USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 28 THR OG1 : rot -93:sc= 1.31 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.14 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 179:sc= -7.9! (180deg=-7.93!) USER MOD Single : A 9 THR OG1 : rot -90:sc= -5.78! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -141:sc= -0.0344 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -1.88! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -147:sc= -0.289 (180deg=-1.74!) USER MOD Single : A 34 ASN : amide:sc= -3.27 K(o=-3.3,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= -0.819! (180deg=-0.844!) USER MOD Single : A 40 ASN : amide:sc= -6.1! C(o=-6.1!,f=-8.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 57 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.2!) USER MOD Single : A 58 THR OG1 : rot -57:sc= 1.16 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -20:sc= 0.426 USER MOD Single : A 68 TYR OH : rot -140:sc= -1.86 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 24:sc= 0.414 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 121:sc= 0.538 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -2.34! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 157:sc= -0.472 (180deg=-1.69) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0237 USER MOD Single : A 95 THR OG1 : rot 33:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.090 -10.336 -3.308 1.00 0.00 N ATOM 2 CA ALA A 1 -14.655 -9.136 -4.001 1.00 0.00 C ATOM 3 C ALA A 1 -13.238 -8.777 -3.550 1.00 0.00 C ATOM 4 O ALA A 1 -12.744 -9.311 -2.559 1.00 0.00 O ATOM 5 CB ALA A 1 -15.654 -8.006 -3.741 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.255 -11.095 -3.999 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.355 -10.634 -2.635 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.972 -10.139 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.625 -9.304 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.328 -7.105 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.638 -8.299 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.708 -7.808 -2.671 1.00 0.00 H new ATOM 11 N SER A 2 -12.624 -7.872 -4.300 1.00 0.00 N ATOM 12 CA SER A 2 -11.274 -7.436 -3.990 1.00 0.00 C ATOM 13 C SER A 2 -11.315 -6.273 -2.996 1.00 0.00 C ATOM 14 O SER A 2 -12.374 -5.695 -2.756 1.00 0.00 O ATOM 15 CB SER A 2 -10.523 -7.023 -5.258 1.00 0.00 C ATOM 16 OG SER A 2 -11.071 -5.846 -5.843 1.00 0.00 O ATOM 0 H SER A 2 -13.037 -7.430 -5.121 1.00 0.00 H new ATOM 0 HA SER A 2 -10.740 -8.273 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.473 -6.854 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.558 -7.837 -5.982 1.00 0.00 H new ATOM 0 HG SER A 2 -10.563 -5.614 -6.649 1.00 0.00 H new ATOM 22 N VAL A 3 -10.150 -5.965 -2.445 1.00 0.00 N ATOM 23 CA VAL A 3 -10.040 -4.882 -1.483 1.00 0.00 C ATOM 24 C VAL A 3 -9.215 -3.747 -2.092 1.00 0.00 C ATOM 25 O VAL A 3 -8.711 -3.869 -3.209 1.00 0.00 O ATOM 26 CB VAL A 3 -9.458 -5.406 -0.169 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.471 -6.286 0.566 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.150 -6.162 -0.412 1.00 0.00 C ATOM 0 H VAL A 3 -9.274 -6.447 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.025 -4.478 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.236 -4.548 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.033 -6.646 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.366 -5.704 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.738 -7.136 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.757 -6.524 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.336 -7.008 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.424 -5.493 -0.874 1.00 0.00 H new ATOM 38 N GLN A 4 -9.099 -2.668 -1.331 1.00 0.00 N ATOM 39 CA GLN A 4 -8.342 -1.512 -1.782 1.00 0.00 C ATOM 40 C GLN A 4 -7.703 -0.799 -0.590 1.00 0.00 C ATOM 41 O GLN A 4 -8.223 -0.856 0.524 1.00 0.00 O ATOM 42 CB GLN A 4 -9.228 -0.555 -2.584 1.00 0.00 C ATOM 43 CG GLN A 4 -10.284 -1.323 -3.380 1.00 0.00 C ATOM 44 CD GLN A 4 -11.150 -0.369 -4.206 1.00 0.00 C ATOM 45 OE1 GLN A 4 -10.671 -0.121 -5.423 1.00 0.00 O flip ATOM 46 NE2 GLN A 4 -12.182 0.111 -3.768 1.00 0.00 N flip ATOM 0 H GLN A 4 -9.516 -2.570 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.547 -1.858 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.716 0.147 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.612 0.033 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.796 -2.041 -4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.914 -1.894 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.492 -0.122 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.735 0.745 -4.345 1.00 0.00 H new ATOM 55 N ILE A 5 -6.585 -0.143 -0.863 1.00 0.00 N ATOM 56 CA ILE A 5 -5.869 0.581 0.173 1.00 0.00 C ATOM 57 C ILE A 5 -5.884 2.077 -0.151 1.00 0.00 C ATOM 58 O ILE A 5 -5.274 2.509 -1.127 1.00 0.00 O ATOM 59 CB ILE A 5 -4.464 0.006 0.356 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.492 -1.240 1.245 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.501 1.068 0.889 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.699 -0.861 2.713 1.00 0.00 C ATOM 0 H ILE A 5 -6.157 -0.098 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.366 0.458 1.135 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.093 -0.304 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.293 -1.905 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.557 -1.790 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.509 0.632 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.449 1.898 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.857 1.431 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.715 -1.764 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.884 -0.216 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.646 -0.332 2.822 1.00 0.00 H new ATOM 74 N LYS A 6 -6.587 2.825 0.687 1.00 0.00 N ATOM 75 CA LYS A 6 -6.690 4.262 0.501 1.00 0.00 C ATOM 76 C LYS A 6 -5.444 4.936 1.078 1.00 0.00 C ATOM 77 O LYS A 6 -4.936 4.524 2.119 1.00 0.00 O ATOM 78 CB LYS A 6 -8.002 4.786 1.089 1.00 0.00 C ATOM 79 CG LYS A 6 -9.046 5.006 -0.008 1.00 0.00 C ATOM 80 CD LYS A 6 -10.394 5.409 0.592 1.00 0.00 C ATOM 81 CE LYS A 6 -11.197 6.263 -0.391 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.545 6.548 0.151 1.00 0.00 N ATOM 0 H LYS A 6 -7.091 2.463 1.496 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.724 4.508 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.385 4.077 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.820 5.723 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.702 5.782 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.162 4.094 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.962 4.516 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.234 5.965 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.671 7.198 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.285 5.744 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.077 7.129 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.051 5.654 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.456 7.062 1.050 1.00 0.00 H new ATOM 96 N MET A 7 -4.987 5.963 0.376 1.00 0.00 N ATOM 97 CA MET A 7 -3.810 6.698 0.805 1.00 0.00 C ATOM 98 C MET A 7 -4.168 8.140 1.173 1.00 0.00 C ATOM 99 O MET A 7 -4.377 8.974 0.294 1.00 0.00 O ATOM 100 CB MET A 7 -2.771 6.702 -0.319 1.00 0.00 C ATOM 101 CG MET A 7 -2.262 5.286 -0.599 1.00 0.00 C ATOM 102 SD MET A 7 -3.205 4.549 -1.924 1.00 0.00 S ATOM 103 CE MET A 7 -2.191 5.010 -3.319 1.00 0.00 C ATOM 0 H MET A 7 -5.411 6.303 -0.487 1.00 0.00 H new ATOM 0 HA MET A 7 -3.401 6.207 1.688 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.211 7.120 -1.224 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.935 7.345 -0.044 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.206 5.317 -0.867 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.345 4.676 0.301 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.629 4.612 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.137 6.097 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.188 4.604 -3.190 1.00 0.00 H new ATOM 113 N GLY A 8 -4.227 8.387 2.473 1.00 0.00 N ATOM 114 CA GLY A 8 -4.557 9.713 2.968 1.00 0.00 C ATOM 115 C GLY A 8 -5.993 9.760 3.496 1.00 0.00 C ATOM 116 O GLY A 8 -6.884 9.124 2.936 1.00 0.00 O ATOM 0 H GLY A 8 -4.052 7.692 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.864 9.991 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.436 10.444 2.169 1.00 0.00 H new ATOM 120 N THR A 9 -6.171 10.520 4.565 1.00 0.00 N ATOM 121 CA THR A 9 -7.484 10.659 5.174 1.00 0.00 C ATOM 122 C THR A 9 -8.003 12.088 5.002 1.00 0.00 C ATOM 123 O THR A 9 -7.218 13.026 4.865 1.00 0.00 O ATOM 124 CB THR A 9 -7.375 10.224 6.637 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.432 11.132 7.201 1.00 0.00 O ATOM 126 CG2 THR A 9 -6.712 8.854 6.792 1.00 0.00 C ATOM 0 H THR A 9 -5.429 11.046 5.026 1.00 0.00 H new ATOM 0 HA THR A 9 -8.217 10.019 4.683 1.00 0.00 H new ATOM 0 HB THR A 9 -8.369 10.199 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.528 10.766 7.106 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.659 8.593 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.299 8.104 6.262 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.705 8.888 6.376 1.00 0.00 H new ATOM 134 N ASP A 10 -9.321 12.210 5.016 1.00 0.00 N ATOM 135 CA ASP A 10 -9.955 13.509 4.863 1.00 0.00 C ATOM 136 C ASP A 10 -9.519 14.422 6.010 1.00 0.00 C ATOM 137 O ASP A 10 -9.702 15.637 5.946 1.00 0.00 O ATOM 138 CB ASP A 10 -11.479 13.387 4.908 1.00 0.00 C ATOM 139 CG ASP A 10 -12.228 14.705 5.124 1.00 0.00 C ATOM 140 OD1 ASP A 10 -11.911 15.664 4.388 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.098 14.722 6.020 1.00 0.00 O ATOM 0 H ASP A 10 -9.969 11.430 5.131 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.655 13.919 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.820 12.941 3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.750 12.697 5.708 1.00 0.00 H new ATOM 146 N LYS A 11 -8.951 13.802 7.034 1.00 0.00 N ATOM 147 CA LYS A 11 -8.488 14.544 8.194 1.00 0.00 C ATOM 148 C LYS A 11 -7.021 14.934 7.993 1.00 0.00 C ATOM 149 O LYS A 11 -6.229 14.891 8.933 1.00 0.00 O ATOM 150 CB LYS A 11 -8.742 13.748 9.475 1.00 0.00 C ATOM 151 CG LYS A 11 -9.371 14.631 10.555 1.00 0.00 C ATOM 152 CD LYS A 11 -9.241 13.988 11.935 1.00 0.00 C ATOM 153 CE LYS A 11 -10.407 14.391 12.841 1.00 0.00 C ATOM 154 NZ LYS A 11 -10.082 14.115 14.258 1.00 0.00 N ATOM 0 H LYS A 11 -8.801 12.794 7.084 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.052 15.470 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.400 12.906 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.803 13.333 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.887 15.608 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.423 14.798 10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.213 12.903 11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.299 14.289 12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.626 15.451 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.304 13.843 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.884 14.394 14.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.895 13.099 14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.238 14.657 14.533 1.00 0.00 H new ATOM 168 N TYR A 12 -6.705 15.304 6.761 1.00 0.00 N ATOM 169 CA TYR A 12 -5.348 15.701 6.424 1.00 0.00 C ATOM 170 C TYR A 12 -4.326 14.771 7.082 1.00 0.00 C ATOM 171 O TYR A 12 -3.233 15.202 7.444 1.00 0.00 O ATOM 172 CB TYR A 12 -5.170 17.113 6.986 1.00 0.00 C ATOM 173 CG TYR A 12 -5.006 18.193 5.915 1.00 0.00 C ATOM 174 CD1 TYR A 12 -3.968 18.115 5.009 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.899 19.245 5.853 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.814 19.131 4.000 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.745 20.260 4.845 1.00 0.00 C ATOM 178 CZ TYR A 12 -4.710 20.155 3.968 1.00 0.00 C ATOM 179 OH TYR A 12 -4.565 21.114 3.016 1.00 0.00 O ATOM 0 H TYR A 12 -7.365 15.337 5.984 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.191 15.657 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.033 17.358 7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.296 17.126 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.271 17.292 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.712 19.306 6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.006 19.081 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.436 21.088 4.786 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.276 21.781 3.113 1.00 0.00 H new ATOM 189 N ALA A 13 -4.718 13.512 7.214 1.00 0.00 N ATOM 190 CA ALA A 13 -3.850 12.519 7.821 1.00 0.00 C ATOM 191 C ALA A 13 -3.329 11.572 6.737 1.00 0.00 C ATOM 192 O ALA A 13 -4.053 10.688 6.281 1.00 0.00 O ATOM 193 CB ALA A 13 -4.611 11.780 8.923 1.00 0.00 C ATOM 0 H ALA A 13 -5.625 13.158 6.911 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.987 12.997 8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.959 11.035 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.934 12.492 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.483 11.286 8.495 1.00 0.00 H new ATOM 199 N PRO A 14 -2.046 11.795 6.347 1.00 0.00 N ATOM 200 CA PRO A 14 -1.421 10.973 5.325 1.00 0.00 C ATOM 201 C PRO A 14 -1.049 9.597 5.881 1.00 0.00 C ATOM 202 O PRO A 14 0.103 9.361 6.241 1.00 0.00 O ATOM 203 CB PRO A 14 -0.215 11.771 4.860 1.00 0.00 C ATOM 204 CG PRO A 14 0.057 12.791 5.955 1.00 0.00 C ATOM 205 CD PRO A 14 -1.160 12.833 6.865 1.00 0.00 C ATOM 0 HA PRO A 14 -2.088 10.762 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.648 11.122 4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.416 12.263 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.947 12.516 6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.245 13.774 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.886 12.639 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.639 13.812 6.840 1.00 0.00 H new ATOM 213 N LEU A 15 -2.045 8.726 5.932 1.00 0.00 N ATOM 214 CA LEU A 15 -1.837 7.379 6.438 1.00 0.00 C ATOM 215 C LEU A 15 -2.651 6.392 5.599 1.00 0.00 C ATOM 216 O LEU A 15 -3.654 6.767 4.991 1.00 0.00 O ATOM 217 CB LEU A 15 -2.146 7.315 7.935 1.00 0.00 C ATOM 218 CG LEU A 15 -3.519 7.841 8.359 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.565 6.725 8.332 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.446 8.525 9.725 1.00 0.00 C ATOM 0 H LEU A 15 -2.999 8.926 5.631 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.790 7.093 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.060 6.278 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.382 7.880 8.468 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.834 8.595 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.532 7.125 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.642 6.322 7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.268 5.931 9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.435 8.890 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.100 7.810 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.751 9.363 9.676 1.00 0.00 H new ATOM 232 N TYR A 16 -2.191 5.149 5.592 1.00 0.00 N ATOM 233 CA TYR A 16 -2.864 4.106 4.838 1.00 0.00 C ATOM 234 C TYR A 16 -4.180 3.708 5.508 1.00 0.00 C ATOM 235 O TYR A 16 -4.196 3.340 6.682 1.00 0.00 O ATOM 236 CB TYR A 16 -1.917 2.904 4.844 1.00 0.00 C ATOM 237 CG TYR A 16 -0.853 2.944 3.745 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.230 3.055 2.422 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.484 2.872 4.078 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.229 3.094 1.389 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.486 2.910 3.045 1.00 0.00 C ATOM 242 CZ TYR A 16 1.081 3.019 1.750 1.00 0.00 C ATOM 243 OH TYR A 16 2.027 3.056 0.775 1.00 0.00 O ATOM 0 H TYR A 16 -1.360 4.841 6.097 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.097 4.450 3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.421 2.850 5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.504 1.992 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.277 3.113 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.779 2.787 5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.511 3.181 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.536 2.853 3.292 1.00 0.00 H new ATOM 0 HH TYR A 16 2.749 2.431 0.995 1.00 0.00 H new ATOM 253 N GLU A 17 -5.252 3.793 4.733 1.00 0.00 N ATOM 254 CA GLU A 17 -6.569 3.446 5.238 1.00 0.00 C ATOM 255 C GLU A 17 -7.165 2.298 4.420 1.00 0.00 C ATOM 256 O GLU A 17 -7.261 2.388 3.197 1.00 0.00 O ATOM 257 CB GLU A 17 -7.497 4.663 5.233 1.00 0.00 C ATOM 258 CG GLU A 17 -8.659 4.469 6.208 1.00 0.00 C ATOM 259 CD GLU A 17 -9.511 5.737 6.303 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.008 6.717 6.892 1.00 0.00 O ATOM 261 OE2 GLU A 17 -10.648 5.697 5.782 1.00 0.00 O ATOM 0 H GLU A 17 -5.235 4.097 3.760 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.465 3.115 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.934 5.556 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.885 4.825 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.278 3.634 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.272 4.211 7.194 1.00 0.00 H new ATOM 268 N PRO A 18 -7.560 1.218 5.147 1.00 0.00 N ATOM 269 CA PRO A 18 -7.411 1.194 6.592 1.00 0.00 C ATOM 270 C PRO A 18 -5.950 0.970 6.987 1.00 0.00 C ATOM 271 O PRO A 18 -5.067 0.945 6.131 1.00 0.00 O ATOM 272 CB PRO A 18 -8.331 0.080 7.063 1.00 0.00 C ATOM 273 CG PRO A 18 -8.605 -0.780 5.840 1.00 0.00 C ATOM 274 CD PRO A 18 -8.156 -0.003 4.614 1.00 0.00 C ATOM 0 HA PRO A 18 -7.682 2.141 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.863 -0.505 7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.257 0.485 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.068 -1.726 5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.666 -1.020 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.435 -0.572 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.997 0.221 3.957 1.00 0.00 H new ATOM 282 N LYS A 19 -5.740 0.812 8.286 1.00 0.00 N ATOM 283 CA LYS A 19 -4.402 0.592 8.807 1.00 0.00 C ATOM 284 C LYS A 19 -4.128 -0.912 8.881 1.00 0.00 C ATOM 285 O LYS A 19 -3.285 -1.357 9.657 1.00 0.00 O ATOM 286 CB LYS A 19 -4.219 1.316 10.142 1.00 0.00 C ATOM 287 CG LYS A 19 -4.993 0.611 11.258 1.00 0.00 C ATOM 288 CD LYS A 19 -4.301 0.800 12.609 1.00 0.00 C ATOM 289 CE LYS A 19 -3.114 -0.152 12.756 1.00 0.00 C ATOM 290 NZ LYS A 19 -3.478 -1.308 13.606 1.00 0.00 N ATOM 0 H LYS A 19 -6.475 0.832 8.993 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.658 1.020 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.160 1.354 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.562 2.346 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.008 1.006 11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.075 -0.452 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.959 1.830 12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.014 0.624 13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.797 -0.501 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.268 0.377 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.660 -1.944 13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.759 -0.971 14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.271 -1.822 13.172 1.00 0.00 H new ATOM 304 N ALA A 20 -4.859 -1.654 8.061 1.00 0.00 N ATOM 305 CA ALA A 20 -4.707 -3.098 8.024 1.00 0.00 C ATOM 306 C ALA A 20 -5.728 -3.689 7.050 1.00 0.00 C ATOM 307 O ALA A 20 -6.889 -3.282 7.039 1.00 0.00 O ATOM 308 CB ALA A 20 -4.855 -3.665 9.438 1.00 0.00 C ATOM 0 H ALA A 20 -5.558 -1.282 7.418 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.714 -3.369 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.741 -4.749 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.089 -3.236 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.841 -3.414 9.829 1.00 0.00 H new ATOM 314 N LEU A 21 -5.260 -4.640 6.256 1.00 0.00 N ATOM 315 CA LEU A 21 -6.118 -5.292 5.280 1.00 0.00 C ATOM 316 C LEU A 21 -5.827 -6.794 5.274 1.00 0.00 C ATOM 317 O LEU A 21 -4.680 -7.209 5.432 1.00 0.00 O ATOM 318 CB LEU A 21 -5.968 -4.631 3.909 1.00 0.00 C ATOM 319 CG LEU A 21 -6.449 -5.453 2.712 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.913 -5.864 2.881 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.213 -4.702 1.400 1.00 0.00 C ATOM 0 H LEU A 21 -4.297 -4.976 6.268 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.166 -5.171 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.515 -3.688 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.916 -4.387 3.758 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.860 -6.369 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.229 -6.447 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.020 -6.466 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.534 -4.972 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.564 -5.309 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.759 -3.759 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.148 -4.503 1.281 1.00 0.00 H new ATOM 333 N SER A 22 -6.886 -7.569 5.090 1.00 0.00 N ATOM 334 CA SER A 22 -6.759 -9.016 5.060 1.00 0.00 C ATOM 335 C SER A 22 -7.433 -9.576 3.806 1.00 0.00 C ATOM 336 O SER A 22 -8.509 -9.120 3.420 1.00 0.00 O ATOM 337 CB SER A 22 -7.364 -9.647 6.314 1.00 0.00 C ATOM 338 OG SER A 22 -7.105 -11.047 6.386 1.00 0.00 O ATOM 0 H SER A 22 -7.836 -7.222 4.960 1.00 0.00 H new ATOM 0 HA SER A 22 -5.698 -9.265 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.957 -9.157 7.199 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.441 -9.477 6.322 1.00 0.00 H new ATOM 0 HG SER A 22 -7.506 -11.412 7.202 1.00 0.00 H new ATOM 344 N ILE A 23 -6.773 -10.553 3.204 1.00 0.00 N ATOM 345 CA ILE A 23 -7.295 -11.180 2.001 1.00 0.00 C ATOM 346 C ILE A 23 -6.915 -12.662 1.997 1.00 0.00 C ATOM 347 O ILE A 23 -6.366 -13.168 2.975 1.00 0.00 O ATOM 348 CB ILE A 23 -6.829 -10.422 0.757 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.304 -10.447 0.640 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.382 -8.996 0.744 1.00 0.00 C ATOM 351 CD1 ILE A 23 -4.860 -10.174 -0.799 1.00 0.00 C ATOM 0 H ILE A 23 -5.880 -10.927 3.526 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.384 -11.130 1.987 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.228 -10.929 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.872 -9.700 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.927 -11.417 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.035 -8.479 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.472 -9.028 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.034 -8.463 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.772 -10.197 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.274 -10.937 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.218 -9.193 -1.110 1.00 0.00 H new ATOM 363 N SER A 24 -7.223 -13.316 0.886 1.00 0.00 N ATOM 364 CA SER A 24 -6.921 -14.730 0.743 1.00 0.00 C ATOM 365 C SER A 24 -5.979 -14.945 -0.444 1.00 0.00 C ATOM 366 O SER A 24 -5.663 -14.003 -1.169 1.00 0.00 O ATOM 367 CB SER A 24 -8.200 -15.550 0.561 1.00 0.00 C ATOM 368 OG SER A 24 -9.186 -15.225 1.536 1.00 0.00 O ATOM 0 H SER A 24 -7.678 -12.893 0.077 1.00 0.00 H new ATOM 0 HA SER A 24 -6.430 -15.070 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.604 -15.374 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.962 -16.612 0.626 1.00 0.00 H new ATOM 0 HG SER A 24 -9.987 -15.768 1.385 1.00 0.00 H new ATOM 374 N ALA A 25 -5.558 -16.190 -0.606 1.00 0.00 N ATOM 375 CA ALA A 25 -4.659 -16.541 -1.691 1.00 0.00 C ATOM 376 C ALA A 25 -5.430 -16.526 -3.012 1.00 0.00 C ATOM 377 O ALA A 25 -6.165 -17.465 -3.317 1.00 0.00 O ATOM 378 CB ALA A 25 -4.019 -17.902 -1.405 1.00 0.00 C ATOM 0 H ALA A 25 -5.823 -16.969 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.853 -15.812 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.344 -18.165 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.459 -17.852 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.798 -18.660 -1.320 1.00 0.00 H new ATOM 384 N GLY A 26 -5.237 -15.451 -3.762 1.00 0.00 N ATOM 385 CA GLY A 26 -5.907 -15.302 -5.043 1.00 0.00 C ATOM 386 C GLY A 26 -6.726 -14.010 -5.086 1.00 0.00 C ATOM 387 O GLY A 26 -7.386 -13.723 -6.083 1.00 0.00 O ATOM 0 H GLY A 26 -4.626 -14.675 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.169 -15.296 -5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.560 -16.157 -5.218 1.00 0.00 H new ATOM 391 N ASP A 27 -6.654 -13.265 -3.993 1.00 0.00 N ATOM 392 CA ASP A 27 -7.380 -12.010 -3.894 1.00 0.00 C ATOM 393 C ASP A 27 -6.532 -10.887 -4.494 1.00 0.00 C ATOM 394 O ASP A 27 -5.385 -11.107 -4.878 1.00 0.00 O ATOM 395 CB ASP A 27 -7.671 -11.655 -2.434 1.00 0.00 C ATOM 396 CG ASP A 27 -8.890 -12.354 -1.830 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.185 -13.479 -2.288 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.500 -11.748 -0.923 1.00 0.00 O ATOM 0 H ASP A 27 -6.104 -13.506 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.321 -12.122 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.795 -11.902 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.815 -10.577 -2.359 1.00 0.00 H new ATOM 403 N THR A 28 -7.130 -9.706 -4.555 1.00 0.00 N ATOM 404 CA THR A 28 -6.445 -8.546 -5.101 1.00 0.00 C ATOM 405 C THR A 28 -6.443 -7.401 -4.087 1.00 0.00 C ATOM 406 O THR A 28 -7.291 -7.354 -3.197 1.00 0.00 O ATOM 407 CB THR A 28 -7.114 -8.183 -6.427 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.135 -9.410 -7.153 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.249 -7.258 -7.286 1.00 0.00 C ATOM 0 H THR A 28 -8.082 -9.527 -4.235 1.00 0.00 H new ATOM 0 HA THR A 28 -5.395 -8.763 -5.299 1.00 0.00 H new ATOM 0 HB THR A 28 -8.073 -7.704 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.335 -9.471 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.771 -7.032 -8.216 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.056 -6.333 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.303 -7.750 -7.512 1.00 0.00 H new ATOM 417 N VAL A 29 -5.482 -6.506 -4.256 1.00 0.00 N ATOM 418 CA VAL A 29 -5.359 -5.363 -3.367 1.00 0.00 C ATOM 419 C VAL A 29 -5.173 -4.092 -4.199 1.00 0.00 C ATOM 420 O VAL A 29 -4.103 -3.866 -4.763 1.00 0.00 O ATOM 421 CB VAL A 29 -4.222 -5.595 -2.369 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.026 -4.375 -1.467 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.472 -6.857 -1.539 1.00 0.00 C ATOM 0 H VAL A 29 -4.781 -6.549 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.269 -5.237 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.303 -5.742 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.212 -4.567 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.782 -3.506 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.944 -4.182 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.650 -7.000 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.406 -6.750 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.538 -7.721 -2.201 1.00 0.00 H new ATOM 433 N GLU A 30 -6.231 -3.296 -4.250 1.00 0.00 N ATOM 434 CA GLU A 30 -6.198 -2.055 -5.003 1.00 0.00 C ATOM 435 C GLU A 30 -5.662 -0.918 -4.131 1.00 0.00 C ATOM 436 O GLU A 30 -5.516 -1.076 -2.919 1.00 0.00 O ATOM 437 CB GLU A 30 -7.582 -1.712 -5.559 1.00 0.00 C ATOM 438 CG GLU A 30 -7.470 -0.892 -6.845 1.00 0.00 C ATOM 439 CD GLU A 30 -8.551 -1.296 -7.849 1.00 0.00 C ATOM 440 OE1 GLU A 30 -8.929 -2.487 -7.827 1.00 0.00 O ATOM 441 OE2 GLU A 30 -8.974 -0.405 -8.616 1.00 0.00 O ATOM 0 H GLU A 30 -7.117 -3.487 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.525 -2.187 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.136 -2.630 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.148 -1.152 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.562 0.169 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.485 -1.037 -7.288 1.00 0.00 H new ATOM 448 N PHE A 31 -5.382 0.203 -4.780 1.00 0.00 N ATOM 449 CA PHE A 31 -4.864 1.365 -4.079 1.00 0.00 C ATOM 450 C PHE A 31 -5.364 2.661 -4.721 1.00 0.00 C ATOM 451 O PHE A 31 -5.228 2.851 -5.929 1.00 0.00 O ATOM 452 CB PHE A 31 -3.339 1.311 -4.187 1.00 0.00 C ATOM 453 CG PHE A 31 -2.686 0.270 -3.275 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.704 -1.045 -3.624 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.091 0.659 -2.117 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.098 -2.011 -2.777 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.485 -0.308 -1.271 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.502 -1.622 -1.619 1.00 0.00 C ATOM 0 H PHE A 31 -5.504 0.331 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.198 1.353 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.066 1.096 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.933 2.294 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.178 -1.354 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.079 1.703 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.111 -3.055 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.011 0.001 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.042 -2.357 -0.975 1.00 0.00 H new ATOM 468 N VAL A 32 -5.931 3.518 -3.885 1.00 0.00 N ATOM 469 CA VAL A 32 -6.451 4.790 -4.357 1.00 0.00 C ATOM 470 C VAL A 32 -5.875 5.920 -3.501 1.00 0.00 C ATOM 471 O VAL A 32 -5.703 5.763 -2.294 1.00 0.00 O ATOM 472 CB VAL A 32 -7.981 4.762 -4.357 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.534 4.992 -2.950 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.548 5.785 -5.343 1.00 0.00 C ATOM 0 H VAL A 32 -6.042 3.357 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.142 4.971 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.298 3.771 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.623 4.967 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.171 4.210 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.203 5.964 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.637 5.744 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.217 6.784 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.195 5.556 -6.348 1.00 0.00 H new ATOM 484 N MET A 33 -5.592 7.034 -4.161 1.00 0.00 N ATOM 485 CA MET A 33 -5.038 8.189 -3.477 1.00 0.00 C ATOM 486 C MET A 33 -6.149 9.128 -3.000 1.00 0.00 C ATOM 487 O MET A 33 -6.879 9.694 -3.812 1.00 0.00 O ATOM 488 CB MET A 33 -4.103 8.944 -4.423 1.00 0.00 C ATOM 489 CG MET A 33 -3.013 9.682 -3.645 1.00 0.00 C ATOM 490 SD MET A 33 -3.470 11.394 -3.428 1.00 0.00 S ATOM 491 CE MET A 33 -2.487 12.143 -4.716 1.00 0.00 C ATOM 0 H MET A 33 -5.736 7.160 -5.163 1.00 0.00 H new ATOM 0 HA MET A 33 -4.483 7.840 -2.606 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.645 8.244 -5.122 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.677 9.656 -5.015 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.866 9.210 -2.673 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.065 9.615 -4.179 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.172 13.138 -4.401 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.608 11.528 -4.907 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.080 12.221 -5.627 1.00 0.00 H new ATOM 501 N ASN A 34 -6.240 9.265 -1.686 1.00 0.00 N ATOM 502 CA ASN A 34 -7.250 10.125 -1.091 1.00 0.00 C ATOM 503 C ASN A 34 -6.834 11.588 -1.266 1.00 0.00 C ATOM 504 O ASN A 34 -7.470 12.332 -2.011 1.00 0.00 O ATOM 505 CB ASN A 34 -7.394 9.850 0.407 1.00 0.00 C ATOM 506 CG ASN A 34 -8.566 8.906 0.681 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.641 7.803 0.167 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.474 9.400 1.519 1.00 0.00 N ATOM 0 H ASN A 34 -5.631 8.795 -1.016 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.200 9.924 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.472 9.412 0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.546 10.789 0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.294 8.847 1.766 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.350 10.332 1.914 1.00 0.00 H new ATOM 515 N LYS A 35 -5.770 11.955 -0.568 1.00 0.00 N ATOM 516 CA LYS A 35 -5.263 13.315 -0.637 1.00 0.00 C ATOM 517 C LYS A 35 -3.910 13.386 0.075 1.00 0.00 C ATOM 518 O LYS A 35 -3.315 12.357 0.390 1.00 0.00 O ATOM 519 CB LYS A 35 -6.298 14.300 -0.092 1.00 0.00 C ATOM 520 CG LYS A 35 -7.168 13.645 0.983 1.00 0.00 C ATOM 521 CD LYS A 35 -6.315 13.155 2.154 1.00 0.00 C ATOM 522 CE LYS A 35 -5.885 14.321 3.045 1.00 0.00 C ATOM 523 NZ LYS A 35 -7.060 15.125 3.449 1.00 0.00 N ATOM 0 H LYS A 35 -5.245 11.335 0.048 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.094 13.608 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.792 15.170 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.928 14.658 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.909 14.360 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.716 12.807 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.880 12.432 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.433 12.638 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.375 13.941 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.172 14.950 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.753 15.903 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.520 15.517 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.734 14.521 3.961 1.00 0.00 H new ATOM 537 N VAL A 36 -3.465 14.612 0.307 1.00 0.00 N ATOM 538 CA VAL A 36 -2.193 14.832 0.977 1.00 0.00 C ATOM 539 C VAL A 36 -1.114 13.983 0.301 1.00 0.00 C ATOM 540 O VAL A 36 -0.278 13.384 0.976 1.00 0.00 O ATOM 541 CB VAL A 36 -2.332 14.542 2.472 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.557 13.049 2.724 1.00 0.00 C ATOM 543 CG2 VAL A 36 -1.113 15.051 3.245 1.00 0.00 C ATOM 0 H VAL A 36 -3.961 15.463 0.044 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.890 15.875 0.889 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.208 15.078 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.652 12.871 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.469 12.728 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.710 12.483 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.237 14.832 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.215 14.556 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.017 16.128 3.106 1.00 0.00 H new ATOM 553 N GLY A 37 -1.167 13.960 -1.022 1.00 0.00 N ATOM 554 CA GLY A 37 -0.203 13.196 -1.796 1.00 0.00 C ATOM 555 C GLY A 37 1.026 14.042 -2.133 1.00 0.00 C ATOM 556 O GLY A 37 1.260 15.078 -1.513 1.00 0.00 O ATOM 0 H GLY A 37 -1.862 14.458 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.102 12.313 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.669 12.843 -2.716 1.00 0.00 H new ATOM 560 N PRO A 38 1.800 13.557 -3.141 1.00 0.00 N ATOM 561 CA PRO A 38 1.452 12.322 -3.824 1.00 0.00 C ATOM 562 C PRO A 38 1.765 11.106 -2.952 1.00 0.00 C ATOM 563 O PRO A 38 2.246 11.251 -1.829 1.00 0.00 O ATOM 564 CB PRO A 38 2.250 12.349 -5.117 1.00 0.00 C ATOM 565 CG PRO A 38 3.362 13.362 -4.899 1.00 0.00 C ATOM 566 CD PRO A 38 3.021 14.169 -3.656 1.00 0.00 C ATOM 0 HA PRO A 38 0.385 12.243 -4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.658 11.364 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.620 12.636 -5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.320 12.857 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.457 14.017 -5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.826 14.125 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.866 15.221 -3.897 1.00 0.00 H new ATOM 574 N HIS A 39 1.481 9.934 -3.500 1.00 0.00 N ATOM 575 CA HIS A 39 1.728 8.694 -2.786 1.00 0.00 C ATOM 576 C HIS A 39 2.377 7.678 -3.729 1.00 0.00 C ATOM 577 O HIS A 39 2.722 8.010 -4.862 1.00 0.00 O ATOM 578 CB HIS A 39 0.440 8.170 -2.146 1.00 0.00 C ATOM 579 CG HIS A 39 -0.207 9.139 -1.187 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.126 9.001 0.188 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.946 10.262 -1.419 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.790 10.001 0.748 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.299 10.781 -0.248 1.00 0.00 N ATOM 0 H HIS A 39 1.082 9.817 -4.431 1.00 0.00 H new ATOM 0 HA HIS A 39 2.425 8.875 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.272 7.925 -2.934 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.661 7.243 -1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.201 10.661 -2.390 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.908 10.169 1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.858 11.624 -0.116 1.00 0.00 H new ATOM 591 N ASN A 40 2.524 6.462 -3.226 1.00 0.00 N ATOM 592 CA ASN A 40 3.126 5.396 -4.010 1.00 0.00 C ATOM 593 C ASN A 40 2.824 4.049 -3.348 1.00 0.00 C ATOM 594 O ASN A 40 2.047 3.982 -2.396 1.00 0.00 O ATOM 595 CB ASN A 40 4.646 5.556 -4.082 1.00 0.00 C ATOM 596 CG ASN A 40 5.290 5.315 -2.715 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.625 5.214 -1.697 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.616 5.230 -2.749 1.00 0.00 N ATOM 0 H ASN A 40 2.237 6.190 -2.286 1.00 0.00 H new ATOM 0 HA ASN A 40 2.710 5.442 -5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.055 4.854 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.893 6.558 -4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.139 5.071 -1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.110 5.324 -3.636 1.00 0.00 H new ATOM 605 N VAL A 41 3.454 3.012 -3.878 1.00 0.00 N ATOM 606 CA VAL A 41 3.262 1.672 -3.351 1.00 0.00 C ATOM 607 C VAL A 41 4.618 0.971 -3.246 1.00 0.00 C ATOM 608 O VAL A 41 5.061 0.321 -4.193 1.00 0.00 O ATOM 609 CB VAL A 41 2.260 0.906 -4.218 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.203 -0.569 -3.818 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.873 1.548 -4.148 1.00 0.00 C ATOM 0 H VAL A 41 4.098 3.072 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 41 2.838 1.714 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 41 2.602 0.958 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.483 -1.090 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.188 -1.018 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.897 -0.652 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.180 0.985 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.520 1.541 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.930 2.576 -4.505 1.00 0.00 H new ATOM 621 N ILE A 42 5.240 1.127 -2.087 1.00 0.00 N ATOM 622 CA ILE A 42 6.538 0.517 -1.845 1.00 0.00 C ATOM 623 C ILE A 42 6.431 -0.446 -0.661 1.00 0.00 C ATOM 624 O ILE A 42 6.226 -0.019 0.474 1.00 0.00 O ATOM 625 CB ILE A 42 7.611 1.592 -1.670 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.538 2.629 -2.793 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.001 0.966 -1.557 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.071 2.053 -4.106 1.00 0.00 C ATOM 0 H ILE A 42 4.870 1.667 -1.305 1.00 0.00 H new ATOM 0 HA ILE A 42 6.849 -0.072 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 42 7.418 2.117 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.506 2.954 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.117 3.511 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.745 1.753 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.031 0.299 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.219 0.399 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.008 2.810 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.110 1.752 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.475 1.186 -4.392 1.00 0.00 H new ATOM 640 N PHE A 43 6.576 -1.727 -0.966 1.00 0.00 N ATOM 641 CA PHE A 43 6.499 -2.754 0.059 1.00 0.00 C ATOM 642 C PHE A 43 7.791 -2.809 0.877 1.00 0.00 C ATOM 643 O PHE A 43 8.834 -2.338 0.429 1.00 0.00 O ATOM 644 CB PHE A 43 6.307 -4.091 -0.660 1.00 0.00 C ATOM 645 CG PHE A 43 4.924 -4.264 -1.291 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.897 -4.765 -0.554 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.722 -3.918 -2.591 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.614 -4.926 -1.140 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.439 -4.080 -3.177 1.00 0.00 C ATOM 650 CZ PHE A 43 2.412 -4.580 -2.440 1.00 0.00 C ATOM 0 H PHE A 43 6.746 -2.077 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 43 5.677 -2.538 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.065 -4.186 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.475 -4.901 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.057 -5.041 0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.537 -3.520 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.798 -5.323 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.279 -3.806 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.436 -4.702 -2.886 1.00 0.00 H new ATOM 660 N ASP A 44 7.677 -3.389 2.064 1.00 0.00 N ATOM 661 CA ASP A 44 8.822 -3.513 2.948 1.00 0.00 C ATOM 662 C ASP A 44 9.519 -4.851 2.692 1.00 0.00 C ATOM 663 O ASP A 44 10.736 -4.899 2.520 1.00 0.00 O ATOM 664 CB ASP A 44 8.391 -3.478 4.416 1.00 0.00 C ATOM 665 CG ASP A 44 9.343 -2.729 5.352 1.00 0.00 C ATOM 666 OD1 ASP A 44 9.820 -1.653 4.934 1.00 0.00 O ATOM 667 OD2 ASP A 44 9.570 -3.250 6.465 1.00 0.00 O ATOM 0 H ASP A 44 6.809 -3.778 2.433 1.00 0.00 H new ATOM 0 HA ASP A 44 9.493 -2.677 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.406 -3.016 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.286 -4.503 4.773 1.00 0.00 H new ATOM 672 N LYS A 45 8.716 -5.905 2.675 1.00 0.00 N ATOM 673 CA LYS A 45 9.239 -7.240 2.443 1.00 0.00 C ATOM 674 C LYS A 45 8.153 -8.271 2.758 1.00 0.00 C ATOM 675 O LYS A 45 7.365 -8.085 3.684 1.00 0.00 O ATOM 676 CB LYS A 45 10.535 -7.453 3.228 1.00 0.00 C ATOM 677 CG LYS A 45 11.735 -7.566 2.285 1.00 0.00 C ATOM 678 CD LYS A 45 12.892 -8.307 2.958 1.00 0.00 C ATOM 679 CE LYS A 45 14.023 -7.343 3.323 1.00 0.00 C ATOM 680 NZ LYS A 45 14.938 -7.966 4.305 1.00 0.00 N ATOM 0 H LYS A 45 7.707 -5.861 2.818 1.00 0.00 H new ATOM 0 HA LYS A 45 9.505 -7.367 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.687 -6.623 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.455 -8.358 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.440 -8.092 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.061 -6.570 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.533 -8.809 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.270 -9.081 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.577 -7.066 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.607 -6.425 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.700 -7.299 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.409 -8.208 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.349 -8.830 3.897 1.00 0.00 H new ATOM 694 N VAL A 46 8.146 -9.336 1.970 1.00 0.00 N ATOM 695 CA VAL A 46 7.170 -10.396 2.153 1.00 0.00 C ATOM 696 C VAL A 46 7.900 -11.724 2.367 1.00 0.00 C ATOM 697 O VAL A 46 9.057 -11.870 1.978 1.00 0.00 O ATOM 698 CB VAL A 46 6.204 -10.429 0.967 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.612 -9.043 0.704 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.890 -10.979 -0.285 1.00 0.00 C ATOM 0 H VAL A 46 8.801 -9.487 1.203 1.00 0.00 H new ATOM 0 HA VAL A 46 6.566 -10.210 3.041 1.00 0.00 H new ATOM 0 HB VAL A 46 5.384 -11.101 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.929 -9.094 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.070 -8.705 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.415 -8.341 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.181 -10.991 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.738 -10.345 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.240 -11.993 -0.092 1.00 0.00 H new ATOM 710 N PRO A 47 7.174 -12.683 3.001 1.00 0.00 N ATOM 711 CA PRO A 47 7.739 -13.994 3.271 1.00 0.00 C ATOM 712 C PRO A 47 7.803 -14.837 1.995 1.00 0.00 C ATOM 713 O PRO A 47 7.151 -14.518 1.002 1.00 0.00 O ATOM 714 CB PRO A 47 6.841 -14.598 4.337 1.00 0.00 C ATOM 715 CG PRO A 47 5.545 -13.804 4.290 1.00 0.00 C ATOM 716 CD PRO A 47 5.800 -12.546 3.476 1.00 0.00 C ATOM 0 HA PRO A 47 8.770 -13.943 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.659 -15.655 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.304 -14.531 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.750 -14.397 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.218 -13.547 5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.100 -12.464 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.679 -11.650 4.084 1.00 0.00 H new ATOM 724 N ALA A 48 8.595 -15.896 2.064 1.00 0.00 N ATOM 725 CA ALA A 48 8.753 -16.788 0.928 1.00 0.00 C ATOM 726 C ALA A 48 7.397 -16.987 0.248 1.00 0.00 C ATOM 727 O ALA A 48 6.405 -17.286 0.911 1.00 0.00 O ATOM 728 CB ALA A 48 9.371 -18.108 1.395 1.00 0.00 C ATOM 0 H ALA A 48 9.135 -16.157 2.889 1.00 0.00 H new ATOM 0 HA ALA A 48 9.430 -16.354 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.489 -18.776 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.346 -17.915 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.719 -18.574 2.134 1.00 0.00 H new ATOM 734 N GLY A 49 7.397 -16.814 -1.065 1.00 0.00 N ATOM 735 CA GLY A 49 6.178 -16.971 -1.841 1.00 0.00 C ATOM 736 C GLY A 49 6.033 -15.844 -2.866 1.00 0.00 C ATOM 737 O GLY A 49 6.085 -16.086 -4.072 1.00 0.00 O ATOM 0 H GLY A 49 8.222 -16.567 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.189 -17.934 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.316 -16.974 -1.174 1.00 0.00 H new ATOM 741 N GLU A 50 5.851 -14.638 -2.351 1.00 0.00 N ATOM 742 CA GLU A 50 5.697 -13.473 -3.206 1.00 0.00 C ATOM 743 C GLU A 50 7.033 -12.741 -3.350 1.00 0.00 C ATOM 744 O GLU A 50 8.057 -13.206 -2.853 1.00 0.00 O ATOM 745 CB GLU A 50 4.614 -12.537 -2.668 1.00 0.00 C ATOM 746 CG GLU A 50 3.498 -12.340 -3.696 1.00 0.00 C ATOM 747 CD GLU A 50 3.801 -11.153 -4.613 1.00 0.00 C ATOM 748 OE1 GLU A 50 3.766 -10.015 -4.097 1.00 0.00 O ATOM 749 OE2 GLU A 50 4.061 -11.410 -5.808 1.00 0.00 O ATOM 0 H GLU A 50 5.807 -14.441 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 50 5.381 -13.810 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.198 -12.948 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.055 -11.573 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.384 -13.245 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.551 -12.175 -3.183 1.00 0.00 H new ATOM 756 N SER A 51 6.978 -11.607 -4.034 1.00 0.00 N ATOM 757 CA SER A 51 8.171 -10.806 -4.251 1.00 0.00 C ATOM 758 C SER A 51 7.881 -9.338 -3.928 1.00 0.00 C ATOM 759 O SER A 51 7.672 -8.531 -4.832 1.00 0.00 O ATOM 760 CB SER A 51 8.673 -10.944 -5.690 1.00 0.00 C ATOM 761 OG SER A 51 10.001 -11.457 -5.745 1.00 0.00 O ATOM 0 H SER A 51 6.126 -11.224 -4.445 1.00 0.00 H new ATOM 0 HA SER A 51 8.954 -11.170 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.006 -11.604 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.640 -9.971 -6.181 1.00 0.00 H new ATOM 0 HG SER A 51 10.284 -11.532 -6.680 1.00 0.00 H new ATOM 767 N ALA A 52 7.878 -9.039 -2.638 1.00 0.00 N ATOM 768 CA ALA A 52 7.617 -7.683 -2.184 1.00 0.00 C ATOM 769 C ALA A 52 8.587 -6.723 -2.876 1.00 0.00 C ATOM 770 O ALA A 52 8.168 -5.731 -3.469 1.00 0.00 O ATOM 771 CB ALA A 52 7.726 -7.625 -0.660 1.00 0.00 C ATOM 0 H ALA A 52 8.052 -9.712 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 52 6.605 -7.377 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.530 -6.608 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.996 -8.303 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.729 -7.923 -0.355 1.00 0.00 H new ATOM 777 N PRO A 53 9.901 -7.062 -2.774 1.00 0.00 N ATOM 778 CA PRO A 53 10.935 -6.242 -3.383 1.00 0.00 C ATOM 779 C PRO A 53 10.966 -6.436 -4.901 1.00 0.00 C ATOM 780 O PRO A 53 12.022 -6.695 -5.475 1.00 0.00 O ATOM 781 CB PRO A 53 12.226 -6.667 -2.703 1.00 0.00 C ATOM 782 CG PRO A 53 11.940 -8.024 -2.079 1.00 0.00 C ATOM 783 CD PRO A 53 10.434 -8.230 -2.081 1.00 0.00 C ATOM 0 HA PRO A 53 10.761 -5.175 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.043 -6.732 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.525 -5.943 -1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.434 -8.815 -2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.330 -8.066 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.161 -9.153 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.043 -8.301 -1.066 1.00 0.00 H new ATOM 791 N ALA A 54 9.795 -6.304 -5.507 1.00 0.00 N ATOM 792 CA ALA A 54 9.675 -6.462 -6.945 1.00 0.00 C ATOM 793 C ALA A 54 8.429 -5.721 -7.434 1.00 0.00 C ATOM 794 O ALA A 54 8.481 -5.003 -8.432 1.00 0.00 O ATOM 795 CB ALA A 54 9.641 -7.952 -7.295 1.00 0.00 C ATOM 0 H ALA A 54 8.921 -6.089 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 54 10.537 -6.027 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.551 -8.070 -8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.561 -8.427 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.787 -8.421 -6.806 1.00 0.00 H new ATOM 801 N LEU A 55 7.340 -5.917 -6.707 1.00 0.00 N ATOM 802 CA LEU A 55 6.083 -5.276 -7.054 1.00 0.00 C ATOM 803 C LEU A 55 6.186 -3.776 -6.773 1.00 0.00 C ATOM 804 O LEU A 55 5.587 -2.966 -7.478 1.00 0.00 O ATOM 805 CB LEU A 55 4.917 -5.957 -6.335 1.00 0.00 C ATOM 806 CG LEU A 55 4.282 -7.145 -7.061 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.188 -7.788 -6.208 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.765 -6.731 -8.440 1.00 0.00 C ATOM 0 H LEU A 55 7.301 -6.511 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 55 5.880 -5.389 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.266 -6.297 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.143 -5.211 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 55 5.052 -7.900 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.753 -8.629 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.618 -8.141 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.412 -7.052 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.319 -7.593 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.015 -5.948 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.593 -6.356 -9.041 1.00 0.00 H new ATOM 820 N SER A 56 6.951 -3.451 -5.741 1.00 0.00 N ATOM 821 CA SER A 56 7.142 -2.062 -5.358 1.00 0.00 C ATOM 822 C SER A 56 7.363 -1.202 -6.603 1.00 0.00 C ATOM 823 O SER A 56 8.288 -1.449 -7.376 1.00 0.00 O ATOM 824 CB SER A 56 8.319 -1.912 -4.393 1.00 0.00 C ATOM 825 OG SER A 56 8.439 -3.034 -3.520 1.00 0.00 O ATOM 0 H SER A 56 7.446 -4.126 -5.158 1.00 0.00 H new ATOM 0 HA SER A 56 6.242 -1.723 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.242 -1.794 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.191 -1.005 -3.802 1.00 0.00 H new ATOM 0 HG SER A 56 9.203 -2.902 -2.920 1.00 0.00 H new ATOM 831 N ASN A 57 6.500 -0.209 -6.759 1.00 0.00 N ATOM 832 CA ASN A 57 6.590 0.691 -7.897 1.00 0.00 C ATOM 833 C ASN A 57 6.687 2.132 -7.396 1.00 0.00 C ATOM 834 O ASN A 57 5.861 2.573 -6.598 1.00 0.00 O ATOM 835 CB ASN A 57 5.350 0.580 -8.786 1.00 0.00 C ATOM 836 CG ASN A 57 5.598 1.216 -10.155 1.00 0.00 C ATOM 837 OD1 ASN A 57 6.614 1.845 -10.400 1.00 0.00 O ATOM 838 ND2 ASN A 57 4.616 1.019 -11.029 1.00 0.00 N ATOM 0 H ASN A 57 5.734 -0.007 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 57 7.473 0.417 -8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.081 -0.469 -8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.506 1.070 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.686 1.405 -11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.792 0.482 -10.758 1.00 0.00 H new ATOM 845 N THR A 58 7.703 2.829 -7.885 1.00 0.00 N ATOM 846 CA THR A 58 7.917 4.213 -7.497 1.00 0.00 C ATOM 847 C THR A 58 7.196 5.155 -8.463 1.00 0.00 C ATOM 848 O THR A 58 7.670 6.258 -8.729 1.00 0.00 O ATOM 849 CB THR A 58 9.426 4.455 -7.425 1.00 0.00 C ATOM 850 OG1 THR A 58 9.541 5.809 -6.996 1.00 0.00 O ATOM 851 CG2 THR A 58 10.088 4.442 -8.804 1.00 0.00 C ATOM 0 H THR A 58 8.387 2.461 -8.546 1.00 0.00 H new ATOM 0 HA THR A 58 7.493 4.419 -6.514 1.00 0.00 H new ATOM 0 HB THR A 58 9.886 3.693 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.066 6.393 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.158 4.618 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.926 3.473 -9.276 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.652 5.225 -9.424 1.00 0.00 H new ATOM 859 N LYS A 59 6.062 4.687 -8.960 1.00 0.00 N ATOM 860 CA LYS A 59 5.270 5.475 -9.890 1.00 0.00 C ATOM 861 C LYS A 59 4.302 6.360 -9.105 1.00 0.00 C ATOM 862 O LYS A 59 3.092 6.141 -9.133 1.00 0.00 O ATOM 863 CB LYS A 59 4.583 4.565 -10.912 1.00 0.00 C ATOM 864 CG LYS A 59 4.635 5.178 -12.312 1.00 0.00 C ATOM 865 CD LYS A 59 3.567 4.563 -13.219 1.00 0.00 C ATOM 866 CE LYS A 59 3.571 5.226 -14.598 1.00 0.00 C ATOM 867 NZ LYS A 59 2.702 4.479 -15.535 1.00 0.00 N ATOM 0 H LYS A 59 5.672 3.772 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 59 5.911 6.140 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.068 3.589 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.545 4.402 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.485 6.256 -12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.622 5.019 -12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.747 3.493 -13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.585 4.677 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.224 6.256 -14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.588 5.263 -14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.716 4.942 -16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.050 3.503 -15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.728 4.466 -15.170 1.00 0.00 H new ATOM 881 N LEU A 60 4.870 7.345 -8.424 1.00 0.00 N ATOM 882 CA LEU A 60 4.071 8.265 -7.633 1.00 0.00 C ATOM 883 C LEU A 60 2.989 8.886 -8.519 1.00 0.00 C ATOM 884 O LEU A 60 3.287 9.425 -9.583 1.00 0.00 O ATOM 885 CB LEU A 60 4.968 9.297 -6.944 1.00 0.00 C ATOM 886 CG LEU A 60 6.347 8.800 -6.505 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.433 9.266 -7.477 1.00 0.00 C ATOM 888 CD2 LEU A 60 6.647 9.219 -5.065 1.00 0.00 C ATOM 0 H LEU A 60 5.874 7.526 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 60 3.560 7.733 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.106 10.139 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.444 9.676 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 60 6.341 7.710 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.403 8.899 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.222 8.876 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.449 10.355 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.633 8.853 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.627 10.306 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.895 8.796 -4.399 1.00 0.00 H new ATOM 900 N ALA A 61 1.755 8.790 -8.045 1.00 0.00 N ATOM 901 CA ALA A 61 0.627 9.335 -8.780 1.00 0.00 C ATOM 902 C ALA A 61 0.290 10.723 -8.234 1.00 0.00 C ATOM 903 O ALA A 61 -0.249 10.847 -7.135 1.00 0.00 O ATOM 904 CB ALA A 61 -0.556 8.370 -8.690 1.00 0.00 C ATOM 0 H ALA A 61 1.512 8.343 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 61 0.876 9.448 -9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.402 8.779 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.274 7.408 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.836 8.234 -7.645 1.00 0.00 H new ATOM 910 N ILE A 62 0.622 11.732 -9.026 1.00 0.00 N ATOM 911 CA ILE A 62 0.361 13.108 -8.635 1.00 0.00 C ATOM 912 C ILE A 62 -1.132 13.403 -8.789 1.00 0.00 C ATOM 913 O ILE A 62 -1.772 13.889 -7.858 1.00 0.00 O ATOM 914 CB ILE A 62 1.262 14.067 -9.416 1.00 0.00 C ATOM 915 CG1 ILE A 62 2.686 14.061 -8.854 1.00 0.00 C ATOM 916 CG2 ILE A 62 0.665 15.474 -9.450 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.280 12.653 -8.881 1.00 0.00 C ATOM 0 H ILE A 62 1.069 11.625 -9.936 1.00 0.00 H new ATOM 0 HA ILE A 62 0.609 13.259 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 62 1.321 13.718 -10.447 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.313 14.735 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.678 14.437 -7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.325 16.136 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.312 15.443 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.556 15.848 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.292 12.677 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.664 11.986 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.309 12.290 -9.908 1.00 0.00 H new ATOM 929 N ALA A 63 -1.643 13.097 -9.972 1.00 0.00 N ATOM 930 CA ALA A 63 -3.050 13.323 -10.260 1.00 0.00 C ATOM 931 C ALA A 63 -3.902 12.443 -9.345 1.00 0.00 C ATOM 932 O ALA A 63 -3.522 11.314 -9.034 1.00 0.00 O ATOM 933 CB ALA A 63 -3.317 13.054 -11.743 1.00 0.00 C ATOM 0 H ALA A 63 -1.109 12.695 -10.742 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.320 14.360 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.372 13.223 -11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.710 13.726 -12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.060 12.021 -11.977 1.00 0.00 H new ATOM 939 N PRO A 64 -5.067 13.005 -8.928 1.00 0.00 N ATOM 940 CA PRO A 64 -5.977 12.284 -8.055 1.00 0.00 C ATOM 941 C PRO A 64 -6.735 11.201 -8.826 1.00 0.00 C ATOM 942 O PRO A 64 -7.280 11.463 -9.897 1.00 0.00 O ATOM 943 CB PRO A 64 -6.892 13.349 -7.472 1.00 0.00 C ATOM 944 CG PRO A 64 -6.765 14.554 -8.390 1.00 0.00 C ATOM 945 CD PRO A 64 -5.550 14.339 -9.277 1.00 0.00 C ATOM 0 HA PRO A 64 -5.459 11.746 -7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.923 12.998 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.598 13.601 -6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.664 14.669 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.655 15.468 -7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.815 14.401 -10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.788 15.096 -9.095 1.00 0.00 H new ATOM 953 N GLY A 65 -6.746 10.008 -8.252 1.00 0.00 N ATOM 954 CA GLY A 65 -7.427 8.884 -8.873 1.00 0.00 C ATOM 955 C GLY A 65 -7.113 7.578 -8.139 1.00 0.00 C ATOM 956 O GLY A 65 -7.123 7.535 -6.910 1.00 0.00 O ATOM 0 H GLY A 65 -6.294 9.794 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.503 9.058 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.122 8.801 -9.916 1.00 0.00 H new ATOM 960 N SER A 66 -6.841 6.547 -8.925 1.00 0.00 N ATOM 961 CA SER A 66 -6.524 5.244 -8.365 1.00 0.00 C ATOM 962 C SER A 66 -5.260 4.686 -9.022 1.00 0.00 C ATOM 963 O SER A 66 -5.292 4.258 -10.175 1.00 0.00 O ATOM 964 CB SER A 66 -7.690 4.269 -8.545 1.00 0.00 C ATOM 965 OG SER A 66 -7.759 3.319 -7.485 1.00 0.00 O ATOM 0 H SER A 66 -6.833 6.587 -9.944 1.00 0.00 H new ATOM 0 HA SER A 66 -6.348 5.365 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.625 4.827 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.582 3.745 -9.495 1.00 0.00 H new ATOM 0 HG SER A 66 -6.891 3.271 -7.032 1.00 0.00 H new ATOM 971 N PHE A 67 -4.176 4.710 -8.260 1.00 0.00 N ATOM 972 CA PHE A 67 -2.904 4.212 -8.754 1.00 0.00 C ATOM 973 C PHE A 67 -3.102 2.976 -9.633 1.00 0.00 C ATOM 974 O PHE A 67 -2.962 3.047 -10.853 1.00 0.00 O ATOM 975 CB PHE A 67 -2.069 3.825 -7.531 1.00 0.00 C ATOM 976 CG PHE A 67 -1.322 4.998 -6.892 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.971 5.835 -6.039 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.007 5.201 -7.177 1.00 0.00 C ATOM 979 CE1 PHE A 67 -1.277 6.922 -5.446 1.00 0.00 C ATOM 980 CE2 PHE A 67 0.687 6.289 -6.583 1.00 0.00 C ATOM 981 CZ PHE A 67 0.038 7.126 -5.731 1.00 0.00 C ATOM 0 H PHE A 67 -4.153 5.066 -7.305 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.414 4.978 -9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.723 3.374 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.346 3.063 -7.823 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.014 5.673 -5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.508 4.536 -7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.792 7.587 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.731 6.451 -6.808 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.566 7.953 -5.280 1.00 0.00 H new ATOM 991 N TYR A 68 -3.426 1.869 -8.978 1.00 0.00 N ATOM 992 CA TYR A 68 -3.645 0.619 -9.684 1.00 0.00 C ATOM 993 C TYR A 68 -3.889 -0.529 -8.703 1.00 0.00 C ATOM 994 O TYR A 68 -3.786 -0.347 -7.492 1.00 0.00 O ATOM 995 CB TYR A 68 -2.358 0.343 -10.464 1.00 0.00 C ATOM 996 CG TYR A 68 -1.080 0.545 -9.645 1.00 0.00 C ATOM 997 CD1 TYR A 68 -0.847 -0.229 -8.526 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.160 1.501 -10.028 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.355 -0.038 -7.758 1.00 0.00 C ATOM 1000 CE2 TYR A 68 1.042 1.690 -9.258 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.239 0.912 -8.160 1.00 0.00 C ATOM 1002 OH TYR A 68 2.375 1.091 -7.434 1.00 0.00 O ATOM 0 H TYR A 68 -3.542 1.813 -7.966 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.518 0.693 -10.332 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.382 -0.682 -10.834 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.326 0.996 -11.336 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.566 -0.977 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.342 2.106 -10.904 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.550 -0.637 -6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.771 2.433 -9.546 1.00 0.00 H new ATOM 0 HH TYR A 68 2.573 2.048 -7.367 1.00 0.00 H new ATOM 1012 N SER A 69 -4.209 -1.686 -9.264 1.00 0.00 N ATOM 1013 CA SER A 69 -4.468 -2.864 -8.453 1.00 0.00 C ATOM 1014 C SER A 69 -3.438 -3.951 -8.765 1.00 0.00 C ATOM 1015 O SER A 69 -2.749 -3.886 -9.782 1.00 0.00 O ATOM 1016 CB SER A 69 -5.884 -3.393 -8.689 1.00 0.00 C ATOM 1017 OG SER A 69 -6.365 -3.072 -9.992 1.00 0.00 O ATOM 0 H SER A 69 -4.295 -1.833 -10.270 1.00 0.00 H new ATOM 0 HA SER A 69 -4.383 -2.582 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.894 -4.475 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.557 -2.974 -7.941 1.00 0.00 H new ATOM 0 HG SER A 69 -7.271 -3.429 -10.103 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.365 -4.927 -7.871 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.429 -6.026 -8.037 1.00 0.00 C ATOM 1025 C VAL A 70 -2.940 -7.245 -7.267 1.00 0.00 C ATOM 1026 O VAL A 70 -3.434 -7.114 -6.147 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.028 -5.591 -7.606 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.307 -4.860 -8.741 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.086 -4.725 -6.346 1.00 0.00 C ATOM 0 H VAL A 70 -3.939 -4.979 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.357 -6.311 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.457 -6.489 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.687 -4.562 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.218 -5.523 -9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.876 -3.974 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.076 -4.429 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.683 -3.835 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.540 -5.293 -5.534 1.00 0.00 H new ATOM 1039 N THR A 71 -2.806 -8.402 -7.898 1.00 0.00 N ATOM 1040 CA THR A 71 -3.248 -9.644 -7.285 1.00 0.00 C ATOM 1041 C THR A 71 -2.061 -10.385 -6.666 1.00 0.00 C ATOM 1042 O THR A 71 -0.928 -10.239 -7.120 1.00 0.00 O ATOM 1043 CB THR A 71 -3.986 -10.459 -8.349 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.061 -9.614 -8.750 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.679 -11.692 -7.766 1.00 0.00 C ATOM 0 H THR A 71 -2.398 -8.506 -8.827 1.00 0.00 H new ATOM 0 HA THR A 71 -3.938 -9.456 -6.462 1.00 0.00 H new ATOM 0 HB THR A 71 -3.282 -10.769 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.591 -10.065 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.187 -12.235 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.937 -12.341 -7.301 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.407 -11.380 -7.017 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.363 -11.166 -5.639 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.336 -11.932 -4.954 1.00 0.00 C ATOM 1055 C LEU A 72 -1.716 -13.412 -4.963 1.00 0.00 C ATOM 1056 O LEU A 72 -2.840 -13.766 -5.318 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.093 -11.367 -3.552 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.449 -9.981 -3.489 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.209 -9.067 -2.526 1.00 0.00 C ATOM 1060 CD2 LEU A 72 1.036 -10.083 -3.131 1.00 0.00 C ATOM 0 H LEU A 72 -3.304 -11.285 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.384 -11.846 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.048 -11.326 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.459 -12.065 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.512 -9.529 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.731 -8.088 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.239 -8.958 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.199 -9.503 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.470 -9.084 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.144 -10.563 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.553 -10.675 -3.887 1.00 0.00 H new ATOM 1072 N GLY A 73 -0.759 -14.240 -4.570 1.00 0.00 N ATOM 1073 CA GLY A 73 -0.981 -15.676 -4.529 1.00 0.00 C ATOM 1074 C GLY A 73 -0.030 -16.349 -3.536 1.00 0.00 C ATOM 1075 O GLY A 73 0.523 -17.409 -3.823 1.00 0.00 O ATOM 0 H GLY A 73 0.172 -13.944 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.013 -15.880 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.834 -16.099 -5.523 1.00 0.00 H new ATOM 1079 N THR A 74 0.130 -15.704 -2.390 1.00 0.00 N ATOM 1080 CA THR A 74 1.005 -16.227 -1.353 1.00 0.00 C ATOM 1081 C THR A 74 0.448 -15.894 0.032 1.00 0.00 C ATOM 1082 O THR A 74 0.131 -14.741 0.317 1.00 0.00 O ATOM 1083 CB THR A 74 2.409 -15.670 -1.594 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.007 -16.607 -2.486 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.287 -15.735 -0.342 1.00 0.00 C ATOM 0 H THR A 74 -0.331 -14.825 -2.156 1.00 0.00 H new ATOM 0 HA THR A 74 1.060 -17.315 -1.393 1.00 0.00 H new ATOM 0 HB THR A 74 2.336 -14.637 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.306 -17.079 -2.982 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.273 -15.328 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.827 -15.152 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.388 -16.772 -0.022 1.00 0.00 H new ATOM 1093 N PRO A 75 0.342 -16.954 0.879 1.00 0.00 N ATOM 1094 CA PRO A 75 -0.171 -16.785 2.228 1.00 0.00 C ATOM 1095 C PRO A 75 0.870 -16.123 3.132 1.00 0.00 C ATOM 1096 O PRO A 75 2.061 -16.409 3.025 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.548 -18.186 2.683 1.00 0.00 C ATOM 1098 CG PRO A 75 0.195 -19.138 1.760 1.00 0.00 C ATOM 1099 CD PRO A 75 0.707 -18.334 0.575 1.00 0.00 C ATOM 0 HA PRO A 75 -1.034 -16.121 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.264 -18.349 3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.625 -18.341 2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.024 -19.611 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.466 -19.936 1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.785 -18.442 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.251 -18.668 -0.357 1.00 0.00 H new ATOM 1107 N GLY A 76 0.382 -15.249 4.001 1.00 0.00 N ATOM 1108 CA GLY A 76 1.255 -14.543 4.922 1.00 0.00 C ATOM 1109 C GLY A 76 0.839 -13.077 5.058 1.00 0.00 C ATOM 1110 O GLY A 76 -0.125 -12.641 4.432 1.00 0.00 O ATOM 0 H GLY A 76 -0.607 -15.014 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.225 -15.025 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.285 -14.601 4.569 1.00 0.00 H new ATOM 1114 N THR A 77 1.587 -12.356 5.881 1.00 0.00 N ATOM 1115 CA THR A 77 1.307 -10.949 6.107 1.00 0.00 C ATOM 1116 C THR A 77 2.347 -10.078 5.398 1.00 0.00 C ATOM 1117 O THR A 77 3.545 -10.213 5.642 1.00 0.00 O ATOM 1118 CB THR A 77 1.248 -10.715 7.618 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.522 -9.497 7.753 1.00 0.00 O ATOM 1120 CG2 THR A 77 2.620 -10.399 8.216 1.00 0.00 C ATOM 0 H THR A 77 2.386 -12.720 6.399 1.00 0.00 H new ATOM 0 HA THR A 77 0.345 -10.664 5.681 1.00 0.00 H new ATOM 0 HB THR A 77 0.834 -11.598 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.436 -9.271 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.521 -10.242 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.298 -11.233 8.032 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.020 -9.497 7.753 1.00 0.00 H new ATOM 1128 N TYR A 78 1.850 -9.204 4.534 1.00 0.00 N ATOM 1129 CA TYR A 78 2.721 -8.312 3.789 1.00 0.00 C ATOM 1130 C TYR A 78 2.824 -6.947 4.473 1.00 0.00 C ATOM 1131 O TYR A 78 1.858 -6.473 5.069 1.00 0.00 O ATOM 1132 CB TYR A 78 2.066 -8.133 2.417 1.00 0.00 C ATOM 1133 CG TYR A 78 1.916 -9.433 1.626 1.00 0.00 C ATOM 1134 CD1 TYR A 78 2.816 -10.462 1.812 1.00 0.00 C ATOM 1135 CD2 TYR A 78 0.880 -9.576 0.725 1.00 0.00 C ATOM 1136 CE1 TYR A 78 2.675 -11.686 1.066 1.00 0.00 C ATOM 1137 CE2 TYR A 78 0.739 -10.800 -0.022 1.00 0.00 C ATOM 1138 CZ TYR A 78 1.643 -11.794 0.186 1.00 0.00 C ATOM 1139 OH TYR A 78 1.509 -12.950 -0.518 1.00 0.00 O ATOM 0 H TYR A 78 0.856 -9.095 4.334 1.00 0.00 H new ATOM 0 HA TYR A 78 3.727 -8.726 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.081 -7.686 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.658 -7.430 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.626 -10.350 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.175 -8.771 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.372 -12.499 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.066 -10.925 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 78 0.634 -13.349 -0.329 1.00 0.00 H new ATOM 1149 N SER A 79 4.005 -6.354 4.365 1.00 0.00 N ATOM 1150 CA SER A 79 4.246 -5.054 4.967 1.00 0.00 C ATOM 1151 C SER A 79 4.731 -4.067 3.903 1.00 0.00 C ATOM 1152 O SER A 79 5.551 -4.417 3.056 1.00 0.00 O ATOM 1153 CB SER A 79 5.266 -5.154 6.103 1.00 0.00 C ATOM 1154 OG SER A 79 6.087 -6.311 5.983 1.00 0.00 O ATOM 0 H SER A 79 4.804 -6.750 3.870 1.00 0.00 H new ATOM 0 HA SER A 79 3.308 -4.692 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.894 -4.263 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.743 -5.178 7.059 1.00 0.00 H new ATOM 0 HG SER A 79 6.726 -6.337 6.726 1.00 0.00 H new ATOM 1160 N PHE A 80 4.205 -2.854 3.982 1.00 0.00 N ATOM 1161 CA PHE A 80 4.574 -1.815 3.037 1.00 0.00 C ATOM 1162 C PHE A 80 4.578 -0.440 3.707 1.00 0.00 C ATOM 1163 O PHE A 80 4.271 -0.322 4.892 1.00 0.00 O ATOM 1164 CB PHE A 80 3.521 -1.825 1.927 1.00 0.00 C ATOM 1165 CG PHE A 80 2.089 -2.014 2.430 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.647 -3.252 2.778 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.256 -0.943 2.531 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.319 -3.428 3.245 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.073 -1.118 2.998 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.514 -2.357 3.345 1.00 0.00 C ATOM 0 H PHE A 80 3.526 -2.567 4.687 1.00 0.00 H new ATOM 0 HA PHE A 80 5.575 -2.004 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.581 -0.887 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.757 -2.624 1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.308 -4.103 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.606 0.041 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.031 -4.412 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.734 -0.268 3.078 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.525 -2.491 3.700 1.00 0.00 H new ATOM 1180 N TYR A 81 4.930 0.567 2.920 1.00 0.00 N ATOM 1181 CA TYR A 81 4.979 1.929 3.422 1.00 0.00 C ATOM 1182 C TYR A 81 4.798 2.939 2.287 1.00 0.00 C ATOM 1183 O TYR A 81 4.724 2.559 1.120 1.00 0.00 O ATOM 1184 CB TYR A 81 6.372 2.105 4.028 1.00 0.00 C ATOM 1185 CG TYR A 81 7.515 1.736 3.079 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.837 2.571 2.029 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.223 0.567 3.274 1.00 0.00 C ATOM 1188 CE1 TYR A 81 8.912 2.224 1.136 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.298 0.220 2.381 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.589 1.064 1.356 1.00 0.00 C ATOM 1191 OH TYR A 81 10.604 0.737 0.513 1.00 0.00 O ATOM 0 H TYR A 81 5.184 0.466 1.937 1.00 0.00 H new ATOM 0 HA TYR A 81 4.183 2.100 4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.493 3.142 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.447 1.492 4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.283 3.485 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.971 -0.087 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.175 2.869 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.861 -0.691 2.523 1.00 0.00 H new ATOM 0 HH TYR A 81 10.998 -0.116 0.791 1.00 0.00 H new ATOM 1201 N CYS A 82 4.731 4.205 2.670 1.00 0.00 N ATOM 1202 CA CYS A 82 4.559 5.272 1.700 1.00 0.00 C ATOM 1203 C CYS A 82 5.707 6.269 1.873 1.00 0.00 C ATOM 1204 O CYS A 82 5.672 7.112 2.767 1.00 0.00 O ATOM 1205 CB CYS A 82 3.192 5.947 1.837 1.00 0.00 C ATOM 1206 SG CYS A 82 3.021 7.524 0.924 1.00 0.00 S ATOM 0 H CYS A 82 4.793 4.516 3.639 1.00 0.00 H new ATOM 0 HA CYS A 82 4.587 4.858 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.425 5.256 1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.998 6.132 2.893 1.00 0.00 H new ATOM 1211 N THR A 83 6.698 6.137 1.004 1.00 0.00 N ATOM 1212 CA THR A 83 7.856 7.015 1.049 1.00 0.00 C ATOM 1213 C THR A 83 7.458 8.394 1.580 1.00 0.00 C ATOM 1214 O THR A 83 7.989 8.850 2.592 1.00 0.00 O ATOM 1215 CB THR A 83 8.472 7.057 -0.351 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.637 6.243 -0.242 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.017 8.442 -0.708 1.00 0.00 C ATOM 0 H THR A 83 6.724 5.435 0.264 1.00 0.00 H new ATOM 0 HA THR A 83 8.611 6.640 1.740 1.00 0.00 H new ATOM 0 HB THR A 83 7.724 6.760 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.097 6.213 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.443 8.418 -1.711 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.207 9.171 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.789 8.725 0.007 1.00 0.00 H new ATOM 1225 N PRO A 84 6.503 9.036 0.856 1.00 0.00 N ATOM 1226 CA PRO A 84 6.028 10.353 1.244 1.00 0.00 C ATOM 1227 C PRO A 84 5.099 10.265 2.456 1.00 0.00 C ATOM 1228 O PRO A 84 4.191 9.437 2.489 1.00 0.00 O ATOM 1229 CB PRO A 84 5.339 10.903 0.006 1.00 0.00 C ATOM 1230 CG PRO A 84 5.045 9.700 -0.876 1.00 0.00 C ATOM 1231 CD PRO A 84 5.851 8.526 -0.347 1.00 0.00 C ATOM 0 HA PRO A 84 6.834 11.014 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.421 11.427 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.978 11.619 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.980 9.468 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.313 9.911 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.209 7.675 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.583 8.186 -1.080 1.00 0.00 H new ATOM 1239 N HIS A 85 5.358 11.133 3.423 1.00 0.00 N ATOM 1240 CA HIS A 85 4.557 11.165 4.635 1.00 0.00 C ATOM 1241 C HIS A 85 5.017 10.057 5.584 1.00 0.00 C ATOM 1242 O HIS A 85 4.521 9.947 6.705 1.00 0.00 O ATOM 1243 CB HIS A 85 3.066 11.079 4.303 1.00 0.00 C ATOM 1244 CG HIS A 85 2.724 11.514 2.898 1.00 0.00 C ATOM 1245 ND1 HIS A 85 1.862 10.801 2.081 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.135 12.594 2.174 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.768 11.433 0.920 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.558 12.544 0.980 1.00 0.00 N ATOM 0 H HIS A 85 6.112 11.820 3.392 1.00 0.00 H new ATOM 0 HA HIS A 85 4.702 12.117 5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.731 10.052 4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.511 11.697 5.009 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.815 13.361 2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.171 11.123 0.075 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.684 13.224 0.230 1.00 0.00 H new ATOM 1256 N ARG A 86 5.961 9.262 5.101 1.00 0.00 N ATOM 1257 CA ARG A 86 6.494 8.167 5.893 1.00 0.00 C ATOM 1258 C ARG A 86 6.721 8.616 7.338 1.00 0.00 C ATOM 1259 O ARG A 86 6.430 7.875 8.275 1.00 0.00 O ATOM 1260 CB ARG A 86 7.816 7.659 5.310 1.00 0.00 C ATOM 1261 CG ARG A 86 8.834 8.793 5.193 1.00 0.00 C ATOM 1262 CD ARG A 86 10.111 8.314 4.499 1.00 0.00 C ATOM 1263 NE ARG A 86 11.212 9.272 4.747 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.465 9.107 4.303 1.00 0.00 C ATOM 1265 NH1 ARG A 86 12.785 8.021 3.584 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.400 10.027 4.576 1.00 0.00 N ATOM 0 H ARG A 86 6.370 9.355 4.171 1.00 0.00 H new ATOM 0 HA ARG A 86 5.765 7.357 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.218 6.869 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.640 7.221 4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.399 9.620 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.076 9.173 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.387 7.326 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.938 8.216 3.427 1.00 0.00 H new ATOM 0 HE ARG A 86 11.003 10.110 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.074 7.320 3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.739 7.896 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.158 10.854 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.354 9.901 4.238 1.00 0.00 H new ATOM 1280 N GLY A 87 7.236 9.829 7.473 1.00 0.00 N ATOM 1281 CA GLY A 87 7.505 10.386 8.787 1.00 0.00 C ATOM 1282 C GLY A 87 6.203 10.656 9.544 1.00 0.00 C ATOM 1283 O GLY A 87 6.137 10.469 10.759 1.00 0.00 O ATOM 0 H GLY A 87 7.474 10.442 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.126 9.696 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.069 11.313 8.685 1.00 0.00 H new ATOM 1287 N ALA A 88 5.200 11.092 8.796 1.00 0.00 N ATOM 1288 CA ALA A 88 3.904 11.389 9.382 1.00 0.00 C ATOM 1289 C ALA A 88 3.305 10.106 9.961 1.00 0.00 C ATOM 1290 O ALA A 88 2.349 10.157 10.734 1.00 0.00 O ATOM 1291 CB ALA A 88 3.001 12.029 8.326 1.00 0.00 C ATOM 0 H ALA A 88 5.259 11.247 7.790 1.00 0.00 H new ATOM 0 HA ALA A 88 4.007 12.103 10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.029 12.252 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.457 12.952 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.873 11.340 7.491 1.00 0.00 H new ATOM 1297 N GLY A 89 3.890 8.985 9.564 1.00 0.00 N ATOM 1298 CA GLY A 89 3.426 7.692 10.035 1.00 0.00 C ATOM 1299 C GLY A 89 2.361 7.118 9.098 1.00 0.00 C ATOM 1300 O GLY A 89 1.167 7.205 9.383 1.00 0.00 O ATOM 0 H GLY A 89 4.681 8.946 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.267 7.002 10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.016 7.793 11.040 1.00 0.00 H new ATOM 1304 N MET A 90 2.830 6.544 8.001 1.00 0.00 N ATOM 1305 CA MET A 90 1.933 5.957 7.021 1.00 0.00 C ATOM 1306 C MET A 90 2.367 4.534 6.662 1.00 0.00 C ATOM 1307 O MET A 90 3.075 4.327 5.678 1.00 0.00 O ATOM 1308 CB MET A 90 1.920 6.820 5.758 1.00 0.00 C ATOM 1309 CG MET A 90 0.905 6.291 4.742 1.00 0.00 C ATOM 1310 SD MET A 90 0.082 7.653 3.933 1.00 0.00 S ATOM 1311 CE MET A 90 -0.503 6.831 2.462 1.00 0.00 C ATOM 0 H MET A 90 3.821 6.473 7.769 1.00 0.00 H new ATOM 0 HA MET A 90 0.933 5.914 7.453 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.675 7.850 6.019 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.914 6.832 5.311 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.409 5.669 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.172 5.659 5.243 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.352 7.378 2.053 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.297 6.796 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.812 5.816 2.711 1.00 0.00 H new ATOM 1321 N VAL A 91 1.926 3.591 7.481 1.00 0.00 N ATOM 1322 CA VAL A 91 2.260 2.194 7.263 1.00 0.00 C ATOM 1323 C VAL A 91 0.972 1.372 7.182 1.00 0.00 C ATOM 1324 O VAL A 91 -0.017 1.697 7.836 1.00 0.00 O ATOM 1325 CB VAL A 91 3.212 1.707 8.357 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.570 2.406 8.254 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.600 1.902 9.745 1.00 0.00 C ATOM 0 H VAL A 91 1.340 3.767 8.297 1.00 0.00 H new ATOM 0 HA VAL A 91 2.784 2.070 6.315 1.00 0.00 H new ATOM 0 HB VAL A 91 3.372 0.639 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.228 2.042 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.016 2.193 7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.435 3.482 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.298 1.547 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.395 2.960 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.670 1.337 9.815 1.00 0.00 H new ATOM 1337 N GLY A 92 1.027 0.323 6.375 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.123 -0.548 6.200 1.00 0.00 C ATOM 1339 C GLY A 92 0.310 -2.011 6.086 1.00 0.00 C ATOM 1340 O GLY A 92 1.469 -2.299 5.792 1.00 0.00 O ATOM 0 H GLY A 92 1.850 0.056 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.804 -0.431 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.672 -0.256 5.304 1.00 0.00 H new ATOM 1344 N THR A 93 -0.645 -2.898 6.323 1.00 0.00 N ATOM 1345 CA THR A 93 -0.377 -4.324 6.251 1.00 0.00 C ATOM 1346 C THR A 93 -1.424 -5.020 5.377 1.00 0.00 C ATOM 1347 O THR A 93 -2.558 -4.556 5.274 1.00 0.00 O ATOM 1348 CB THR A 93 -0.320 -4.868 7.680 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.038 -3.736 8.468 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.837 -5.847 7.887 1.00 0.00 C ATOM 0 H THR A 93 -1.606 -2.656 6.565 1.00 0.00 H new ATOM 0 HA THR A 93 0.583 -4.522 5.774 1.00 0.00 H new ATOM 0 HB THR A 93 -1.262 -5.363 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.096 -3.999 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.832 -6.203 8.917 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.723 -6.693 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.781 -5.343 7.682 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.005 -6.120 4.771 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.891 -6.885 3.910 1.00 0.00 C ATOM 1360 C ILE A 94 -1.590 -8.376 4.069 1.00 0.00 C ATOM 1361 O ILE A 94 -0.484 -8.825 3.770 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.795 -6.388 2.466 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.349 -4.967 2.336 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.480 -7.361 1.504 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.918 -4.330 1.014 1.00 0.00 C ATOM 0 H ILE A 94 -0.063 -6.501 4.859 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.930 -6.737 4.205 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.742 -6.349 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.437 -4.990 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.998 -4.358 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.397 -6.984 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.999 -8.337 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.532 -7.456 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.325 -3.321 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.830 -4.286 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.292 -4.928 0.183 1.00 0.00 H new ATOM 1377 N THR A 95 -2.593 -9.103 4.540 1.00 0.00 N ATOM 1378 CA THR A 95 -2.449 -10.535 4.742 1.00 0.00 C ATOM 1379 C THR A 95 -3.215 -11.306 3.665 1.00 0.00 C ATOM 1380 O THR A 95 -4.163 -10.784 3.081 1.00 0.00 O ATOM 1381 CB THR A 95 -2.908 -10.860 6.164 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.571 -12.234 6.333 1.00 0.00 O ATOM 1383 CG2 THR A 95 -4.431 -10.829 6.310 1.00 0.00 C ATOM 0 H THR A 95 -3.508 -8.727 4.787 1.00 0.00 H new ATOM 0 HA THR A 95 -1.409 -10.846 4.641 1.00 0.00 H new ATOM 0 HB THR A 95 -2.462 -10.149 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.756 -12.436 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.703 -11.067 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.801 -9.835 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.876 -11.563 5.638 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.775 -12.533 3.436 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.407 -13.381 2.439 1.00 0.00 C ATOM 1393 C VAL A 96 -3.708 -14.749 3.056 1.00 0.00 C ATOM 1394 O VAL A 96 -3.044 -15.735 2.740 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.527 -13.468 1.191 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.979 -14.611 0.279 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.511 -12.138 0.436 1.00 0.00 C ATOM 0 H VAL A 96 -1.988 -12.961 3.923 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.357 -12.952 2.120 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.508 -13.681 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.337 -14.650 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.913 -15.555 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.010 -14.442 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.878 -12.228 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.525 -11.881 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.119 -11.356 1.086 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.709 -14.763 3.924 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.105 -15.994 4.587 1.00 0.00 C ATOM 1409 C GLU A 97 -5.788 -16.936 3.594 1.00 0.00 C ATOM 1410 O GLU A 97 -5.172 -17.373 2.623 1.00 0.00 O ATOM 1411 CB GLU A 97 -6.015 -15.703 5.782 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.480 -16.367 7.053 1.00 0.00 C ATOM 1413 CD GLU A 97 -6.016 -17.794 7.193 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -7.091 -17.939 7.811 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.335 -18.708 6.677 1.00 0.00 O ATOM 1416 OXT GLU A 97 -7.053 -17.222 3.872 1.00 0.00 O ATOM 0 H GLU A 97 -5.257 -13.943 4.183 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.209 -16.485 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.089 -14.626 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.022 -16.066 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.390 -16.385 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.769 -15.779 7.924 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.299 8.983 1.589 1.00 0.00 CU