VAL A 97 9.158 7.890 6.956 1.00 52.11 H new ATOM 0 HG12 VAL A 97 10.061 8.222 5.459 1.00 52.11 H new ATOM 0 HG13 VAL A 97 8.604 7.201 5.412 1.00 52.11 H new ATOM 0 HG21 VAL A 97 9.252 5.651 8.000 1.00 71.11 H new ATOM 0 HG22 VAL A 97 8.703 4.871 6.498 1.00 71.11 H new ATOM 0 HG23 VAL A 97 10.225 4.356 7.262 1.00 71.11 H new ATOM 1491 N ARG A 98 9.032 4.261 3.984 1.00 32.21 N ATOM 1492 CA ARG A 98 7.872 3.964 3.152 1.00 1.34 C ATOM 1493 C ARG A 98 6.653 3.643 4.012 1.00 21.23 C ATOM 1494 O ARG A 98 6.780 3.094 5.107 1.00 40.52 O ATOM 1495 CB ARG A 98 8.174 2.790 2.219 1.00 61.14 C ATOM 1496 CG ARG A 98 8.294 1.456 2.938 1.00 10.23 C ATOM 1497 CD ARG A 98 9.698 1.242 3.483 1.00 73.52 C ATOM 1498 NE ARG A 98 10.082 -0.167 3.465 1.00 4.20 N ATOM 1499 CZ ARG A 98 9.532 -1.089 4.247 1.00 30.13 C ATOM 1500 NH1 ARG A 98 8.577 -0.753 5.104 1.00 44.44 N ATOM 1501 NH2 ARG A 98 9.935 -2.351 4.173 1.00 63.15 N ATOM 0 H ARG A 98 9.359 3.476 4.547 1.00 32.21 H new ATOM 0 HA ARG A 98 7.650 4.848 2.554 1.00 1.34 H new ATOM 0 HB2 ARG A 98 7.385 2.720 1.470 1.00 61.14 H new ATOM 0 HB3 ARG A 98 9.103 2.991 1.686 1.00 61.14 H new ATOM 0 HG2 ARG A 98 7.575 1.416 3.756 1.00 10.23 H new ATOM 0 HG3 ARG A 98 8.041 0.647 2.252 1.00 10.23 H new ATOM 0 HD2 ARG A 98 10.409 1.819 2.891 1.00 73.52 H new ATOM 0 HD3 ARG A 98 9.752 1.620 4.504 1.00 73.52 H new ATOM 0 HE ARG A 98 10.813 -0.459 2.816 1.00 4.20 H new ATOM 0 HH11 ARG A 98 8.263 0.216 5.164 1.00 44.44 H new ATOM 0 HH12 ARG A 98 8.157 -1.463 5.703 1.00 44.44 H new ATOM 0 HH21 ARG A 98 10.668 -2.614 3.515 1.00 63.15 H new ATOM 0 HH22 ARG A 98 9.511 -3.058 4.774 1.00 63.15 H new ATOM 1515 N VAL A 99 5.472 3.991 3.510 1.00 62.03 N ATOM 1516 CA VAL A 99 4.231 3.740 4.232 1.00 23.31 C ATOM 1517 C VAL A 99 3.569 2.451 3.755 1.00 13.12 C ATOM 1518 O VAL A 99 3.526 2.168 2.557 1.00 0.32 O ATOM 1519 CB VAL A 99 3.239 4.906 4.065 1.00 33.43 C ATOM 1520 CG1 VAL A 99 2.773 5.008 2.620 1.00 2.32 C ATOM 1521 CG2 VAL A 99 2.054 4.736 5.004 1.00 65.32 C ATOM 0 H VAL A 99 5.349 4.448 2.606 1.00 62.03 H new ATOM 0 HA VAL A 99 4.492 3.643 5.286 1.00 23.31 H new ATOM 0 HB VAL A 99 3.749 5.834 4.324 1.00 33.43 H new ATOM 0 HG11 VAL A 99 2.073 5.837 2.521 1.00 2.32 H new ATOM 0 HG12 VAL A 99 3.632 5.180 1.972 1.00 2.32 H new ATOM 0 HG13 VAL A 99 2.280 4.080 2.330 1.00 2.32 H new ATOM 0 HG21 VAL A 99 1.363 5.569 4.873 1.00 65.32 H new ATOM 0 HG22 VAL A 99 1.542 3.801 4.778 1.00 65.32 H new ATOM 0 HG23 VAL A 99 2.407 4.717 6.035 1.00 65.32 H new ATOM 1531 N THR A 100 3.053 1.673 4.701 1.00 72.51 N ATOM 1532 CA THR A 100 2.393 0.414 4.378 1.00 21.02 C ATOM 1533 C THR A 100 0.991 0.360 4.974 1.00 75.24 C ATOM 1534 O THR A 100 0.613 1.214 5.774 1.00 35.21 O ATOM 1535 CB THR A 100 3.202 -0.792 4.891 1.00 23.02 C ATOM 1536 OG1 THR A 100 3.289 -0.753 6.320 1.00 11.33 O ATOM 1537 CG2 THR A 100 4.601 -0.799 4.294 1.00 40.52 C ATOM 0 H THR A 100 3.079 1.892 5.697 1.00 72.51 H new ATOM 0 HA THR A 100 2.326 0.362 3.291 1.00 21.02 H new ATOM 0 HB THR A 100 2.688 -1.702 4.583 1.00 23.02 H new ATOM 0 HG1 THR A 100 3.803 -1.524 6.638 1.00 11.33 H new ATOM 0 HG21 THR A 100 5.153 -1.660 4.671 1.00 40.52 H new ATOM 0 HG22 THR A 100 4.533 -0.859 3.208 1.00 40.52 H new ATOM 0 HG23 THR A 100 5.121 0.117 4.575 1.00 40.52 H new ATOM 1545 N ASN A 101 0.223 -0.650 4.577 1.00 72.33 N ATOM 1546 CA ASN A 101 -1.139 -0.816 5.072 1.00 13.31 C ATOM 1547 C ASN A 101 -2.024 0.346 4.629 1.00 42.21 C ATOM 1548 O ASN A 101 -2.278 1.275 5.397 1.00 51.20 O ATOM 1549 CB ASN A 101 -1.140 -0.919 6.598 1.00 40.03 C ATOM 1550 CG ASN A 101 -2.329 -1.701 7.124 1.00 41.55 C ATOM 1551 OD1 ASN A 101 -2.826 -2.614 6.464 1.00 43.31 O ATOM 1552 ND2 ASN A 101 -2.790 -1.344 8.317 1.00 52.02 N ATOM 0 H ASN A 101 0.521 -1.366 3.914 1.00 72.33 H new ATOM 0 HA ASN A 101 -1.542 -1.738 4.652 1.00 13.31 H new ATOM 0 HB2 ASN A 101 -0.218 -1.399 6.928 1.00 40.03 H new ATOM 0 HB3 ASN A 101 -1.149 0.083 7.027 1.00 40.03 H new ATOM 0 HD21 ASN A 101 -3.588 -1.833 8.723 1.00 52.02 H new ATOM 0 HD22 ASN A 101 -2.346 -0.581 8.828 1.00 52.02 H new ATOM 1559 N LEU A 102 -2.490 0.288 3.386 1.00 61.42 N ATOM 1560 CA LEU A 102 -3.347 1.334 2.841 1.00 40.53 C ATOM 1561 C LEU A 102 -4.315 0.763 1.809 1.00 23.41 C ATOM 1562 O LEU A 102 -5.519 0.688 2.049 1.00 34.15 O ATOM 1563 CB LEU A 102 -2.497 2.436 2.203 1.00 22.43 C ATOM 1564 CG LEU A 102 -2.641 3.830 2.812 1.00 33.24 C ATOM 1565 CD1 LEU A 102 -4.107 4.222 2.909 1.00 1.52 C ATOM 1566 CD2 LEU A 102 -1.980 3.886 4.182 1.00 74.51 C ATOM 0 H LEU A 102 -2.288 -0.473 2.737 1.00 61.42 H new ATOM 0 HA LEU A 102 -3.927 1.758 3.661 1.00 40.53 H new ATOM 0 HB2 LEU A 102 -1.450 2.141 2.264 1.00 22.43 H new ATOM 0 HB3 LEU A 102 -2.750 2.496 1.144 1.00 22.43 H new ATOM 0 HG LEU A 102 -2.138 4.543 2.159 1.00 33.24 H new ATOM 0 HD11 LEU A 102 -4.189 5.218 3.345 1.00 1.52 H new ATOM 0 HD12 LEU A 102 -4.550 4.224 1.913 1.00 1.52 H new ATOM 0 HD13 LEU A 102 -4.634 3.505 3.539 1.00 1.52 H new ATOM 0 HD21 LEU A 102 -2.093 4.886 4.600 1.00 74.51 H new ATOM 0 HD22 LEU A 102 -2.453 3.161 4.844 1.00 74.51 H new ATOM 0 HD23 LEU A 102 -0.920 3.651 4.084 1.00 74.51 H new ATOM 1578 N ASN A 103 -3.780 0.358 0.663 1.00 64.35 N ATOM 1579 CA ASN A 103 -4.596 -0.209 -0.404 1.00 73.43 C ATOM 1580 C ASN A 103 -4.328 -1.703 -0.560 1.00 3.35 C ATOM 1581 O ASN A 103 -3.258 -2.206 -0.216 1.00 1.03 O ATOM 1582 CB ASN A 103 -4.317 0.510 -1.726 1.00 42.32 C ATOM 1583 CG ASN A 103 -2.866 0.930 -1.861 1.00 24.51 C ATOM 1584 OD1 ASN A 103 -1.962 0.243 -1.383 1.00 34.41 O ATOM 1585 ND2 ASN A 103 -2.635 2.062 -2.514 1.00 11.03 N ATOM 0 H ASN A 103 -2.784 0.412 0.449 1.00 64.35 H new ATOM 0 HA ASN A 103 -5.644 -0.071 -0.137 1.00 73.43 H new ATOM 0 HB2 ASN A 103 -4.581 -0.146 -2.556 1.00 42.32 H new ATOM 0 HB3 ASN A 103 -4.956 1.390 -1.799 1.00 42.32 H new ATOM 0 HD21 ASN A 103 -1.678 2.394 -2.636 1.00 11.03 H new ATOM 0 HD22 ASN A 103 -3.414 2.600 -2.894 1.00 11.03 H new ATOM 1592 N PRO A 104 -5.323 -2.430 -1.089 1.00 65.34 N ATOM 1593 CA PRO A 104 -5.217 -3.878 -1.303 1.00 15.33 C ATOM 1594 C PRO A 104 -4.236 -4.229 -2.415 1.00 71.34 C ATOM 1595 O PRO A 104 -4.601 -4.261 -3.591 1.00 22.23 O ATOM 1596 CB PRO A 104 -6.641 -4.281 -1.698 1.00 63.21 C ATOM 1597 CG PRO A 104 -7.239 -3.045 -2.274 1.00 61.03 C ATOM 1598 CD PRO A 104 -6.625 -1.897 -1.521 1.00 72.20 C ATOM 0 HA PRO A 104 -4.841 -4.395 -0.420 1.00 15.33 H new ATOM 0 HB2 PRO A 104 -6.635 -5.094 -2.425 1.00 63.21 H new ATOM 0 HB3 PRO A 104 -7.208 -4.630 -0.835 1.00 63.21 H new ATOM 0 HG2 PRO A 104 -7.027 -2.970 -3.341 1.00 61.03 H new ATOM 0 HG3 PRO A 104 -8.323 -3.048 -2.164 1.00 61.03 H new ATOM 0 HD2 PRO A 104 -6.509 -1.017 -2.154 1.00 72.20 H new ATOM 0 HD3 PRO A 104 -7.239 -1.599 -0.671 1.00 72.20 H new ATOM 1606 N ILE A 105 -2.990 -4.493 -2.037 1.00 23.35 N ATOM 1607 CA ILE A 105 -1.957 -4.845 -3.002 1.00 41.32 C ATOM 1608 C ILE A 105 -1.856 -6.356 -3.175 1.00 22.45 C ATOM 1609 O ILE A 105 -0.983 -6.854 -3.885 1.00 62.45 O ATOM 1610 CB ILE A 105 -0.581 -4.296 -2.580 1.00 1.14 C ATOM 1611 CG1 ILE A 105 -0.707 -2.840 -2.123 1.00 62.35 C ATOM 1612 CG2 ILE A 105 0.411 -4.412 -3.727 1.00 1.22 C ATOM 1613 CD1 ILE A 105 -1.292 -1.926 -3.176 1.00 15.42 C ATOM 0 H ILE A 105 -2.672 -4.470 -1.068 1.00 23.35 H new ATOM 0 HA ILE A 105 -2.246 -4.392 -3.950 1.00 41.32 H new ATOM 0 HB ILE A 105 -0.211 -4.890 -1.744 1.00 1.14 H new ATOM 0 HG12 ILE A 105 -1.332 -2.800 -1.231 1.00 62.35 H new ATOM 0 HG13 ILE A 105 0.278 -2.470 -1.839 1.00 62.35 H new ATOM 0 HG21 ILE A 105 1.378 -4.020 -3.413 1.00 1.22 H new ATOM 0 HG22 ILE A 105 0.519 -5.459 -4.010 1.00 1.22 H new ATOM 0 HG23 ILE A 105 0.048 -3.840 -4.581 1.00 1.22 H new ATOM 0 HD11 ILE A 105 -1.352 -0.911 -2.784 1.00 15.42 H new ATOM 0 HD12 ILE A 105 -0.656 -1.936 -4.061 1.00 15.42 H new ATOM 0 HD13 ILE A 105 -2.291 -2.271 -3.443 1.00 15.42 H new ATOM 1625 N TYR A 106 -2.757 -7.081 -2.521 1.00 71.51 N ATOM 1626 CA TYR A 106 -2.770 -8.537 -2.601 1.00 75.41 C ATOM 1627 C TYR A 106 -1.640 -9.139 -1.771 1.00 21.20 C ATOM 1628 O TYR A 106 -1.881 -9.897 -0.833 1.00 64.41 O ATOM 1629 CB TYR A 106 -2.646 -8.990 -4.057 1.00 44.21 C ATOM 1630 CG TYR A 106 -3.454 -8.153 -5.023 1.00 5.14 C ATOM 1631 CD1 TYR A 106 -4.801 -7.902 -4.796 1.00 61.14 C ATOM 1632 CD2 TYR A 106 -2.868 -7.612 -6.161 1.00 3.44 C ATOM 1633 CE1 TYR A 106 -5.543 -7.138 -5.676 1.00 54.35 C ATOM 1634 CE2 TYR A 106 -3.602 -6.845 -7.046 1.00 2.14 C ATOM 1635 CZ TYR A 106 -4.939 -6.612 -6.800 1.00 1.54 C ATOM 1636 OH TYR A 106 -5.673 -5.849 -7.678 1.00 35.34 O ATOM 0 H TYR A 106 -3.488 -6.684 -1.930 1.00 71.51 H new ATOM 0 HA TYR A 106 -3.719 -8.889 -2.198 1.00 75.41 H new ATOM 0 HB2 TYR A 106 -1.597 -8.957 -4.351 1.00 44.21 H new ATOM 0 HB3 TYR A 106 -2.966 -10.029 -4.134 1.00 44.21 H new ATOM 0 HD1 TYR A 106 -5.276 -8.311 -3.917 1.00 61.14 H new ATOM 0 HD2 TYR A 106 -1.822 -7.794 -6.357 1.00 3.44 H new ATOM 0 HE1 TYR A 106 -6.590 -6.953 -5.485 1.00 54.35 H new ATOM 0 HE2 TYR A 106 -3.131 -6.430 -7.925 1.00 2.14 H new ATOM 0 HH TYR A 106 -5.098 -5.555 -8.415 1.00 35.34 H new ATOM 1646 N ALA A 107 -0.406 -8.793 -2.125 1.00 74.43 N ATOM 1647 CA ALA A 107 0.761 -9.296 -1.413 1.00 22.02 C ATOM 1648 C ALA A 107 0.790 -10.821 -1.412 1.00 14.14 C ATOM 1649 O ALA A 107 0.207 -11.462 -0.537 1.00 43.31 O ATOM 1650 CB ALA A 107 0.779 -8.766 0.014 1.00 54.13 C ATOM 0 H ALA A 107 -0.190 -8.167 -2.900 1.00 74.43 H new ATOM 0 HA ALA A 107 1.651 -8.942 -1.932 1.00 22.02 H new ATOM 0 HB1 ALA A 107 1.657 -9.150 0.534 1.00 54.13 H new ATOM 0 HB2 ALA A 107 0.815 -7.677 -0.003 1.00 54.13 H new ATOM 0 HB3 ALA A 107 -0.122 -9.091 0.534 1.00 54.13 H new ATOM 1656 N ASP A 108 1.469 -11.395 -2.399 1.00 24.11 N ATOM 1657 CA ASP A 108 1.574 -12.845 -2.512 1.00 31.52 C ATOM 1658 C ASP A 108 2.931 -13.250 -3.080 1.00 13.15 C ATOM 1659 O ASP A 108 3.084 -14.338 -3.634 1.00 2.20 O ATOM 1660 CB ASP A 108 0.453 -13.392 -3.397 1.00 40.43 C ATOM 1661 CG ASP A 108 -0.524 -14.257 -2.627 1.00 32.42 C ATOM 1662 OD1 ASP A 108 -0.994 -13.814 -1.557 1.00 74.42 O ATOM 1663 OD2 ASP A 108 -0.819 -15.378 -3.092 1.00 14.42 O ATOM 0 H ASP A 108 1.955 -10.878 -3.132 1.00 24.11 H new ATOM 0 HA ASP A 108 1.477 -13.270 -1.513 1.00 31.52 H new ATOM 0 HB2 ASP A 108 -0.084 -12.560 -3.853 1.00 40.43 H new ATOM 0 HB3 ASP A 108 0.887 -13.975 -4.209 1.00 40.43 H new ATOM 1668 N GLY A 109 3.913 -12.365 -2.940 1.00 45.00 N ATOM 1669 CA GLY A 109 5.244 -12.647 -3.445 1.00 22.30 C ATOM 1670 C GLY A 109 6.222 -11.524 -3.164 1.00 60.30 C ATOM 1671 O GLY A 109 5.938 -10.360 -3.447 1.00 50.44 O ATOM 0 H GLY A 109 3.811 -11.457 -2.486 1.00 45.00 H new ATOM 0 HA2 GLY A 109 5.613 -13.567 -2.993 1.00 22.30 H new ATOM 0 HA3 GLY A 109 5.192 -12.819 -4.520 1.00 22.30 H new ATOM 1675 N SER A 110 7.376 -11.872 -2.603 1.00 13.43 N ATOM 1676 CA SER A 110 8.396 -10.882 -2.277 1.00 61.41 C ATOM 1677 C SER A 110 9.445 -10.801 -3.382 1.00 55.42 C ATOM 1678 O SER A 110 9.970 -9.728 -3.678 1.00 12.53 O ATOM 1679 CB SER A 110 9.067 -11.229 -0.947 1.00 65.52 C ATOM 1680 OG SER A 110 9.535 -10.063 -0.293 1.00 24.14 O ATOM 0 H SER A 110 7.628 -12.831 -2.365 1.00 13.43 H new ATOM 0 HA SER A 110 7.910 -9.911 -2.188 1.00 61.41 H new ATOM 0 HB2 SER A 110 8.358 -11.751 -0.304 1.00 65.52 H new ATOM 0 HB3 SER A 110 9.900 -11.910 -1.123 1.00 65.52 H new ATOM 0 HG SER A 110 9.958 -10.311 0.555 1.00 24.14 H new ATOM 1686 N HIS A 111 9.746 -11.944 -3.990 1.00 34.40 N ATOM 1687 CA HIS A 111 10.731 -12.004 -5.064 1.00 12.14 C ATOM 1688 C HIS A 111 10.419 -10.972 -6.145 1.00 24.50 C ATOM 1689 O HIS A 111 9.255 -10.681 -6.422 1.00 43.54 O ATOM 1690 CB HIS A 111 10.767 -13.404 -5.675 1.00 65.42 C ATOM 1691 CG HIS A 111 12.027 -14.157 -5.373 1.00 12.31 C ATOM 1692 ND1 HIS A 111 13.156 -14.081 -6.162 1.00 33.14 N ATOM 1693 CD2 HIS A 111 12.334 -15.001 -4.362 1.00 34.54 C ATOM 1694 CE1 HIS A 111 14.101 -14.848 -5.648 1.00 55.25 C ATOM 1695 NE2 HIS A 111 13.627 -15.418 -4.555 1.00 2.31 N ATOM 0 H HIS A 111 9.322 -12.842 -3.757 1.00 34.40 H new ATOM 0 HA HIS A 111 11.709 -11.777 -4.640 1.00 12.14 H new ATOM 0 HB2 HIS A 111 9.915 -13.975 -5.306 1.00 65.42 H new ATOM 0 HB3 HIS A 111 10.652 -13.323 -6.756 1.00 65.42 H new ATOM 0 HD2 HIS A 111 11.682 -15.293 -3.552 1.00 34.54 H new ATOM 0 HE1 HIS A 111 15.093 -14.986 -6.053 1.00 55.25 H new ATOM 0 HE2 HIS A 111 14.139 -16.063 -3.953 1.00 2.31 H new ATOM 1703 N HIS A 112 11.466 -10.423 -6.751 1.00 64.44 N ATOM 1704 CA HIS A 112 11.305 -9.425 -7.802 1.00 14.21 C ATOM 1705 C HIS A 112 12.592 -9.268 -8.606 1.00 4.23 C ATOM 1706 O HIS A 112 13.571 -9.978 -8.375 1.00 23.04 O ATOM 1707 CB HIS A 112 10.900 -8.080 -7.198 1.00 41.21 C ATOM 1708 CG HIS A 112 11.972 -7.453 -6.360 1.00 31.10 C ATOM 1709 ND1 HIS A 112 12.638 -6.303 -6.727 1.00 21.21 N ATOM 1710 CD2 HIS A 112 12.490 -7.822 -5.164 1.00 53.53 C ATOM 1711 CE1 HIS A 112 13.522 -5.992 -5.795 1.00 2.13 C ATOM 1712 NE2 HIS A 112 13.452 -6.898 -4.835 1.00 53.34 N ATOM 0 H HIS A 112 12.436 -10.652 -6.532 1.00 64.44 H new ATOM 0 HA HIS A 112 10.518 -9.766 -8.475 1.00 14.21 H new ATOM 0 HB2 HIS A 112 10.632 -7.395 -8.003 1.00 41.21 H new ATOM 0 HB3 HIS A 112 10.008 -8.219 -6.588 1.00 41.21 H new ATOM 0 HD2 HIS A 112 12.201 -8.682 -4.578 1.00 53.53 H new ATOM 0 HE1 HIS A 112 14.188 -5.142 -5.814 1.00 2.13 H new ATOM 0 HE2 HIS A 112 14.020 -6.909 -3.988 1.00 53.34 H new ATOM 1720 N HIS A 113 12.584 -8.334 -9.552 1.00 54.12 N ATOM 1721 CA HIS A 113 13.751 -8.084 -10.391 1.00 74.54 C ATOM 1722 C HIS A 113 14.824 -7.325 -9.617 1.00 30.52 C ATOM 1723 O HIS A 113 14.716 -7.144 -8.403 1.00 45.03 O ATOM 1724 CB HIS A 113 13.350 -7.296 -11.637 1.00 55.53 C ATOM 1725 CG HIS A 113 12.251 -7.939 -12.427 1.00 63.31 C ATOM 1726 ND1 HIS A 113 11.027 -7.341 -12.640 1.00 61.43 N ATOM 1727 CD2 HIS A 113 12.199 -9.137 -13.058 1.00 3.54 C ATOM 1728 CE1 HIS A 113 10.269 -8.143 -13.366 1.00 4.30 C ATOM 1729 NE2 HIS A 113 10.957 -9.239 -13.633 1.00 30.32 N ATOM 0 H HIS A 113 11.782 -7.738 -9.757 1.00 54.12 H new ATOM 0 HA HIS A 113 14.161 -9.047 -10.696 1.00 74.54 H new ATOM 0 HB2 HIS A 113 13.034 -6.296 -11.338 1.00 55.53 H new ATOM 0 HB3 HIS A 113 14.224 -7.176 -12.277 1.00 55.53 H new ATOM 0 HD2 HIS A 113 12.987 -9.874 -13.101 1.00 3.54 H new ATOM 0 HE1 HIS A 113 9.258 -7.938 -13.687 1.00 4.30 H new ATOM 0 HE2 HIS A 113 10.620 -10.032 -14.178 1.00 30.32 H new ATOM 1737 N HIS A 114 15.857 -6.884 -10.326 1.00 44.33 N ATOM 1738 CA HIS A 114 16.951 -6.144 -9.705 1.00 35.41 C ATOM 1739 C HIS A 114 17.955 -5.676 -10.754 1.00 14.24 C ATOM 1740 O HIS A 114 18.438 -4.544 -10.704 1.00 15.04 O ATOM 1741 CB HIS A 114 17.653 -7.012 -8.661 1.00 62.43 C ATOM 1742 CG HIS A 114 18.190 -6.234 -7.499 1.00 34.31 C ATOM 1743 ND1 HIS A 114 17.957 -6.587 -6.186 1.00 2.13 N ATOM 1744 CD2 HIS A 114 18.953 -5.117 -7.457 1.00 75.44 C ATOM 1745 CE1 HIS A 114 18.553 -5.719 -5.387 1.00 61.01 C ATOM 1746 NE2 HIS A 114 19.164 -4.818 -6.134 1.00 3.00 N ATOM 0 H HIS A 114 15.961 -7.026 -11.331 1.00 44.33 H new ATOM 0 HA HIS A 114 16.531 -5.266 -9.214 1.00 35.41 H new ATOM 0 HB2 HIS A 114 16.952 -7.762 -8.293 1.00 62.43 H new ATOM 0 HB3 HIS A 114 18.473 -7.549 -9.138 1.00 62.43 H new ATOM 0 HD2 HIS A 114 19.326 -4.564 -8.306 1.00 75.44 H new ATOM 0 HE1 HIS A 114 18.542 -5.743 -4.307 1.00 61.01 H new ATOM 0 HE2 HIS A 114 19.705 -4.027 -5.784 1.00 3.00 H new ATOM 1754 N HIS A 115 18.264 -6.554 -11.703 1.00 43.20 N ATOM 1755 CA HIS A 115 19.212 -6.230 -12.764 1.00 70.11 C ATOM 1756 C HIS A 115 18.812 -4.939 -13.474 1.00 24.21 C ATOM 1757 O HIS A 115 17.671 -4.488 -13.367 1.00 24.43 O ATOM 1758 CB HIS A 115 19.291 -7.376 -13.772 1.00 44.33 C ATOM 1759 CG HIS A 115 20.352 -8.385 -13.449 1.00 55.55 C ATOM 1760 ND1 HIS A 115 21.013 -9.116 -14.414 1.00 13.11 N ATOM 1761 CD2 HIS A 115 20.865 -8.780 -12.262 1.00 3.32 C ATOM 1762 CE1 HIS A 115 21.886 -9.919 -13.832 1.00 42.24 C ATOM 1763 NE2 HIS A 115 21.817 -9.734 -12.526 1.00 53.20 N ATOM 0 H HIS A 115 17.873 -7.494 -11.759 1.00 43.20 H new ATOM 0 HA HIS A 115 20.193 -6.086 -12.311 1.00 70.11 H new ATOM 0 HB2 HIS A 115 18.325 -7.878 -13.816 1.00 44.33 H new ATOM 0 HB3 HIS A 115 19.482 -6.965 -14.763 1.00 44.33 H new ATOM 0 HD2 HIS A 115 20.579 -8.413 -11.287 1.00 3.32 H new ATOM 0 HE1 HIS A 115 22.544 -10.609 -14.338 1.00 42.24 H new ATOM 0 HE2 HIS A 115 22.379 -10.220 -11.827 1.00 53.20 H new ATOM 1771 N HIS A 116 19.758 -4.350 -14.198 1.00 25.54 N ATOM 1772 CA HIS A 116 19.505 -3.112 -14.924 1.00 53.31 C ATOM 1773 C HIS A 116 19.360 -3.379 -16.420 1.00 72.31 C ATOM 1774 O HIS A 116 18.369 -3.983 -16.829 1.00 72.30 O ATOM 1775 CB HIS A 116 20.636 -2.112 -14.681 1.00 62.11 C ATOM 1776 CG HIS A 116 20.364 -1.161 -13.556 1.00 70.33 C ATOM 1777 ND1 HIS A 116 20.178 0.192 -13.743 1.00 32.14 N ATOM 1778 CD2 HIS A 116 20.244 -1.376 -12.225 1.00 44.22 C ATOM 1779 CE1 HIS A 116 19.957 0.769 -12.575 1.00 60.23 C ATOM 1780 NE2 HIS A 116 19.992 -0.161 -11.638 1.00 25.52 N ATOM 0 H HIS A 116 20.707 -4.711 -14.297 1.00 25.54 H new ATOM 0 HA HIS A 116 18.571 -2.689 -14.555 1.00 53.31 H new ATOM 0 HB2 HIS A 116 21.554 -2.659 -14.469 1.00 62.11 H new ATOM 0 HB3 HIS A 116 20.808 -1.542 -15.594 1.00 62.11 H new ATOM 0 HD2 HIS A 116 20.330 -2.326 -11.719 1.00 44.22 H new ATOM 0 HE1 HIS A 116 19.778 1.822 -12.414 1.00 60.23 H new ATOM 0 HE2 HIS A 116 19.854 -0.002 -10.640 1.00 25.52 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 13.303 35.053 2.158 1.00 64.12 C HETATM 1790 N2 B6D A 117 11.363 36.033 1.006 1.00 22.23 N HETATM 1791 C3 B6D A 117 13.544 37.251 0.952 1.00 40.34 C HETATM 1792 C4 B6D A 117 14.800 37.557 1.790 1.00 12.02 C HETATM 1793 C5 B6D A 117 15.492 36.254 2.242 1.00 72.22 C HETATM 1794 C6 B6D A 117 16.636 36.472 3.231 1.00 34.21 C HETATM 1795 C7 B6D A 117 11.345 35.470 -0.249 1.00 40.11 C HETATM 1796 C8 B6D A 117 9.969 34.950 -0.733 1.00 35.45 C HETATM 1797 C9 B6D A 117 17.679 39.844 0.598 1.00 24.30 C HETATM 1798 C2 B6D A 117 12.582 36.355 1.765 1.00 11.03 C HETATM 1799 O7 B6D A 117 12.331 35.349 -0.952 1.00 45.50 O HETATM 1800 N4 B6D A 117 15.743 38.386 1.028 1.00 12.21 N HETATM 1801 C10 B6D A 117 16.725 39.157 1.595 1.00 3.25 C HETATM 1802 O10 B6D A 117 16.874 39.292 2.798 1.00 10.43 O HETATM 1803 O5 B6D A 117 14.508 35.393 2.942 1.00 54.42 O HETATM 1804 O3 B6D A 117 12.876 38.525 0.628 1.00 24.11 O HETATM 0 HN4 B6D A 117 15.662 38.388 0.011 1.00 12.21 H new HETATM 0 HN2 B6D A 117 10.465 36.243 1.443 1.00 22.23 H new HETATM 0 H9B B6D A 117 18.186 39.087 -0.000 1.00 24.30 H new HETATM 0 H9A B6D A 117 17.108 40.502 -0.057 1.00 24.30 H new HETATM 0 H9 B6D A 117 18.418 40.429 1.146 1.00 24.30 H new HETATM 0 H8B B6D A 117 9.609 34.181 -0.049 1.00 35.45 H new HETATM 0 H8A B6D A 117 9.257 35.775 -0.759 1.00 35.45 H new HETATM 0 H8 B6D A 117 10.071 34.527 -1.733 1.00 35.45 H new HETATM 0 H6B B6D A 117 17.399 37.100 2.772 1.00 34.21 H new HETATM 0 H6A B6D A 117 16.254 36.962 4.127 1.00 34.21 H new HETATM 0 H6 B6D A 117 17.072 35.510 3.501 1.00 34.21 H new HETATM 0 H5 B6D A 117 15.892 35.806 1.332 1.00 72.22 H new HETATM 0 H4 B6D A 117 14.483 38.108 2.676 1.00 12.02 H new HETATM 0 H3 B6D A 117 13.824 36.731 0.036 1.00 40.34 H new HETATM 0 H2 B6D A 117 12.284 36.905 2.657 1.00 11.03 H new HETATM 1821 C1 A2G A 118 13.120 39.041 -0.743 1.00 53.31 C HETATM 1822 C2 A2G A 118 12.820 40.548 -0.777 1.00 22.10 C HETATM 1823 C3 A2G A 118 11.348 40.756 -0.374 1.00 1.24 C HETATM 1824 C4 A2G A 118 10.382 40.025 -1.405 1.00 21.24 C HETATM 1825 C5 A2G A 118 10.786 38.572 -1.544 1.00 71.44 C HETATM 1826 C6 A2G A 118 10.002 37.729 -2.559 1.00 33.22 C HETATM 1827 C7 A2G A 118 13.888 42.661 0.030 1.00 60.24 C HETATM 1828 C8 A2G A 118 14.841 43.270 1.075 1.00 54.44 C HETATM 1829 O A2G A 118 12.249 38.392 -1.752 1.00 45.11 O HETATM 1830 O3 A2G A 118 11.040 42.150 -0.260 1.00 13.02 O HETATM 1831 O4 A2G A 118 10.531 40.673 -2.720 1.00 51.21 O HETATM 1832 O6 A2G A 118 10.760 36.584 -2.962 1.00 43.54 O HETATM 1833 O7 A2G A 118 13.281 43.374 -0.752 1.00 71.23 O HETATM 1834 N2 A2G A 118 13.765 41.293 0.066 1.00 63.51 N HETATM 0 HO3 A2G A 118 11.704 42.673 -0.755 1.00 13.02 H new HETATM 0 HN2 A2G A 118 14.359 40.769 0.709 1.00 63.51 H new HETATM 0 H8B A2G A 118 14.491 43.020 2.076 1.00 54.44 H new HETATM 0 H8A A2G A 118 15.844 42.868 0.931 1.00 54.44 H new HETATM 0 H8 A2G A 118 14.864 44.354 0.959 1.00 54.44 H new HETATM 0 H6 A2G A 118 9.759 38.335 -3.432 1.00 33.22 H new HETATM 0 H5 A2G A 118 10.504 38.174 -0.569 1.00 71.44 H new HETATM 0 H4 A2G A 118 9.353 40.088 -1.050 1.00 21.24 H new HETATM 0 H3 A2G A 118 11.190 40.308 0.607 1.00 1.24 H new HETATM 0 H2 A2G A 118 12.958 40.945 -1.783 1.00 22.10 H new HETATM 0 H15 A2G A 118 11.639 36.605 -2.529 1.00 43.54 H new HETATM 0 H14 A2G A 118 9.057 37.409 -2.120 1.00 33.22 H new HETATM 1848 C1 A2G A 119 9.271 40.854 -3.487 1.00 5.22 C HETATM 1849 C2 A2G A 119 9.597 40.914 -4.987 1.00 34.53 C HETATM 1850 C3 A2G A 119 10.551 42.099 -5.226 1.00 54.44 C HETATM 1851 C4 A2G A 119 9.854 43.466 -4.804 1.00 43.12 C HETATM 1852 C5 A2G A 119 9.340 43.362 -3.383 1.00 52.44 C HETATM 1853 C6 A2G A 119 8.572 44.573 -2.836 1.00 32.32 C HETATM 1854 C7 A2G A 119 9.808 39.087 -6.681 1.00 45.33 C HETATM 1855 C8 A2G A 119 10.381 37.683 -6.955 1.00 53.14 C HETATM 1856 O A2G A 119 8.572 42.111 -3.132 1.00 35.11 O HETATM 1857 O3 A2G A 119 10.996 42.133 -6.587 1.00 70.10 O HETATM 1858 O4 A2G A 119 8.703 43.694 -5.696 1.00 62.23 O HETATM 1859 O6 A2G A 119 8.558 44.559 -1.404 1.00 74.42 O HETATM 1860 O7 A2G A 119 9.133 39.660 -7.521 1.00 21.53 O HETATM 1861 N2 A2G A 119 10.133 39.632 -5.462 1.00 71.54 N HETATM 0 HO3 A2G A 119 11.599 42.895 -6.715 1.00 70.10 H new HETATM 0 HN2 A2G A 119 10.777 39.122 -4.858 1.00 71.54 H new HETATM 0 H8B A2G A 119 11.470 37.720 -6.916 1.00 53.14 H new HETATM 0 H8A A2G A 119 10.015 36.987 -6.200 1.00 53.14 H new HETATM 0 H8 A2G A 119 10.064 37.347 -7.942 1.00 53.14 H new HETATM 0 H6 A2G A 119 7.550 44.563 -3.215 1.00 32.32 H new HETATM 0 H5 A2G A 119 10.270 43.338 -2.815 1.00 52.44 H new HETATM 0 H4 A2G A 119 10.574 44.281 -4.876 1.00 43.12 H new HETATM 0 H3 A2G A 119 11.433 41.965 -4.600 1.00 54.44 H new HETATM 0 H2 A2G A 119 8.692 41.081 -5.571 1.00 34.53 H new HETATM 0 H15 A2G A 119 8.065 45.339 -1.074 1.00 74.42 H new HETATM 0 H14 A2G A 119 9.035 45.494 -3.191 1.00 32.32 H new HETATM 1875 C1 A2G A 120 8.598 45.064 -6.261 1.00 75.11 C HETATM 1876 C2 A2G A 120 7.121 45.382 -6.543 1.00 63.12 C HETATM 1877 C3 A2G A 120 6.586 44.340 -7.545 1.00 13.04 C HETATM 1878 C4 A2G A 120 7.392 44.422 -8.914 1.00 25.35 C HETATM 1879 C5 A2G A 120 8.878 44.312 -8.642 1.00 13.33 C HETATM 1880 C6 A2G A 120 9.815 44.446 -9.851 1.00 22.41 C HETATM 1881 C7 A2G A 120 6.444 46.478 -4.400 1.00 52.41 C HETATM 1882 C8 A2G A 120 5.546 46.365 -3.153 1.00 44.34 C HETATM 1883 O A2G A 120 9.335 45.204 -7.539 1.00 13.43 O HETATM 1884 O3 A2G A 120 5.178 44.504 -7.751 1.00 61.32 O HETATM 1885 O4 A2G A 120 7.132 45.736 -9.528 1.00 14.43 O HETATM 1886 O6 A2G A 120 10.859 43.468 -9.793 1.00 32.03 O HETATM 1887 O7 A2G A 120 7.167 47.448 -4.563 1.00 31.53 O HETATM 1888 N2 A2G A 120 6.346 45.441 -5.296 1.00 62.34 N HETATM 0 HN2 A2G A 120 5.705 44.676 -5.086 1.00 62.34 H new HETATM 0 H8B A2G A 120 4.501 46.322 -3.460 1.00 44.34 H new HETATM 0 H8A A2G A 120 5.800 45.459 -2.603 1.00 44.34 H new HETATM 0 H8 A2G A 120 5.701 47.234 -2.513 1.00 44.34 H new HETATM 0 H6 A2G A 120 10.248 45.446 -9.873 1.00 22.41 H new HETATM 0 H5 A2G A 120 8.966 43.271 -8.331 1.00 13.33 H new HETATM 0 H4 A2G A 120 7.078 43.612 -9.572 1.00 25.35 H new HETATM 0 H3 A2G A 120 6.739 43.345 -7.126 1.00 13.04 H new HETATM 0 H2 A2G A 120 7.020 46.370 -6.991 1.00 63.12 H new HETATM 0 H15 A2G A 120 11.445 43.568 -10.572 1.00 32.03 H new HETATM 0 H14 A2G A 120 9.247 44.324 -10.773 1.00 22.41 H new HETATM 1901 C1 A2G A 121 6.945 45.725 -11.002 1.00 2.30 C HETATM 1902 C2 A2G A 121 7.578 46.990 -11.601 1.00 72.21 C HETATM 1903 C3 A2G A 121 6.887 48.218 -10.978 1.00 35.02 C HETATM 1904 C4 A2G A 121 5.334 48.214 -11.325 1.00 60.35 C HETATM 1905 C5 A2G A 121 4.720 46.889 -10.926 1.00 64.44 C HETATM 1906 C6 A2G A 121 3.236 46.683 -11.257 1.00 32.30 C HETATM 1907 C7 A2G A 121 9.919 46.635 -12.408 1.00 33.21 C HETATM 1908 C8 A2G A 121 11.403 46.608 -11.998 1.00 61.42 C HETATM 1909 O A2G A 121 5.515 45.716 -11.389 1.00 51.53 O HETATM 1910 O3 A2G A 121 7.518 49.432 -11.399 1.00 33.45 O HETATM 1911 O4 A2G A 121 5.184 48.369 -12.784 1.00 5.33 O HETATM 1912 O6 A2G A 121 2.494 46.354 -10.078 1.00 13.21 O HETATM 1913 O7 A2G A 121 9.583 46.374 -13.552 1.00 34.41 O HETATM 1914 N2 A2G A 121 9.035 46.989 -11.416 1.00 45.13 N HETATM 0 HO3 A2G A 121 7.060 50.197 -10.992 1.00 33.45 H new HETATM 0 HN2 A2G A 121 9.409 47.264 -10.508 1.00 45.13 H new HETATM 0 H8B A2G A 121 11.705 47.599 -11.658 1.00 61.42 H new HETATM 0 H8A A2G A 121 11.544 45.889 -11.191 1.00 61.42 H new HETATM 0 H8 A2G A 121 12.012 46.317 -12.854 1.00 61.42 H new HETATM 0 H6 A2G A 121 3.130 45.886 -11.993 1.00 32.30 H new HETATM 0 H5 A2G A 121 4.759 46.952 -9.839 1.00 64.44 H new HETATM 0 H4 A2G A 121 4.839 49.024 -10.789 1.00 60.35 H new HETATM 0 H3 A2G A 121 6.989 48.161 -9.894 1.00 35.02 H new HETATM 0 H2 A2G A 121 7.424 47.022 -12.680 1.00 72.21 H new HETATM 0 H15 A2G A 121 1.550 46.228 -10.310 1.00 13.21 H new HETATM 0 H14 A2G A 121 2.830 47.589 -11.707 1.00 32.30 H new HETATM 1928 C1 A2G A 122 4.306 49.485 -13.218 1.00 53.24 C HETATM 1929 C2 A2G A 122 3.680 49.136 -14.578 1.00 41.03 C HETATM 1930 C3 A2G A 122 4.821 48.920 -15.592 1.00 23.34 C HETATM 1931 C4 A2G A 122 5.678 50.250 -15.754 1.00 72.13 C HETATM 1932 C5 A2G A 122 6.141 50.732 -14.395 1.00 60.35 C HETATM 1933 C6 A2G A 122 6.924 52.051 -14.357 1.00 40.45 C HETATM 1934 C7 A2G A 122 1.411 48.102 -14.398 1.00 23.25 C HETATM 1935 C8 A2G A 122 0.636 46.782 -14.224 1.00 25.14 C HETATM 1936 O A2G A 122 5.048 50.757 -13.383 1.00 54.55 O HETATM 1937 O3 A2G A 122 4.309 48.464 -16.849 1.00 43.54 O HETATM 1938 O4 A2G A 122 4.815 51.289 -16.342 1.00 35.01 O HETATM 1939 O6 A2G A 122 7.313 52.372 -13.018 1.00 44.52 O HETATM 1940 O7 A2G A 122 0.819 49.165 -14.488 1.00 72.21 O HETATM 1941 N2 A2G A 122 2.778 47.982 -14.465 1.00 4.35 N HETATM 0 HO4 A2G A 122 4.341 51.764 -15.627 1.00 35.01 H new HETATM 0 HO3 A2G A 122 5.050 48.335 -17.477 1.00 43.54 H new HETATM 0 HN2 A2G A 122 3.186 47.048 -14.435 1.00 4.35 H new HETATM 0 H8B A2G A 122 0.845 46.123 -15.067 1.00 25.14 H new HETATM 0 H8A A2G A 122 0.947 46.297 -13.299 1.00 25.14 H new HETATM 0 H8 A2G A 122 -0.433 46.990 -14.183 1.00 25.14 H new HETATM 0 H6 A2G A 122 6.311 52.855 -14.765 1.00 40.45 H new HETATM 0 H5 A2G A 122 6.868 49.965 -14.129 1.00 60.35 H new HETATM 0 H4 A2G A 122 6.543 50.052 -16.388 1.00 72.13 H new HETATM 0 H3 A2G A 122 5.482 48.142 -15.211 1.00 23.34 H new HETATM 0 H2 A2G A 122 3.055 49.955 -14.934 1.00 41.03 H new HETATM 0 H15 A2G A 122 6.729 51.903 -12.386 1.00 44.52 H new HETATM 0 H14 A2G A 122 7.809 51.972 -14.989 1.00 40.45 H new HETATM 1955 C2 BGC A 123 2.944 43.570 -8.118 1.00 54.32 C HETATM 1956 C3 BGC A 123 2.062 42.616 -8.950 1.00 24.22 C HETATM 1957 C4 BGC A 123 2.556 42.459 -10.400 1.00 72.11 C HETATM 1958 C5 BGC A 123 4.057 42.120 -10.440 1.00 35.43 C HETATM 1959 C6 BGC A 123 4.659 41.984 -11.845 1.00 73.13 C HETATM 1960 C1 BGC A 123 4.458 43.356 -8.323 1.00 51.32 C HETATM 1961 O2 BGC A 123 2.658 43.345 -6.727 1.00 0.24 O HETATM 1962 O3 BGC A 123 0.732 43.166 -8.986 1.00 22.34 O HETATM 1963 O4 BGC A 123 1.834 41.374 -11.008 1.00 72.33 O HETATM 1964 O5 BGC A 123 4.760 43.228 -9.764 1.00 23.22 O HETATM 1965 O6 BGC A 123 5.861 41.207 -11.756 1.00 61.02 O HETATM 0 H6C2 BGC A 123 3.947 41.504 -12.516 1.00 73.13 H new HETATM 0 H6C1 BGC A 123 4.875 42.968 -12.261 1.00 73.13 H new HETATM 0 HD BGC A 123 1.747 41.538 -11.970 1.00 72.33 H new HETATM 0 HC BGC A 123 0.149 42.579 -9.511 1.00 22.34 H new HETATM 0 HB BGC A 123 3.210 43.941 -6.179 1.00 0.24 H new HETATM 0 H6 BGC A 123 6.255 41.111 -12.648 1.00 61.02 H new HETATM 0 H5 BGC A 123 4.175 41.147 -9.964 1.00 35.43 H new HETATM 0 H4 BGC A 123 2.392 43.397 -10.930 1.00 72.11 H new HETATM 0 H3 BGC A 123 2.096 41.632 -8.482 1.00 24.22 H new HETATM 0 H2 BGC A 123 2.710 44.583 -8.445 1.00 54.32 H new