USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 LYS NZ :NH3+ 169:sc= 0.478 (180deg=0) USER MOD Set 1.2: A 78 HIS :FLIP no HE2:sc= -21.7! C(o=-26!,f=-25!) USER MOD Set 1.3: A 80 SER OG : rot -89:sc= -3.33! USER MOD Set 2.1: A 60 LYS NZ :NH3+ 166:sc= 0.301 (180deg=0) USER MOD Set 2.2: A 64 GLN : amide:sc= -5.66! C(o=-5.4!,f=-19!) USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc= 0.0104 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 1 MET CE :methyl 136:sc= -0.224 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.00464 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -0.0613 (180deg=-0.439) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -20.2! C(o=-20!,f=-20!) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -0.251 (180deg=-1.06) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0968 (180deg=-0.202) USER MOD Single : A 20 GLN :FLIP amide:sc= -1.76 F(o=-2.4!,f=-1.8) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 27 MET CE :methyl 161:sc= -8.4! (180deg=-8.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.56! USER MOD Single : A 45 HIS :FLIP no HD1:sc= -17.4! C(o=-21!,f=-17!) USER MOD Single : A 46 MET CE :methyl 142:sc= 0 (180deg=-1.28) USER MOD Single : A 47 TYR OH : rot -23:sc= -1.57 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 62:sc= -2.16! USER MOD Single : A 53 GLN : amide:sc= -4.66! C(o=-4.7!,f=-7.3!) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -0.0262 (180deg=-0.76) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-8.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.98 X(o=-2,f=-2.1!) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.438 F(o=-2.8,f=-0.44) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 106:sc= -2.86! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -5.64! (180deg=-6.52!) USER MOD Single : A 97 GLN :FLIP amide:sc= -12.3! C(o=-13!,f=-12!) USER MOD Single : A 98 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.032) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= -2.83! (180deg=-3.06) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000166) USER MOD Single : A 108 ASN : amide:sc= -0.324 X(o=-0.32,f=0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.302 -9.911 -14.891 1.00 0.00 N ATOM 2 CA MET A 1 -20.768 -11.109 -14.185 1.00 0.00 C ATOM 3 C MET A 1 -19.906 -10.662 -13.002 1.00 0.00 C ATOM 4 O MET A 1 -19.255 -9.638 -13.048 1.00 0.00 O ATOM 5 CB MET A 1 -19.917 -11.934 -15.153 1.00 0.00 C ATOM 6 CG MET A 1 -20.452 -13.366 -15.210 1.00 0.00 C ATOM 7 SD MET A 1 -21.657 -13.508 -16.552 1.00 0.00 S ATOM 8 CE MET A 1 -20.489 -13.344 -17.924 1.00 0.00 C ATOM 0 H1 MET A 1 -21.605 -10.179 -15.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.114 -9.531 -14.364 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.560 -9.185 -14.953 1.00 0.00 H new ATOM 0 HA MET A 1 -21.597 -11.716 -13.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.940 -11.486 -16.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.877 -11.936 -14.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.632 -14.066 -15.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.917 -13.630 -14.260 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.719 -14.086 -18.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.569 -12.345 -18.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.474 -13.502 -17.559 1.00 0.00 H new ATOM 20 N ALA A 2 -19.898 -11.423 -11.941 1.00 0.00 N ATOM 21 CA ALA A 2 -19.101 -11.051 -10.788 1.00 0.00 C ATOM 22 C ALA A 2 -18.279 -12.257 -10.326 1.00 0.00 C ATOM 23 O ALA A 2 -18.765 -13.370 -10.280 1.00 0.00 O ATOM 24 CB ALA A 2 -20.022 -10.595 -9.655 1.00 0.00 C ATOM 0 H ALA A 2 -20.423 -12.292 -11.844 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.430 -10.236 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.422 -10.316 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.606 -9.736 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.695 -11.408 -9.383 1.00 0.00 H new ATOM 30 N THR A 3 -17.038 -12.044 -9.984 1.00 0.00 N ATOM 31 CA THR A 3 -16.210 -13.148 -9.537 1.00 0.00 C ATOM 32 C THR A 3 -16.519 -13.454 -8.070 1.00 0.00 C ATOM 33 O THR A 3 -16.790 -12.568 -7.284 1.00 0.00 O ATOM 34 CB THR A 3 -14.734 -12.772 -9.682 1.00 0.00 C ATOM 35 OG1 THR A 3 -13.927 -13.826 -9.175 1.00 0.00 O ATOM 36 CG2 THR A 3 -14.453 -11.489 -8.898 1.00 0.00 C ATOM 0 H THR A 3 -16.577 -11.135 -10.003 1.00 0.00 H new ATOM 0 HA THR A 3 -16.420 -14.029 -10.144 1.00 0.00 H new ATOM 0 HB THR A 3 -14.501 -12.610 -10.734 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.981 -13.588 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.401 -11.222 -9.002 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.073 -10.681 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.685 -11.648 -7.845 1.00 0.00 H new ATOM 44 N SER A 4 -16.482 -14.703 -7.695 1.00 0.00 N ATOM 45 CA SER A 4 -16.766 -15.057 -6.318 1.00 0.00 C ATOM 46 C SER A 4 -15.545 -14.752 -5.448 1.00 0.00 C ATOM 47 O SER A 4 -15.647 -14.613 -4.245 1.00 0.00 O ATOM 48 CB SER A 4 -17.097 -16.546 -6.231 1.00 0.00 C ATOM 49 OG SER A 4 -18.224 -16.729 -5.384 1.00 0.00 O ATOM 0 H SER A 4 -16.262 -15.488 -8.308 1.00 0.00 H new ATOM 0 HA SER A 4 -17.617 -14.476 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.306 -16.942 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.242 -17.098 -5.842 1.00 0.00 H new ATOM 0 HG SER A 4 -18.439 -17.683 -5.328 1.00 0.00 H new ATOM 55 N SER A 5 -14.388 -14.647 -6.044 1.00 0.00 N ATOM 56 CA SER A 5 -13.198 -14.360 -5.265 1.00 0.00 C ATOM 57 C SER A 5 -12.940 -12.853 -5.259 1.00 0.00 C ATOM 58 O SER A 5 -13.456 -12.120 -6.080 1.00 0.00 O ATOM 59 CB SER A 5 -11.994 -15.074 -5.878 1.00 0.00 C ATOM 60 OG SER A 5 -12.346 -15.572 -7.162 1.00 0.00 O ATOM 0 H SER A 5 -14.237 -14.752 -7.047 1.00 0.00 H new ATOM 0 HA SER A 5 -13.347 -14.711 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.152 -14.386 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.675 -15.893 -5.233 1.00 0.00 H new ATOM 0 HG SER A 5 -11.575 -16.029 -7.558 1.00 0.00 H new ATOM 66 N GLU A 6 -12.147 -12.386 -4.336 1.00 0.00 N ATOM 67 CA GLU A 6 -11.862 -10.967 -4.270 1.00 0.00 C ATOM 68 C GLU A 6 -11.144 -10.515 -5.536 1.00 0.00 C ATOM 69 O GLU A 6 -10.604 -11.304 -6.285 1.00 0.00 O ATOM 70 CB GLU A 6 -10.979 -10.652 -3.069 1.00 0.00 C ATOM 71 CG GLU A 6 -11.671 -11.084 -1.775 1.00 0.00 C ATOM 72 CD GLU A 6 -13.159 -10.725 -1.829 1.00 0.00 C ATOM 73 OE1 GLU A 6 -13.489 -9.597 -1.502 1.00 0.00 O ATOM 74 OE2 GLU A 6 -13.942 -11.585 -2.197 1.00 0.00 O ATOM 0 H GLU A 6 -11.688 -12.953 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.810 -10.438 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.023 -11.166 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.765 -9.584 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.553 -12.158 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.202 -10.595 -0.922 1.00 0.00 H new ATOM 81 N GLU A 7 -11.123 -9.236 -5.756 1.00 0.00 N ATOM 82 CA GLU A 7 -10.446 -8.700 -6.919 1.00 0.00 C ATOM 83 C GLU A 7 -9.332 -7.767 -6.447 1.00 0.00 C ATOM 84 O GLU A 7 -9.594 -6.758 -5.823 1.00 0.00 O ATOM 85 CB GLU A 7 -11.441 -7.919 -7.780 1.00 0.00 C ATOM 86 CG GLU A 7 -12.698 -8.762 -8.002 1.00 0.00 C ATOM 87 CD GLU A 7 -13.186 -8.580 -9.440 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.531 -9.087 -10.336 1.00 0.00 O ATOM 89 OE2 GLU A 7 -14.207 -7.938 -9.622 1.00 0.00 O ATOM 0 H GLU A 7 -11.562 -8.539 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.026 -9.512 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.702 -6.980 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.987 -7.665 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.483 -9.813 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.478 -8.463 -7.301 1.00 0.00 H new ATOM 96 N VAL A 8 -8.091 -8.101 -6.681 1.00 0.00 N ATOM 97 CA VAL A 8 -7.019 -7.259 -6.190 1.00 0.00 C ATOM 98 C VAL A 8 -6.508 -6.347 -7.307 1.00 0.00 C ATOM 99 O VAL A 8 -6.665 -6.621 -8.480 1.00 0.00 O ATOM 100 CB VAL A 8 -5.871 -8.142 -5.678 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.442 -9.346 -4.927 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.029 -8.644 -6.856 1.00 0.00 C ATOM 0 H VAL A 8 -7.795 -8.930 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.397 -6.640 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.246 -7.551 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.625 -9.970 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.036 -8.999 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.073 -9.928 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.218 -9.269 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.657 -9.228 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.613 -7.793 -7.395 1.00 0.00 H new ATOM 112 N LEU A 9 -5.944 -5.236 -6.929 1.00 0.00 N ATOM 113 CA LEU A 9 -5.479 -4.279 -7.920 1.00 0.00 C ATOM 114 C LEU A 9 -3.963 -4.400 -8.173 1.00 0.00 C ATOM 115 O LEU A 9 -3.546 -4.444 -9.313 1.00 0.00 O ATOM 116 CB LEU A 9 -5.796 -2.863 -7.437 1.00 0.00 C ATOM 117 CG LEU A 9 -5.248 -1.848 -8.442 1.00 0.00 C ATOM 118 CD1 LEU A 9 -6.048 -1.936 -9.743 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.374 -0.438 -7.861 1.00 0.00 C ATOM 0 H LEU A 9 -5.791 -4.963 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.992 -4.492 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.873 -2.737 -7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.354 -2.694 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.199 -2.066 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.658 -1.213 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.960 -2.941 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.097 -1.717 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.984 0.286 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.423 -0.220 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.805 -0.375 -6.933 1.00 0.00 H new ATOM 131 N LEU A 10 -3.119 -4.456 -7.170 1.00 0.00 N ATOM 132 CA LEU A 10 -1.700 -4.569 -7.477 1.00 0.00 C ATOM 133 C LEU A 10 -0.950 -5.144 -6.284 1.00 0.00 C ATOM 134 O LEU A 10 -1.266 -4.863 -5.149 1.00 0.00 O ATOM 135 CB LEU A 10 -1.136 -3.191 -7.822 1.00 0.00 C ATOM 136 CG LEU A 10 0.394 -3.246 -7.849 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.855 -4.082 -9.044 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.951 -1.826 -7.977 1.00 0.00 C ATOM 0 H LEU A 10 -3.364 -4.428 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.575 -5.236 -8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.514 -2.866 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.469 -2.458 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 10 0.757 -3.700 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.944 -4.121 -9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.457 -5.093 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.492 -3.629 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.040 -1.863 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.587 -1.374 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.623 -1.229 -7.126 1.00 0.00 H new ATOM 150 N ILE A 11 0.034 -5.961 -6.531 1.00 0.00 N ATOM 151 CA ILE A 11 0.775 -6.556 -5.439 1.00 0.00 C ATOM 152 C ILE A 11 2.274 -6.316 -5.631 1.00 0.00 C ATOM 153 O ILE A 11 2.815 -6.489 -6.706 1.00 0.00 O ATOM 154 CB ILE A 11 0.501 -8.066 -5.429 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.559 -8.801 -4.563 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.539 -8.578 -6.874 1.00 0.00 C ATOM 157 CD1 ILE A 11 1.890 -10.175 -5.159 1.00 0.00 C ATOM 0 H ILE A 11 0.344 -6.232 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 11 0.463 -6.107 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.480 -8.262 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.465 -8.199 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.184 -8.921 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.346 -9.651 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.223 -8.066 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.521 -8.382 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.633 -10.672 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.985 -10.782 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.287 -10.049 -6.166 1.00 0.00 H new ATOM 169 N VAL A 12 2.949 -5.958 -4.577 1.00 0.00 N ATOM 170 CA VAL A 12 4.381 -5.753 -4.663 1.00 0.00 C ATOM 171 C VAL A 12 5.074 -6.735 -3.711 1.00 0.00 C ATOM 172 O VAL A 12 5.152 -6.532 -2.516 1.00 0.00 O ATOM 173 CB VAL A 12 4.775 -4.306 -4.328 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.705 -3.461 -5.600 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.839 -3.701 -3.279 1.00 0.00 C ATOM 0 H VAL A 12 2.544 -5.801 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 12 4.701 -5.935 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 12 5.787 -4.313 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.983 -2.433 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.392 -3.865 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.689 -3.482 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.146 -2.677 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.817 -3.702 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.886 -4.293 -2.365 1.00 0.00 H new ATOM 185 N LYS A 13 5.573 -7.800 -4.268 1.00 0.00 N ATOM 186 CA LYS A 13 6.262 -8.833 -3.507 1.00 0.00 C ATOM 187 C LYS A 13 7.417 -8.243 -2.710 1.00 0.00 C ATOM 188 O LYS A 13 7.913 -8.826 -1.768 1.00 0.00 O ATOM 189 CB LYS A 13 6.781 -9.885 -4.487 1.00 0.00 C ATOM 190 CG LYS A 13 8.189 -9.531 -4.988 1.00 0.00 C ATOM 191 CD LYS A 13 8.130 -8.251 -5.825 1.00 0.00 C ATOM 192 CE LYS A 13 9.097 -8.367 -7.005 1.00 0.00 C ATOM 193 NZ LYS A 13 8.578 -9.370 -7.977 1.00 0.00 N ATOM 0 H LYS A 13 5.519 -7.989 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 13 5.569 -9.286 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.800 -10.861 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.100 -9.964 -5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.863 -9.394 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.590 -10.350 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.115 -8.088 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.391 -7.390 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.211 -7.398 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.084 -8.664 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.901 -9.125 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.932 -10.315 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.538 -9.372 -7.952 1.00 0.00 H new ATOM 207 N LYS A 14 7.841 -7.097 -3.090 1.00 0.00 N ATOM 208 CA LYS A 14 8.935 -6.469 -2.383 1.00 0.00 C ATOM 209 C LYS A 14 8.463 -5.174 -1.721 1.00 0.00 C ATOM 210 O LYS A 14 8.103 -4.227 -2.388 1.00 0.00 O ATOM 211 CB LYS A 14 10.067 -6.154 -3.363 1.00 0.00 C ATOM 212 CG LYS A 14 11.343 -6.873 -2.918 1.00 0.00 C ATOM 213 CD LYS A 14 11.073 -8.375 -2.812 1.00 0.00 C ATOM 214 CE LYS A 14 12.402 -9.130 -2.738 1.00 0.00 C ATOM 215 NZ LYS A 14 12.161 -10.513 -2.236 1.00 0.00 N ATOM 0 H LYS A 14 7.465 -6.565 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 14 9.294 -7.152 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.790 -6.471 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.238 -5.078 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.146 -6.687 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.675 -6.484 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.473 -8.586 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.498 -8.713 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.868 -9.165 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.093 -8.607 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.064 -11.026 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.734 -10.469 -1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.516 -11.010 -2.883 1.00 0.00 H new ATOM 229 N VAL A 15 8.577 -5.084 -0.418 1.00 0.00 N ATOM 230 CA VAL A 15 8.262 -3.829 0.214 1.00 0.00 C ATOM 231 C VAL A 15 9.089 -3.682 1.476 1.00 0.00 C ATOM 232 O VAL A 15 9.435 -4.641 2.136 1.00 0.00 O ATOM 233 CB VAL A 15 6.765 -3.671 0.456 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.504 -2.523 1.431 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.127 -3.330 -0.883 1.00 0.00 C ATOM 0 H VAL A 15 8.874 -5.835 0.205 1.00 0.00 H new ATOM 0 HA VAL A 15 8.527 -3.013 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 15 6.353 -4.588 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.431 -2.421 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.998 -2.732 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.897 -1.595 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.052 -3.208 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.554 -2.402 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.318 -4.135 -1.593 1.00 0.00 H new ATOM 245 N ARG A 16 9.417 -2.478 1.794 1.00 0.00 N ATOM 246 CA ARG A 16 10.215 -2.211 2.953 1.00 0.00 C ATOM 247 C ARG A 16 9.460 -1.255 3.835 1.00 0.00 C ATOM 248 O ARG A 16 8.915 -0.273 3.388 1.00 0.00 O ATOM 249 CB ARG A 16 11.517 -1.549 2.511 1.00 0.00 C ATOM 250 CG ARG A 16 12.341 -1.149 3.734 1.00 0.00 C ATOM 251 CD ARG A 16 13.155 -2.345 4.239 1.00 0.00 C ATOM 252 NE ARG A 16 13.976 -2.887 3.169 1.00 0.00 N ATOM 253 CZ ARG A 16 15.014 -3.632 3.449 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.341 -3.874 4.691 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.731 -4.134 2.481 1.00 0.00 N ATOM 0 H ARG A 16 9.144 -1.650 1.265 1.00 0.00 H new ATOM 0 HA ARG A 16 10.431 -3.135 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.089 -2.234 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.300 -0.669 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.010 -0.327 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.682 -0.789 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.788 -2.037 5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.484 -3.116 4.617 1.00 0.00 H new ATOM 0 HE ARG A 16 13.742 -2.686 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.785 -3.481 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.152 -4.456 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.481 -3.945 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.541 -4.715 2.695 1.00 0.00 H new ATOM 269 N GLN A 17 9.431 -1.530 5.081 1.00 0.00 N ATOM 270 CA GLN A 17 8.743 -0.660 5.975 1.00 0.00 C ATOM 271 C GLN A 17 9.579 -0.597 7.247 1.00 0.00 C ATOM 272 O GLN A 17 10.129 -1.593 7.673 1.00 0.00 O ATOM 273 CB GLN A 17 7.336 -1.221 6.215 1.00 0.00 C ATOM 274 CG GLN A 17 7.425 -2.710 6.500 1.00 0.00 C ATOM 275 CD GLN A 17 6.051 -3.253 6.876 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.041 -2.635 6.609 1.00 0.00 O ATOM 277 NE2 GLN A 17 5.975 -4.392 7.501 1.00 0.00 N ATOM 0 H GLN A 17 9.870 -2.344 5.512 1.00 0.00 H new ATOM 0 HA GLN A 17 8.620 0.349 5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.866 -0.707 7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.709 -1.044 5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.805 -3.234 5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.131 -2.892 7.310 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.825 -4.909 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.065 -4.768 7.768 1.00 0.00 H new ATOM 286 N LYS A 18 9.779 0.582 7.777 1.00 0.00 N ATOM 287 CA LYS A 18 10.666 0.744 8.924 1.00 0.00 C ATOM 288 C LYS A 18 10.558 -0.444 9.886 1.00 0.00 C ATOM 289 O LYS A 18 11.482 -0.726 10.622 1.00 0.00 O ATOM 290 CB LYS A 18 10.294 2.027 9.668 1.00 0.00 C ATOM 291 CG LYS A 18 11.078 3.203 9.082 1.00 0.00 C ATOM 292 CD LYS A 18 11.447 4.178 10.201 1.00 0.00 C ATOM 293 CE LYS A 18 12.180 5.382 9.607 1.00 0.00 C ATOM 294 NZ LYS A 18 11.530 5.775 8.325 1.00 0.00 N ATOM 0 H LYS A 18 9.348 1.444 7.444 1.00 0.00 H new ATOM 0 HA LYS A 18 11.692 0.796 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.223 2.212 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.516 1.921 10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.980 2.842 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.481 3.711 8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.548 4.507 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.079 3.681 10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.160 6.216 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.228 5.135 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.756 6.767 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.880 5.167 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.499 5.666 8.411 1.00 0.00 H new ATOM 308 N LYS A 19 9.475 -1.163 9.881 1.00 0.00 N ATOM 309 CA LYS A 19 9.388 -2.300 10.762 1.00 0.00 C ATOM 310 C LYS A 19 10.121 -3.514 10.151 1.00 0.00 C ATOM 311 O LYS A 19 10.946 -4.144 10.782 1.00 0.00 O ATOM 312 CB LYS A 19 7.901 -2.664 11.000 1.00 0.00 C ATOM 313 CG LYS A 19 7.164 -2.970 9.671 1.00 0.00 C ATOM 314 CD LYS A 19 5.651 -2.940 9.906 1.00 0.00 C ATOM 315 CE LYS A 19 5.259 -1.614 10.561 1.00 0.00 C ATOM 316 NZ LYS A 19 4.877 -1.855 11.981 1.00 0.00 N ATOM 0 H LYS A 19 8.657 -0.994 9.295 1.00 0.00 H new ATOM 0 HA LYS A 19 9.860 -2.042 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.840 -3.531 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.402 -1.840 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.439 -2.237 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.465 -3.947 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.123 -3.060 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.355 -3.773 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.091 -0.912 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.427 -1.161 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.890 -0.955 12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.921 -2.263 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.553 -2.516 12.415 1.00 0.00 H new ATOM 330 N GLN A 20 9.740 -3.887 8.966 1.00 0.00 N ATOM 331 CA GLN A 20 10.268 -5.066 8.321 1.00 0.00 C ATOM 332 C GLN A 20 10.232 -4.899 6.807 1.00 0.00 C ATOM 333 O GLN A 20 9.573 -4.029 6.287 1.00 0.00 O ATOM 334 CB GLN A 20 9.418 -6.273 8.693 1.00 0.00 C ATOM 335 CG GLN A 20 10.314 -7.499 8.842 1.00 0.00 C ATOM 336 CD GLN A 20 9.948 -8.532 7.775 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.867 -8.954 6.950 1.00 0.00 O flip ATOM 338 NE2 GLN A 20 8.814 -8.961 7.692 1.00 0.00 N flip ATOM 0 H GLN A 20 9.049 -3.382 8.410 1.00 0.00 H new ATOM 0 HA GLN A 20 11.297 -5.211 8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.885 -6.083 9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.664 -6.451 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.361 -7.212 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.196 -7.930 9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.096 -8.631 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.581 -9.651 6.978 1.00 0.00 H new ATOM 347 N ASP A 21 10.873 -5.768 6.090 1.00 0.00 N ATOM 348 CA ASP A 21 10.785 -5.689 4.653 1.00 0.00 C ATOM 349 C ASP A 21 9.872 -6.864 4.353 1.00 0.00 C ATOM 350 O ASP A 21 10.041 -7.953 4.866 1.00 0.00 O ATOM 351 CB ASP A 21 12.148 -5.890 3.977 1.00 0.00 C ATOM 352 CG ASP A 21 13.271 -5.529 4.950 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.037 -4.705 5.819 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.348 -6.086 4.812 1.00 0.00 O ATOM 0 H ASP A 21 11.451 -6.524 6.457 1.00 0.00 H new ATOM 0 HA ASP A 21 10.435 -4.722 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.254 -6.926 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.216 -5.269 3.084 1.00 0.00 H new ATOM 359 N GLY A 22 8.857 -6.624 3.583 1.00 0.00 N ATOM 360 CA GLY A 22 7.896 -7.662 3.316 1.00 0.00 C ATOM 361 C GLY A 22 7.077 -7.327 2.083 1.00 0.00 C ATOM 362 O GLY A 22 7.167 -6.236 1.549 1.00 0.00 O ATOM 0 H GLY A 22 8.668 -5.730 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.410 -8.612 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.236 -7.784 4.175 1.00 0.00 H new ATOM 366 N ALA A 23 6.369 -8.283 1.553 1.00 0.00 N ATOM 367 CA ALA A 23 5.632 -8.041 0.340 1.00 0.00 C ATOM 368 C ALA A 23 4.266 -7.411 0.639 1.00 0.00 C ATOM 369 O ALA A 23 3.560 -7.761 1.564 1.00 0.00 O ATOM 370 CB ALA A 23 5.408 -9.369 -0.384 1.00 0.00 C ATOM 0 H ALA A 23 6.285 -9.226 1.933 1.00 0.00 H new ATOM 0 HA ALA A 23 6.209 -7.354 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.850 -9.192 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.371 -9.819 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.843 -10.043 0.259 1.00 0.00 H new ATOM 376 N LEU A 24 3.979 -6.411 -0.132 1.00 0.00 N ATOM 377 CA LEU A 24 2.769 -5.633 0.062 1.00 0.00 C ATOM 378 C LEU A 24 1.773 -5.943 -1.054 1.00 0.00 C ATOM 379 O LEU A 24 2.109 -6.004 -2.215 1.00 0.00 O ATOM 380 CB LEU A 24 3.126 -4.147 0.000 1.00 0.00 C ATOM 381 CG LEU A 24 2.926 -3.476 1.352 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.978 -1.962 1.150 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.567 -3.860 1.932 1.00 0.00 C ATOM 0 H LEU A 24 4.562 -6.102 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 24 2.326 -5.881 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.163 -4.032 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.508 -3.653 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 24 3.707 -3.797 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.837 -1.462 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.947 -1.683 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.188 -1.659 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.434 -3.375 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.777 -3.538 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.518 -4.941 2.059 1.00 0.00 H new ATOM 395 N TYR A 25 0.540 -6.154 -0.682 1.00 0.00 N ATOM 396 CA TYR A 25 -0.497 -6.472 -1.646 1.00 0.00 C ATOM 397 C TYR A 25 -1.538 -5.359 -1.624 1.00 0.00 C ATOM 398 O TYR A 25 -1.962 -4.941 -0.568 1.00 0.00 O ATOM 399 CB TYR A 25 -1.205 -7.757 -1.207 1.00 0.00 C ATOM 400 CG TYR A 25 -0.585 -8.973 -1.844 1.00 0.00 C ATOM 401 CD1 TYR A 25 -1.048 -9.421 -3.084 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.429 -9.670 -1.178 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.491 -10.567 -3.664 1.00 0.00 C ATOM 404 CE2 TYR A 25 0.982 -10.818 -1.754 1.00 0.00 C ATOM 405 CZ TYR A 25 0.523 -11.267 -2.997 1.00 0.00 C ATOM 406 OH TYR A 25 1.069 -12.400 -3.565 1.00 0.00 O ATOM 0 H TYR A 25 0.220 -6.113 0.286 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.055 -6.585 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.156 -7.848 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.260 -7.702 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.834 -8.884 -3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.784 -9.322 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.843 -10.911 -4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.763 -11.358 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 25 1.760 -12.763 -2.972 1.00 0.00 H new ATOM 416 N LEU A 26 -1.993 -4.881 -2.748 1.00 0.00 N ATOM 417 CA LEU A 26 -3.006 -3.853 -2.717 1.00 0.00 C ATOM 418 C LEU A 26 -4.302 -4.489 -3.215 1.00 0.00 C ATOM 419 O LEU A 26 -4.332 -5.108 -4.269 1.00 0.00 O ATOM 420 CB LEU A 26 -2.607 -2.697 -3.640 1.00 0.00 C ATOM 421 CG LEU A 26 -3.247 -1.396 -3.146 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.879 -0.253 -4.094 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.769 -1.553 -3.108 1.00 0.00 C ATOM 0 H LEU A 26 -1.691 -5.174 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.126 -3.456 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.522 -2.594 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.928 -2.907 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.880 -1.172 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.335 0.673 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.796 -0.137 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.244 -0.479 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.222 -0.626 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.137 -1.779 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.034 -2.366 -2.432 1.00 0.00 H new ATOM 435 N MET A 27 -5.371 -4.315 -2.485 1.00 0.00 N ATOM 436 CA MET A 27 -6.640 -4.874 -2.893 1.00 0.00 C ATOM 437 C MET A 27 -7.606 -3.730 -3.165 1.00 0.00 C ATOM 438 O MET A 27 -7.465 -2.649 -2.627 1.00 0.00 O ATOM 439 CB MET A 27 -7.188 -5.759 -1.770 1.00 0.00 C ATOM 440 CG MET A 27 -8.644 -6.135 -2.058 1.00 0.00 C ATOM 441 SD MET A 27 -8.960 -7.811 -1.449 1.00 0.00 S ATOM 442 CE MET A 27 -8.094 -8.698 -2.764 1.00 0.00 C ATOM 0 H MET A 27 -5.393 -3.794 -1.608 1.00 0.00 H new ATOM 0 HA MET A 27 -6.517 -5.477 -3.793 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.583 -6.661 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.122 -5.233 -0.817 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.317 -5.427 -1.575 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.841 -6.082 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.867 -9.711 -2.431 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.726 -8.741 -3.651 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.166 -8.178 -3.004 1.00 0.00 H new ATOM 452 N ALA A 28 -8.573 -3.957 -4.007 1.00 0.00 N ATOM 453 CA ALA A 28 -9.524 -2.917 -4.337 1.00 0.00 C ATOM 454 C ALA A 28 -9.862 -2.068 -3.110 1.00 0.00 C ATOM 455 O ALA A 28 -9.764 -0.858 -3.155 1.00 0.00 O ATOM 456 CB ALA A 28 -10.801 -3.561 -4.884 1.00 0.00 C ATOM 0 H ALA A 28 -8.729 -4.847 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.080 -2.264 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.522 -2.783 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.564 -4.138 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.228 -4.221 -4.129 1.00 0.00 H new ATOM 462 N GLU A 29 -10.310 -2.654 -2.033 1.00 0.00 N ATOM 463 CA GLU A 29 -10.690 -1.847 -0.892 1.00 0.00 C ATOM 464 C GLU A 29 -9.671 -1.922 0.255 1.00 0.00 C ATOM 465 O GLU A 29 -9.935 -1.427 1.326 1.00 0.00 O ATOM 466 CB GLU A 29 -12.026 -2.378 -0.381 1.00 0.00 C ATOM 467 CG GLU A 29 -12.452 -1.627 0.885 1.00 0.00 C ATOM 468 CD GLU A 29 -13.913 -1.192 0.751 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.658 -1.886 0.079 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.261 -0.171 1.322 1.00 0.00 O ATOM 0 H GLU A 29 -10.421 -3.661 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.745 -0.807 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.788 -2.265 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.943 -3.444 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.330 -2.267 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.814 -0.756 1.036 1.00 0.00 H new ATOM 477 N ARG A 30 -8.525 -2.526 0.097 1.00 0.00 N ATOM 478 CA ARG A 30 -7.628 -2.554 1.249 1.00 0.00 C ATOM 479 C ARG A 30 -6.171 -2.814 0.870 1.00 0.00 C ATOM 480 O ARG A 30 -5.850 -3.241 -0.219 1.00 0.00 O ATOM 481 CB ARG A 30 -8.094 -3.617 2.249 1.00 0.00 C ATOM 482 CG ARG A 30 -7.551 -4.997 1.888 1.00 0.00 C ATOM 483 CD ARG A 30 -8.717 -5.977 1.806 1.00 0.00 C ATOM 484 NE ARG A 30 -9.628 -5.517 0.773 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.646 -6.252 0.413 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.871 -7.395 1.003 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.441 -5.844 -0.537 1.00 0.00 N ATOM 0 H ARG A 30 -8.193 -2.981 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.669 -1.563 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.764 -3.345 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.183 -3.647 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.023 -4.958 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.832 -5.328 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.355 -6.979 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.230 -6.037 2.766 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.472 -4.614 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.251 -7.716 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.667 -7.967 0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.268 -4.951 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.236 -6.418 -0.818 1.00 0.00 H new ATOM 501 N ILE A 31 -5.295 -2.555 1.805 1.00 0.00 N ATOM 502 CA ILE A 31 -3.872 -2.767 1.586 1.00 0.00 C ATOM 503 C ILE A 31 -3.425 -3.964 2.442 1.00 0.00 C ATOM 504 O ILE A 31 -3.612 -3.979 3.640 1.00 0.00 O ATOM 505 CB ILE A 31 -3.106 -1.486 1.979 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.851 -0.652 0.721 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.760 -1.828 2.633 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.759 -1.318 -0.120 1.00 0.00 C ATOM 0 H ILE A 31 -5.533 -2.196 2.730 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.664 -2.982 0.538 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.708 -0.927 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.768 -0.562 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.548 0.358 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.241 -0.907 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.932 -2.421 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.150 -2.399 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.577 -0.725 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.841 -1.385 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.081 -2.319 -0.407 1.00 0.00 H new ATOM 520 N ALA A 32 -2.854 -4.972 1.832 1.00 0.00 N ATOM 521 CA ALA A 32 -2.435 -6.143 2.589 1.00 0.00 C ATOM 522 C ALA A 32 -0.916 -6.252 2.654 1.00 0.00 C ATOM 523 O ALA A 32 -0.194 -5.711 1.842 1.00 0.00 O ATOM 524 CB ALA A 32 -3.005 -7.399 1.930 1.00 0.00 C ATOM 0 H ALA A 32 -2.667 -5.014 0.830 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.811 -6.043 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.694 -8.279 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.093 -7.342 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.635 -7.473 0.908 1.00 0.00 H new ATOM 530 N TRP A 33 -0.444 -6.978 3.629 1.00 0.00 N ATOM 531 CA TRP A 33 0.984 -7.167 3.784 1.00 0.00 C ATOM 532 C TRP A 33 1.269 -8.635 4.049 1.00 0.00 C ATOM 533 O TRP A 33 0.561 -9.288 4.779 1.00 0.00 O ATOM 534 CB TRP A 33 1.507 -6.347 4.954 1.00 0.00 C ATOM 535 CG TRP A 33 2.990 -6.382 4.936 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.743 -6.160 3.843 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.924 -6.678 6.019 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.068 -6.202 4.217 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.232 -6.545 5.517 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.778 -7.024 7.371 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.355 -6.738 6.299 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.910 -7.242 8.170 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.199 -7.095 7.634 1.00 0.00 C ATOM 0 H TRP A 33 -1.018 -7.449 4.328 1.00 0.00 H new ATOM 0 HA TRP A 33 1.481 -6.842 2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.153 -5.319 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.131 -6.749 5.895 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.372 -5.980 2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.841 -5.997 3.584 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.791 -7.123 7.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.342 -6.613 5.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.789 -7.525 9.205 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.067 -7.259 8.256 1.00 0.00 H new ATOM 554 N ALA A 34 2.314 -9.151 3.479 1.00 0.00 N ATOM 555 CA ALA A 34 2.647 -10.542 3.718 1.00 0.00 C ATOM 556 C ALA A 34 4.157 -10.791 3.561 1.00 0.00 C ATOM 557 O ALA A 34 4.849 -10.035 2.901 1.00 0.00 O ATOM 558 CB ALA A 34 1.873 -11.432 2.757 1.00 0.00 C ATOM 0 H ALA A 34 2.947 -8.651 2.855 1.00 0.00 H new ATOM 0 HA ALA A 34 2.369 -10.784 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.128 -12.475 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.803 -11.287 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.132 -11.172 1.731 1.00 0.00 H new ATOM 564 N PRO A 35 4.610 -11.877 4.150 1.00 0.00 N ATOM 565 CA PRO A 35 6.044 -12.224 4.018 1.00 0.00 C ATOM 566 C PRO A 35 6.185 -13.428 3.079 1.00 0.00 C ATOM 567 O PRO A 35 5.339 -13.670 2.241 1.00 0.00 O ATOM 568 CB PRO A 35 6.521 -12.595 5.427 1.00 0.00 C ATOM 569 CG PRO A 35 5.297 -12.541 6.361 1.00 0.00 C ATOM 570 CD PRO A 35 4.098 -12.070 5.528 1.00 0.00 C ATOM 0 HA PRO A 35 6.630 -11.402 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.963 -13.591 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.292 -11.903 5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.101 -13.523 6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.479 -11.858 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.296 -12.808 5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.687 -11.142 5.925 1.00 0.00 H new ATOM 578 N GLU A 36 7.241 -14.187 3.205 1.00 0.00 N ATOM 579 CA GLU A 36 7.413 -15.337 2.335 1.00 0.00 C ATOM 580 C GLU A 36 7.212 -16.630 3.136 1.00 0.00 C ATOM 581 O GLU A 36 8.161 -17.262 3.557 1.00 0.00 O ATOM 582 CB GLU A 36 8.822 -15.321 1.740 1.00 0.00 C ATOM 583 CG GLU A 36 9.837 -14.995 2.839 1.00 0.00 C ATOM 584 CD GLU A 36 11.252 -15.247 2.317 1.00 0.00 C ATOM 585 OE1 GLU A 36 11.417 -16.159 1.523 1.00 0.00 O ATOM 586 OE2 GLU A 36 12.148 -14.524 2.720 1.00 0.00 O ATOM 0 H GLU A 36 7.986 -14.041 3.886 1.00 0.00 H new ATOM 0 HA GLU A 36 6.677 -15.293 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.051 -16.289 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.883 -14.580 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.732 -13.955 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.647 -15.611 3.718 1.00 0.00 H new ATOM 593 N GLY A 37 5.986 -17.030 3.345 1.00 0.00 N ATOM 594 CA GLY A 37 5.736 -18.252 4.094 1.00 0.00 C ATOM 595 C GLY A 37 4.323 -18.760 3.791 1.00 0.00 C ATOM 596 O GLY A 37 3.625 -18.217 2.958 1.00 0.00 O ATOM 0 H GLY A 37 5.151 -16.544 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.471 -19.011 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.845 -18.065 5.162 1.00 0.00 H new ATOM 600 N LYS A 38 3.890 -19.794 4.466 1.00 0.00 N ATOM 601 CA LYS A 38 2.552 -20.312 4.226 1.00 0.00 C ATOM 602 C LYS A 38 1.527 -19.306 4.755 1.00 0.00 C ATOM 603 O LYS A 38 0.691 -19.623 5.577 1.00 0.00 O ATOM 604 CB LYS A 38 2.384 -21.649 4.950 1.00 0.00 C ATOM 605 CG LYS A 38 1.399 -22.529 4.178 1.00 0.00 C ATOM 606 CD LYS A 38 1.879 -23.981 4.211 1.00 0.00 C ATOM 607 CE LYS A 38 1.967 -24.523 2.783 1.00 0.00 C ATOM 608 NZ LYS A 38 0.601 -24.868 2.298 1.00 0.00 N ATOM 0 H LYS A 38 4.427 -20.292 5.176 1.00 0.00 H new ATOM 0 HA LYS A 38 2.400 -20.463 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.347 -22.152 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.021 -21.482 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.405 -22.453 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.318 -22.185 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.854 -24.042 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.192 -24.589 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.420 -23.779 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.608 -25.404 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.660 -25.237 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.185 -25.592 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.003 -24.017 2.309 1.00 0.00 H new ATOM 622 N ASP A 39 1.564 -18.108 4.247 1.00 0.00 N ATOM 623 CA ASP A 39 0.615 -17.083 4.626 1.00 0.00 C ATOM 624 C ASP A 39 0.748 -16.006 3.552 1.00 0.00 C ATOM 625 O ASP A 39 1.858 -15.667 3.192 1.00 0.00 O ATOM 626 CB ASP A 39 0.975 -16.509 5.999 1.00 0.00 C ATOM 627 CG ASP A 39 -0.305 -16.255 6.798 1.00 0.00 C ATOM 628 OD1 ASP A 39 -1.359 -16.191 6.186 1.00 0.00 O ATOM 629 OD2 ASP A 39 -0.210 -16.127 8.007 1.00 0.00 O ATOM 0 H ASP A 39 2.252 -17.807 3.556 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.402 -17.470 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.620 -17.203 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.533 -15.580 5.882 1.00 0.00 H new ATOM 634 N ARG A 40 -0.295 -15.445 3.005 1.00 0.00 N ATOM 635 CA ARG A 40 -0.063 -14.438 1.988 1.00 0.00 C ATOM 636 C ARG A 40 -0.625 -13.097 2.436 1.00 0.00 C ATOM 637 O ARG A 40 -0.472 -12.093 1.770 1.00 0.00 O ATOM 638 CB ARG A 40 -0.763 -14.840 0.697 1.00 0.00 C ATOM 639 CG ARG A 40 0.069 -15.891 -0.041 1.00 0.00 C ATOM 640 CD ARG A 40 -0.460 -17.287 0.294 1.00 0.00 C ATOM 641 NE ARG A 40 -0.668 -18.035 -0.932 1.00 0.00 N ATOM 642 CZ ARG A 40 -0.821 -19.332 -0.893 1.00 0.00 C ATOM 643 NH1 ARG A 40 -0.791 -19.964 0.250 1.00 0.00 N ATOM 644 NH2 ARG A 40 -1.006 -19.999 -1.999 1.00 0.00 N ATOM 0 H ARG A 40 -1.270 -15.648 3.226 1.00 0.00 H new ATOM 0 HA ARG A 40 1.012 -14.354 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.753 -15.238 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.905 -13.965 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.020 -15.720 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.117 -15.809 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.248 -17.811 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.396 -17.209 0.848 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.695 -17.547 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.648 -19.445 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.911 -20.977 0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.031 -19.508 -2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.126 -21.012 -1.970 1.00 0.00 H new ATOM 658 N PHE A 41 -1.290 -13.075 3.541 1.00 0.00 N ATOM 659 CA PHE A 41 -1.866 -11.831 4.001 1.00 0.00 C ATOM 660 C PHE A 41 -1.616 -11.618 5.488 1.00 0.00 C ATOM 661 O PHE A 41 -2.476 -11.839 6.317 1.00 0.00 O ATOM 662 CB PHE A 41 -3.364 -11.837 3.719 1.00 0.00 C ATOM 663 CG PHE A 41 -3.547 -11.555 2.258 1.00 0.00 C ATOM 664 CD1 PHE A 41 -2.883 -10.467 1.686 1.00 0.00 C ATOM 665 CD2 PHE A 41 -4.349 -12.388 1.471 1.00 0.00 C ATOM 666 CE1 PHE A 41 -3.023 -10.206 0.318 1.00 0.00 C ATOM 667 CE2 PHE A 41 -4.485 -12.132 0.103 1.00 0.00 C ATOM 668 CZ PHE A 41 -3.824 -11.042 -0.473 1.00 0.00 C ATOM 0 H PHE A 41 -1.454 -13.882 4.143 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.390 -11.010 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.800 -12.801 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.871 -11.083 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.263 -9.829 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.862 -13.227 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.515 -9.363 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.100 -12.776 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.931 -10.844 -1.529 1.00 0.00 H new ATOM 678 N THR A 42 -0.452 -11.146 5.824 1.00 0.00 N ATOM 679 CA THR A 42 -0.155 -10.871 7.207 1.00 0.00 C ATOM 680 C THR A 42 -1.170 -9.821 7.692 1.00 0.00 C ATOM 681 O THR A 42 -1.608 -9.825 8.825 1.00 0.00 O ATOM 682 CB THR A 42 1.306 -10.363 7.312 1.00 0.00 C ATOM 683 OG1 THR A 42 1.851 -10.760 8.561 1.00 0.00 O ATOM 684 CG2 THR A 42 1.389 -8.838 7.190 1.00 0.00 C ATOM 0 H THR A 42 0.304 -10.943 5.170 1.00 0.00 H new ATOM 0 HA THR A 42 -0.238 -11.760 7.833 1.00 0.00 H new ATOM 0 HB THR A 42 1.872 -10.799 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.775 -10.442 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.429 -8.523 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.988 -8.528 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.809 -8.377 7.989 1.00 0.00 H new ATOM 692 N ILE A 43 -1.524 -8.918 6.816 1.00 0.00 N ATOM 693 CA ILE A 43 -2.473 -7.879 7.191 1.00 0.00 C ATOM 694 C ILE A 43 -3.290 -7.400 5.998 1.00 0.00 C ATOM 695 O ILE A 43 -3.034 -7.743 4.859 1.00 0.00 O ATOM 696 CB ILE A 43 -1.735 -6.686 7.796 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.826 -6.074 6.737 1.00 0.00 C ATOM 698 CG2 ILE A 43 -0.897 -7.145 8.990 1.00 0.00 C ATOM 699 CD1 ILE A 43 -1.479 -4.823 6.155 1.00 0.00 C ATOM 0 H ILE A 43 -1.184 -8.871 5.856 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.153 -8.313 7.924 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.458 -5.944 8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.139 -5.821 7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.636 -6.798 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.373 -6.290 9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.549 -7.585 9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.171 -7.888 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.825 -4.390 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.433 -5.089 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.646 -4.096 6.950 1.00 0.00 H new ATOM 711 N SER A 44 -4.267 -6.581 6.279 1.00 0.00 N ATOM 712 CA SER A 44 -5.116 -6.034 5.245 1.00 0.00 C ATOM 713 C SER A 44 -5.951 -4.909 5.869 1.00 0.00 C ATOM 714 O SER A 44 -6.785 -5.150 6.719 1.00 0.00 O ATOM 715 CB SER A 44 -6.041 -7.125 4.705 1.00 0.00 C ATOM 716 OG SER A 44 -5.697 -7.405 3.355 1.00 0.00 O ATOM 0 H SER A 44 -4.499 -6.273 7.223 1.00 0.00 H new ATOM 0 HA SER A 44 -4.514 -5.650 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.951 -8.027 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.080 -6.801 4.768 1.00 0.00 H new ATOM 0 HG SER A 44 -6.287 -8.105 3.006 1.00 0.00 H new ATOM 722 N HIS A 45 -5.736 -3.684 5.469 1.00 0.00 N ATOM 723 CA HIS A 45 -6.506 -2.592 6.048 1.00 0.00 C ATOM 724 C HIS A 45 -7.479 -2.064 5.006 1.00 0.00 C ATOM 725 O HIS A 45 -7.083 -1.565 3.968 1.00 0.00 O ATOM 726 CB HIS A 45 -5.606 -1.432 6.475 1.00 0.00 C ATOM 727 CG HIS A 45 -4.153 -1.791 6.350 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.356 -1.995 5.256 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.332 -1.946 7.455 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.055 -2.270 5.668 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.097 -2.228 7.003 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.053 -3.411 4.762 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.026 -2.980 6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.821 -0.558 5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.827 -1.158 7.507 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.629 -1.857 8.489 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.197 -2.473 5.044 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.290 -2.390 7.606 1.00 0.00 H new ATOM 739 N MET A 46 -8.748 -2.174 5.269 1.00 0.00 N ATOM 740 CA MET A 46 -9.725 -1.704 4.319 1.00 0.00 C ATOM 741 C MET A 46 -9.619 -0.190 4.162 1.00 0.00 C ATOM 742 O MET A 46 -9.838 0.555 5.085 1.00 0.00 O ATOM 743 CB MET A 46 -11.128 -2.063 4.804 1.00 0.00 C ATOM 744 CG MET A 46 -11.746 -3.098 3.862 1.00 0.00 C ATOM 745 SD MET A 46 -11.885 -4.687 4.719 1.00 0.00 S ATOM 746 CE MET A 46 -12.608 -5.620 3.347 1.00 0.00 C ATOM 0 H MET A 46 -9.132 -2.580 6.122 1.00 0.00 H new ATOM 0 HA MET A 46 -9.536 -2.179 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.083 -2.460 5.818 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.752 -1.170 4.839 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.729 -2.764 3.532 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.130 -3.207 2.969 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.196 -6.629 3.336 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.690 -5.671 3.472 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.375 -5.122 2.406 1.00 0.00 H new ATOM 756 N TYR A 47 -9.253 0.248 2.997 1.00 0.00 N ATOM 757 CA TYR A 47 -9.113 1.668 2.742 1.00 0.00 C ATOM 758 C TYR A 47 -10.247 2.454 3.453 1.00 0.00 C ATOM 759 O TYR A 47 -9.992 3.432 4.112 1.00 0.00 O ATOM 760 CB TYR A 47 -9.146 1.900 1.221 1.00 0.00 C ATOM 761 CG TYR A 47 -7.759 1.700 0.615 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.602 1.659 1.423 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.624 1.573 -0.778 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.344 1.498 0.837 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.367 1.410 -1.348 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.226 1.376 -0.547 1.00 0.00 C ATOM 767 OH TYR A 47 -3.982 1.217 -1.122 1.00 0.00 O ATOM 0 H TYR A 47 -9.043 -0.351 2.199 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.164 2.029 3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.853 1.212 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.499 2.909 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.690 1.752 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.501 1.602 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.461 1.468 1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.273 1.309 -2.419 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.295 1.568 -0.518 1.00 0.00 H new ATOM 777 N ALA A 48 -11.485 2.022 3.372 1.00 0.00 N ATOM 778 CA ALA A 48 -12.554 2.741 4.080 1.00 0.00 C ATOM 779 C ALA A 48 -12.357 2.537 5.593 1.00 0.00 C ATOM 780 O ALA A 48 -12.540 3.426 6.401 1.00 0.00 O ATOM 781 CB ALA A 48 -13.916 2.189 3.654 1.00 0.00 C ATOM 0 H ALA A 48 -11.785 1.203 2.843 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.516 3.803 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.706 2.724 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.042 2.321 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.971 1.128 3.898 1.00 0.00 H new ATOM 787 N ASP A 49 -11.935 1.357 5.938 1.00 0.00 N ATOM 788 CA ASP A 49 -11.643 0.992 7.319 1.00 0.00 C ATOM 789 C ASP A 49 -10.426 1.795 7.819 1.00 0.00 C ATOM 790 O ASP A 49 -10.048 1.723 8.971 1.00 0.00 O ATOM 791 CB ASP A 49 -11.336 -0.504 7.400 1.00 0.00 C ATOM 792 CG ASP A 49 -12.611 -1.303 7.124 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.459 -0.799 6.406 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.718 -2.406 7.636 1.00 0.00 O ATOM 0 H ASP A 49 -11.777 0.602 5.271 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.508 1.218 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.565 -0.767 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.945 -0.753 8.386 1.00 0.00 H new ATOM 799 N ILE A 50 -9.820 2.558 6.950 1.00 0.00 N ATOM 800 CA ILE A 50 -8.674 3.347 7.347 1.00 0.00 C ATOM 801 C ILE A 50 -8.784 4.745 6.720 1.00 0.00 C ATOM 802 O ILE A 50 -9.141 4.866 5.571 1.00 0.00 O ATOM 803 CB ILE A 50 -7.416 2.657 6.836 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.506 2.510 5.315 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.296 1.273 7.476 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.417 1.552 4.827 1.00 0.00 C ATOM 0 H ILE A 50 -10.093 2.653 5.972 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.634 3.441 8.432 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.541 3.252 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.489 2.133 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.389 3.483 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.396 0.780 7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.238 1.377 8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.169 0.675 7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.482 1.448 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.437 1.948 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.555 0.577 5.294 1.00 0.00 H new ATOM 818 N LYS A 51 -8.466 5.818 7.409 1.00 0.00 N ATOM 819 CA LYS A 51 -8.573 7.084 6.722 1.00 0.00 C ATOM 820 C LYS A 51 -7.481 8.053 7.137 1.00 0.00 C ATOM 821 O LYS A 51 -7.537 8.698 8.165 1.00 0.00 O ATOM 822 CB LYS A 51 -9.916 7.737 7.001 1.00 0.00 C ATOM 823 CG LYS A 51 -10.179 8.745 5.884 1.00 0.00 C ATOM 824 CD LYS A 51 -9.179 9.902 5.993 1.00 0.00 C ATOM 825 CE LYS A 51 -9.726 11.127 5.258 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.923 12.240 6.229 1.00 0.00 N ATOM 0 H LYS A 51 -8.152 5.846 8.379 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.470 6.865 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.707 6.988 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.906 8.234 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.085 8.260 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.199 9.124 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.001 10.144 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.220 9.608 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.034 11.433 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.671 10.882 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.295 13.074 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.599 11.945 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.013 12.479 6.672 1.00 0.00 H new ATOM 840 N CYS A 52 -6.530 8.192 6.282 1.00 0.00 N ATOM 841 CA CYS A 52 -5.459 9.125 6.485 1.00 0.00 C ATOM 842 C CYS A 52 -4.450 8.895 5.384 1.00 0.00 C ATOM 843 O CYS A 52 -4.053 7.776 5.148 1.00 0.00 O ATOM 844 CB CYS A 52 -4.815 8.898 7.823 1.00 0.00 C ATOM 845 SG CYS A 52 -5.375 10.168 8.987 1.00 0.00 S ATOM 0 H CYS A 52 -6.465 7.661 5.413 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.835 10.148 6.463 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.071 7.907 8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.730 8.931 7.726 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.662 10.074 9.146 1.00 0.00 H new ATOM 851 N GLN A 53 -4.056 9.897 4.683 1.00 0.00 N ATOM 852 CA GLN A 53 -3.126 9.639 3.609 1.00 0.00 C ATOM 853 C GLN A 53 -2.117 10.767 3.469 1.00 0.00 C ATOM 854 O GLN A 53 -2.445 11.914 3.242 1.00 0.00 O ATOM 855 CB GLN A 53 -3.896 9.479 2.299 1.00 0.00 C ATOM 856 CG GLN A 53 -4.229 8.001 2.083 1.00 0.00 C ATOM 857 CD GLN A 53 -3.890 7.605 0.645 1.00 0.00 C ATOM 858 OE1 GLN A 53 -3.227 8.340 -0.059 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.320 6.465 0.177 1.00 0.00 N ATOM 0 H GLN A 53 -4.339 10.868 4.813 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.582 8.723 3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.812 10.069 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.301 9.855 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.666 7.384 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.286 7.823 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.877 5.848 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.099 6.191 -0.780 1.00 0.00 H new ATOM 868 N LYS A 54 -0.873 10.406 3.604 1.00 0.00 N ATOM 869 CA LYS A 54 0.204 11.354 3.493 1.00 0.00 C ATOM 870 C LYS A 54 1.259 10.742 2.567 1.00 0.00 C ATOM 871 O LYS A 54 1.887 9.757 2.902 1.00 0.00 O ATOM 872 CB LYS A 54 0.785 11.590 4.901 1.00 0.00 C ATOM 873 CG LYS A 54 2.304 11.795 4.841 1.00 0.00 C ATOM 874 CD LYS A 54 2.743 12.716 5.981 1.00 0.00 C ATOM 875 CE LYS A 54 4.076 12.223 6.550 1.00 0.00 C ATOM 876 NZ LYS A 54 5.034 11.983 5.435 1.00 0.00 N ATOM 0 H LYS A 54 -0.575 9.449 3.794 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.131 12.308 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.314 12.464 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.554 10.738 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.814 10.835 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.585 12.228 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.846 13.738 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.984 12.731 6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.484 12.961 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.924 11.305 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.002 12.181 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.968 10.991 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.802 12.608 4.637 1.00 0.00 H new ATOM 890 N ILE A 55 1.463 11.305 1.412 1.00 0.00 N ATOM 891 CA ILE A 55 2.454 10.744 0.520 1.00 0.00 C ATOM 892 C ILE A 55 3.401 11.844 0.058 1.00 0.00 C ATOM 893 O ILE A 55 3.084 12.630 -0.812 1.00 0.00 O ATOM 894 CB ILE A 55 1.757 10.131 -0.696 1.00 0.00 C ATOM 895 CG1 ILE A 55 0.461 9.452 -0.250 1.00 0.00 C ATOM 896 CG2 ILE A 55 2.678 9.096 -1.344 1.00 0.00 C ATOM 897 CD1 ILE A 55 0.794 8.176 0.525 1.00 0.00 C ATOM 0 H ILE A 55 0.975 12.131 1.065 1.00 0.00 H new ATOM 0 HA ILE A 55 3.019 9.973 1.044 1.00 0.00 H new ATOM 0 HB ILE A 55 1.528 10.915 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.120 10.129 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.154 9.213 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.182 8.659 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.602 9.579 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.907 8.311 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.129 7.692 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.357 7.498 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.392 8.428 1.401 1.00 0.00 H new ATOM 909 N SER A 56 4.570 11.897 0.625 1.00 0.00 N ATOM 910 CA SER A 56 5.519 12.906 0.220 1.00 0.00 C ATOM 911 C SER A 56 6.799 12.263 -0.332 1.00 0.00 C ATOM 912 O SER A 56 7.856 12.851 -0.224 1.00 0.00 O ATOM 913 CB SER A 56 5.870 13.783 1.422 1.00 0.00 C ATOM 914 OG SER A 56 4.951 14.865 1.498 1.00 0.00 O ATOM 0 H SER A 56 4.892 11.266 1.359 1.00 0.00 H new ATOM 0 HA SER A 56 5.068 13.511 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.834 13.195 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.888 14.161 1.326 1.00 0.00 H new ATOM 0 HG SER A 56 5.172 15.428 2.269 1.00 0.00 H new ATOM 920 N PRO A 57 6.695 11.084 -0.909 1.00 0.00 N ATOM 921 CA PRO A 57 7.960 10.518 -1.419 1.00 0.00 C ATOM 922 C PRO A 57 8.459 11.318 -2.619 1.00 0.00 C ATOM 923 O PRO A 57 9.544 11.094 -3.117 1.00 0.00 O ATOM 924 CB PRO A 57 7.679 9.066 -1.789 1.00 0.00 C ATOM 925 CG PRO A 57 6.207 8.782 -1.459 1.00 0.00 C ATOM 926 CD PRO A 57 5.591 10.087 -0.935 1.00 0.00 C ATOM 0 HA PRO A 57 8.746 10.567 -0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.874 8.896 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.333 8.395 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.675 8.436 -2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.127 7.993 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.779 10.421 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.169 9.947 0.060 1.00 0.00 H new ATOM 934 N GLU A 58 7.695 12.274 -3.068 1.00 0.00 N ATOM 935 CA GLU A 58 8.144 13.082 -4.177 1.00 0.00 C ATOM 936 C GLU A 58 9.372 13.875 -3.721 1.00 0.00 C ATOM 937 O GLU A 58 10.082 14.456 -4.518 1.00 0.00 O ATOM 938 CB GLU A 58 7.031 14.045 -4.596 1.00 0.00 C ATOM 939 CG GLU A 58 7.331 14.597 -5.991 1.00 0.00 C ATOM 940 CD GLU A 58 6.071 14.516 -6.854 1.00 0.00 C ATOM 941 OE1 GLU A 58 5.300 13.592 -6.656 1.00 0.00 O ATOM 942 OE2 GLU A 58 5.899 15.379 -7.699 1.00 0.00 O ATOM 0 H GLU A 58 6.776 12.513 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 58 8.398 12.451 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.071 13.529 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.954 14.862 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.670 15.631 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.138 14.028 -6.453 1.00 0.00 H new ATOM 949 N GLY A 59 9.635 13.890 -2.436 1.00 0.00 N ATOM 950 CA GLY A 59 10.788 14.605 -1.928 1.00 0.00 C ATOM 951 C GLY A 59 11.435 13.778 -0.808 1.00 0.00 C ATOM 952 O GLY A 59 12.195 14.285 -0.007 1.00 0.00 O ATOM 0 H GLY A 59 9.073 13.420 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.506 14.780 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.488 15.582 -1.549 1.00 0.00 H new ATOM 956 N LYS A 60 11.141 12.503 -0.754 1.00 0.00 N ATOM 957 CA LYS A 60 11.723 11.655 0.275 1.00 0.00 C ATOM 958 C LYS A 60 13.031 11.066 -0.269 1.00 0.00 C ATOM 959 O LYS A 60 13.924 11.788 -0.665 1.00 0.00 O ATOM 960 CB LYS A 60 10.726 10.534 0.630 1.00 0.00 C ATOM 961 CG LYS A 60 9.561 11.131 1.423 1.00 0.00 C ATOM 962 CD LYS A 60 9.942 11.223 2.902 1.00 0.00 C ATOM 963 CE LYS A 60 8.788 10.701 3.759 1.00 0.00 C ATOM 964 NZ LYS A 60 9.193 10.703 5.193 1.00 0.00 N ATOM 0 H LYS A 60 10.510 12.027 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 60 11.934 12.228 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.357 10.057 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.223 9.761 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.315 12.121 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.672 10.512 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.843 10.641 3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.168 12.256 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.906 11.325 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.518 9.692 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.352 10.580 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.859 9.923 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.652 11.608 5.423 1.00 0.00 H new ATOM 978 N ALA A 61 13.143 9.769 -0.327 1.00 0.00 N ATOM 979 CA ALA A 61 14.335 9.166 -0.864 1.00 0.00 C ATOM 980 C ALA A 61 13.914 8.329 -2.068 1.00 0.00 C ATOM 981 O ALA A 61 14.687 8.082 -2.973 1.00 0.00 O ATOM 982 CB ALA A 61 14.987 8.270 0.191 1.00 0.00 C ATOM 0 H ALA A 61 12.430 9.111 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 61 15.057 9.929 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.888 7.817 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.249 8.868 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.289 7.486 0.484 1.00 0.00 H new ATOM 988 N LYS A 62 12.675 7.903 -2.087 1.00 0.00 N ATOM 989 CA LYS A 62 12.187 7.118 -3.195 1.00 0.00 C ATOM 990 C LYS A 62 10.672 7.027 -3.134 1.00 0.00 C ATOM 991 O LYS A 62 9.966 7.637 -3.912 1.00 0.00 O ATOM 992 CB LYS A 62 12.805 5.708 -3.201 1.00 0.00 C ATOM 993 CG LYS A 62 13.559 5.446 -1.893 1.00 0.00 C ATOM 994 CD LYS A 62 14.153 4.045 -1.922 1.00 0.00 C ATOM 995 CE LYS A 62 15.370 4.023 -2.848 1.00 0.00 C ATOM 996 NZ LYS A 62 16.615 4.010 -2.030 1.00 0.00 N ATOM 0 H LYS A 62 11.990 8.085 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 62 12.483 7.614 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.021 4.962 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.486 5.607 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.349 6.185 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.883 5.548 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.443 3.741 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.407 3.330 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.335 3.144 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.360 4.896 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.431 3.808 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.743 4.938 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.542 3.275 -1.298 1.00 0.00 H new ATOM 1010 N ILE A 63 10.178 6.226 -2.264 1.00 0.00 N ATOM 1011 CA ILE A 63 8.736 6.054 -2.221 1.00 0.00 C ATOM 1012 C ILE A 63 8.221 5.427 -0.919 1.00 0.00 C ATOM 1013 O ILE A 63 7.938 4.248 -0.842 1.00 0.00 O ATOM 1014 CB ILE A 63 8.315 5.250 -3.445 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.938 4.604 -3.244 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.356 4.159 -3.721 1.00 0.00 C ATOM 1017 CD1 ILE A 63 6.036 4.954 -4.429 1.00 0.00 C ATOM 0 H ILE A 63 10.712 5.686 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 63 8.276 7.042 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 63 8.250 5.931 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.040 3.522 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.490 4.957 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.056 3.583 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.326 4.620 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.427 3.497 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.057 4.496 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.924 6.036 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.483 4.579 -5.350 1.00 0.00 H new ATOM 1029 N GLN A 64 8.055 6.241 0.083 1.00 0.00 N ATOM 1030 CA GLN A 64 7.520 5.765 1.344 1.00 0.00 C ATOM 1031 C GLN A 64 6.162 6.444 1.548 1.00 0.00 C ATOM 1032 O GLN A 64 6.027 7.633 1.344 1.00 0.00 O ATOM 1033 CB GLN A 64 8.461 6.128 2.497 1.00 0.00 C ATOM 1034 CG GLN A 64 9.212 7.420 2.167 1.00 0.00 C ATOM 1035 CD GLN A 64 10.318 7.643 3.200 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.406 8.699 3.795 1.00 0.00 O ATOM 1037 NE2 GLN A 64 11.170 6.685 3.441 1.00 0.00 N ATOM 0 H GLN A 64 8.279 7.236 0.061 1.00 0.00 H new ATOM 0 HA GLN A 64 7.416 4.680 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.891 6.253 3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.170 5.318 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.641 7.359 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.523 8.265 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.096 5.799 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.910 6.822 4.129 1.00 0.00 H new ATOM 1046 N LEU A 65 5.147 5.715 1.926 1.00 0.00 N ATOM 1047 CA LEU A 65 3.854 6.354 2.093 1.00 0.00 C ATOM 1048 C LEU A 65 3.333 6.179 3.527 1.00 0.00 C ATOM 1049 O LEU A 65 3.849 5.386 4.296 1.00 0.00 O ATOM 1050 CB LEU A 65 2.854 5.801 1.057 1.00 0.00 C ATOM 1051 CG LEU A 65 2.738 4.264 1.108 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.994 3.620 0.528 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.535 3.771 2.542 1.00 0.00 C ATOM 0 H LEU A 65 5.176 4.714 2.120 1.00 0.00 H new ATOM 0 HA LEU A 65 3.968 7.424 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.873 6.242 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.166 6.105 0.058 1.00 0.00 H new ATOM 0 HG LEU A 65 1.870 3.978 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.899 2.535 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.118 3.934 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.863 3.931 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.457 2.684 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.383 4.076 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.620 4.202 2.949 1.00 0.00 H new ATOM 1065 N GLN A 66 2.315 6.926 3.891 1.00 0.00 N ATOM 1066 CA GLN A 66 1.775 6.825 5.239 1.00 0.00 C ATOM 1067 C GLN A 66 0.242 6.948 5.217 1.00 0.00 C ATOM 1068 O GLN A 66 -0.318 7.854 4.632 1.00 0.00 O ATOM 1069 CB GLN A 66 2.361 7.943 6.102 1.00 0.00 C ATOM 1070 CG GLN A 66 2.883 7.355 7.414 1.00 0.00 C ATOM 1071 CD GLN A 66 3.063 8.474 8.441 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.163 8.734 8.887 1.00 0.00 O ATOM 1073 NE2 GLN A 66 2.022 9.153 8.838 1.00 0.00 N ATOM 0 H GLN A 66 1.846 7.602 3.287 1.00 0.00 H new ATOM 0 HA GLN A 66 2.043 5.853 5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.169 8.443 5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.600 8.696 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.185 6.608 7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.832 6.847 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.098 8.935 8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.132 9.901 9.522 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.428 6.022 5.850 1.00 0.00 N ATOM 1083 CA LEU A 67 -1.878 6.036 5.883 1.00 0.00 C ATOM 1084 C LEU A 67 -2.322 5.795 7.320 1.00 0.00 C ATOM 1085 O LEU A 67 -1.650 5.119 8.074 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.410 4.922 4.970 1.00 0.00 C ATOM 1087 CG LEU A 67 -3.942 4.892 5.004 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.492 4.892 3.575 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.411 3.625 5.715 1.00 0.00 C ATOM 0 H LEU A 67 0.002 5.245 6.352 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.266 6.993 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.065 5.084 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.013 3.959 5.291 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.304 5.772 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.581 4.871 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.161 5.792 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.126 4.013 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.501 3.604 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.043 2.750 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.025 3.616 6.734 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.441 6.328 7.719 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.866 6.098 9.083 1.00 0.00 C ATOM 1103 C VAL A 68 -5.261 5.528 9.122 1.00 0.00 C ATOM 1104 O VAL A 68 -6.038 5.600 8.189 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.801 7.348 9.954 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.642 6.929 11.411 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.587 8.168 9.584 1.00 0.00 C ATOM 0 H VAL A 68 -4.060 6.905 7.150 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.160 5.378 9.497 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.712 7.929 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.595 7.817 12.042 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.494 6.317 11.709 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.724 6.353 11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.546 9.060 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.686 7.574 9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.652 8.462 8.537 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.538 4.912 10.207 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.793 4.254 10.403 1.00 0.00 C ATOM 1119 C LEU A 69 -7.753 5.211 11.099 1.00 0.00 C ATOM 1120 O LEU A 69 -7.341 5.977 11.948 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.492 3.035 11.291 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.301 2.200 10.713 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.695 0.750 10.526 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.827 2.702 9.344 1.00 0.00 C ATOM 0 H LEU A 69 -4.900 4.843 11.000 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.256 3.945 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.252 3.367 12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.379 2.406 11.365 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.498 2.309 11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.850 0.192 10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.986 0.325 11.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.534 0.687 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.000 2.083 8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.649 2.644 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.495 3.736 9.431 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.032 5.175 10.774 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.965 6.065 11.454 1.00 0.00 C ATOM 1138 C HIS A 70 -9.628 5.986 12.940 1.00 0.00 C ATOM 1139 O HIS A 70 -9.736 6.938 13.687 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.408 5.609 11.218 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.476 4.109 11.235 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.294 3.371 12.394 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.713 3.193 10.241 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.424 2.071 12.072 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.680 1.907 10.772 1.00 0.00 N ATOM 0 H HIS A 70 -9.442 4.563 10.069 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.879 7.085 11.079 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.060 6.021 11.989 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.767 5.988 10.261 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.897 3.434 9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.332 1.259 12.779 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.821 1.028 10.275 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.155 4.836 13.332 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.735 4.639 14.692 1.00 0.00 C ATOM 1155 C ALA A 71 -7.379 5.331 14.854 1.00 0.00 C ATOM 1156 O ALA A 71 -7.114 6.345 14.239 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.595 3.144 14.983 1.00 0.00 C ATOM 0 H ALA A 71 -9.050 4.020 12.729 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.466 5.053 15.386 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.276 3.003 16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.555 2.652 14.829 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.853 2.711 14.312 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.539 4.825 15.702 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.254 5.466 15.933 1.00 0.00 C ATOM 1165 C GLY A 72 -4.135 4.552 15.460 1.00 0.00 C ATOM 1166 O GLY A 72 -3.216 4.233 16.188 1.00 0.00 O ATOM 0 H GLY A 72 -6.704 3.979 16.248 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.210 6.417 15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.132 5.688 16.993 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.226 4.120 14.248 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.216 3.233 13.727 1.00 0.00 C ATOM 1172 C ASP A 73 -2.718 3.777 12.401 1.00 0.00 C ATOM 1173 O ASP A 73 -3.485 4.115 11.525 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.802 1.833 13.541 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.698 1.057 14.856 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -2.601 0.964 15.381 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.718 0.569 15.315 1.00 0.00 O ATOM 0 H ASP A 73 -4.976 4.357 13.598 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.383 3.169 14.427 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.844 1.902 13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.267 1.305 12.752 1.00 0.00 H new ATOM 1182 N THR A 74 -1.432 3.877 12.258 1.00 0.00 N ATOM 1183 CA THR A 74 -0.886 4.405 11.035 1.00 0.00 C ATOM 1184 C THR A 74 -0.248 3.273 10.250 1.00 0.00 C ATOM 1185 O THR A 74 0.114 2.250 10.795 1.00 0.00 O ATOM 1186 CB THR A 74 0.169 5.464 11.360 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.248 6.213 12.493 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.342 6.399 10.162 1.00 0.00 C ATOM 0 H THR A 74 -0.744 3.605 12.960 1.00 0.00 H new ATOM 0 HA THR A 74 -1.680 4.861 10.443 1.00 0.00 H new ATOM 0 HB THR A 74 1.120 4.976 11.577 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.428 6.891 12.704 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.094 7.153 10.395 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.662 5.823 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.607 6.888 9.942 1.00 0.00 H new ATOM 1196 N THR A 75 -0.095 3.452 8.975 1.00 0.00 N ATOM 1197 CA THR A 75 0.514 2.427 8.172 1.00 0.00 C ATOM 1198 C THR A 75 1.680 3.068 7.427 1.00 0.00 C ATOM 1199 O THR A 75 1.488 3.936 6.599 1.00 0.00 O ATOM 1200 CB THR A 75 -0.506 1.886 7.167 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.818 2.209 7.607 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.363 0.367 7.056 1.00 0.00 C ATOM 0 H THR A 75 -0.379 4.290 8.467 1.00 0.00 H new ATOM 0 HA THR A 75 0.859 1.601 8.793 1.00 0.00 H new ATOM 0 HB THR A 75 -0.327 2.336 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.473 1.865 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.090 -0.016 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.643 0.120 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.540 -0.087 8.031 1.00 0.00 H new ATOM 1210 N ASN A 76 2.883 2.653 7.690 1.00 0.00 N ATOM 1211 CA ASN A 76 4.005 3.233 6.990 1.00 0.00 C ATOM 1212 C ASN A 76 4.557 2.174 6.050 1.00 0.00 C ATOM 1213 O ASN A 76 4.780 1.047 6.446 1.00 0.00 O ATOM 1214 CB ASN A 76 5.084 3.650 7.990 1.00 0.00 C ATOM 1215 CG ASN A 76 4.503 4.667 8.974 1.00 0.00 C ATOM 1216 OD1 ASN A 76 4.913 5.810 8.997 1.00 0.00 O ATOM 1217 ND2 ASN A 76 3.556 4.296 9.794 1.00 0.00 N ATOM 0 H ASN A 76 3.117 1.929 8.370 1.00 0.00 H new ATOM 0 HA ASN A 76 3.693 4.117 6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.453 2.777 8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.935 4.083 7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.161 4.966 10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.212 3.336 9.775 1.00 0.00 H new ATOM 1224 N PHE A 77 4.768 2.498 4.811 1.00 0.00 N ATOM 1225 CA PHE A 77 5.273 1.483 3.916 1.00 0.00 C ATOM 1226 C PHE A 77 6.259 2.080 2.909 1.00 0.00 C ATOM 1227 O PHE A 77 6.228 3.253 2.594 1.00 0.00 O ATOM 1228 CB PHE A 77 4.108 0.820 3.189 1.00 0.00 C ATOM 1229 CG PHE A 77 4.022 -0.626 3.607 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.190 -1.378 3.694 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.785 -1.222 3.890 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.140 -2.715 4.056 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.734 -2.567 4.257 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.919 -3.309 4.337 1.00 0.00 C ATOM 0 H PHE A 77 4.608 3.418 4.401 1.00 0.00 H new ATOM 0 HA PHE A 77 5.807 0.735 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.177 1.335 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.249 0.892 2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.142 -0.916 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.876 -0.643 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.050 -3.293 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.785 -3.034 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.882 -4.351 4.619 1.00 0.00 H new ATOM 1244 N HIS A 78 7.164 1.265 2.446 1.00 0.00 N ATOM 1245 CA HIS A 78 8.167 1.753 1.526 1.00 0.00 C ATOM 1246 C HIS A 78 8.648 0.668 0.561 1.00 0.00 C ATOM 1247 O HIS A 78 8.462 -0.509 0.751 1.00 0.00 O ATOM 1248 CB HIS A 78 9.368 2.287 2.320 1.00 0.00 C ATOM 1249 CG HIS A 78 10.353 2.930 1.380 1.00 0.00 C ATOM 1250 ND1 HIS A 78 10.421 4.176 0.782 1.00 0.00 N flip ATOM 1251 CD2 HIS A 78 11.456 2.240 0.922 1.00 0.00 C flip ATOM 1252 CE1 HIS A 78 11.542 4.240 -0.022 1.00 0.00 C flip ATOM 1253 NE2 HIS A 78 12.124 3.052 0.092 1.00 0.00 N flip ATOM 0 H HIS A 78 7.233 0.275 2.682 1.00 0.00 H new ATOM 0 HA HIS A 78 7.710 2.546 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.032 3.012 3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.848 1.473 2.864 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.747 4.930 0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.731 1.229 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.874 5.078 -0.617 1.00 0.00 H new ATOM 1261 N PHE A 79 9.266 1.120 -0.479 1.00 0.00 N ATOM 1262 CA PHE A 79 9.806 0.258 -1.513 1.00 0.00 C ATOM 1263 C PHE A 79 11.223 0.762 -1.774 1.00 0.00 C ATOM 1264 O PHE A 79 11.402 1.952 -1.804 1.00 0.00 O ATOM 1265 CB PHE A 79 8.974 0.465 -2.757 1.00 0.00 C ATOM 1266 CG PHE A 79 7.492 0.376 -2.443 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.802 1.524 -2.017 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.795 -0.826 -2.621 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.422 1.465 -1.770 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.424 -0.883 -2.365 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.737 0.255 -1.943 1.00 0.00 C ATOM 0 H PHE A 79 9.420 2.114 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 79 9.801 -0.796 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.199 1.439 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.237 -0.285 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.335 2.453 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.319 -1.709 -2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.890 2.348 -1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.892 -1.814 -2.494 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.676 0.204 -1.749 1.00 0.00 H new ATOM 1281 N SER A 80 12.252 -0.036 -1.995 1.00 0.00 N ATOM 1282 CA SER A 80 13.541 0.611 -2.204 1.00 0.00 C ATOM 1283 C SER A 80 14.503 -0.203 -3.086 1.00 0.00 C ATOM 1284 O SER A 80 15.466 0.341 -3.589 1.00 0.00 O ATOM 1285 CB SER A 80 14.200 0.807 -0.843 1.00 0.00 C ATOM 1286 OG SER A 80 15.184 1.828 -0.936 1.00 0.00 O ATOM 0 H SER A 80 12.235 -1.055 -2.034 1.00 0.00 H new ATOM 0 HA SER A 80 13.348 1.552 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.450 1.076 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.658 -0.125 -0.511 1.00 0.00 H new ATOM 0 HG SER A 80 16.044 1.432 -1.189 1.00 0.00 H new ATOM 1292 N ASN A 81 14.296 -1.483 -3.262 1.00 0.00 N ATOM 1293 CA ASN A 81 15.236 -2.256 -4.080 1.00 0.00 C ATOM 1294 C ASN A 81 15.594 -1.456 -5.334 1.00 0.00 C ATOM 1295 O ASN A 81 14.792 -1.311 -6.230 1.00 0.00 O ATOM 1296 CB ASN A 81 14.634 -3.600 -4.512 1.00 0.00 C ATOM 1297 CG ASN A 81 13.619 -4.090 -3.482 1.00 0.00 C ATOM 1298 OD1 ASN A 81 12.384 -3.690 -3.574 1.00 0.00 O flip ATOM 1299 ND2 ASN A 81 13.953 -4.841 -2.588 1.00 0.00 N flip ATOM 0 H ASN A 81 13.516 -2.011 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 81 16.123 -2.449 -3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.152 -3.493 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.427 -4.339 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.922 -5.153 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.265 -5.160 -1.906 1.00 0.00 H new ATOM 1306 N GLU A 82 16.788 -0.921 -5.389 1.00 0.00 N ATOM 1307 CA GLU A 82 17.197 -0.130 -6.541 1.00 0.00 C ATOM 1308 C GLU A 82 16.659 -0.751 -7.833 1.00 0.00 C ATOM 1309 O GLU A 82 16.169 -0.062 -8.706 1.00 0.00 O ATOM 1310 CB GLU A 82 18.724 -0.074 -6.602 1.00 0.00 C ATOM 1311 CG GLU A 82 19.279 -1.482 -6.824 1.00 0.00 C ATOM 1312 CD GLU A 82 20.775 -1.498 -6.503 1.00 0.00 C ATOM 1313 OE1 GLU A 82 21.122 -1.189 -5.375 1.00 0.00 O ATOM 1314 OE2 GLU A 82 21.548 -1.818 -7.391 1.00 0.00 O ATOM 0 H GLU A 82 17.495 -1.013 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 82 16.793 0.877 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 82 19.042 0.585 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 82 19.120 0.343 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.753 -2.196 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.115 -1.791 -7.856 1.00 0.00 H new ATOM 1321 N SER A 83 16.744 -2.044 -7.962 1.00 0.00 N ATOM 1322 CA SER A 83 16.250 -2.688 -9.165 1.00 0.00 C ATOM 1323 C SER A 83 14.786 -2.301 -9.392 1.00 0.00 C ATOM 1324 O SER A 83 14.352 -2.107 -10.510 1.00 0.00 O ATOM 1325 CB SER A 83 16.351 -4.202 -9.005 1.00 0.00 C ATOM 1326 OG SER A 83 16.846 -4.772 -10.210 1.00 0.00 O ATOM 0 H SER A 83 17.143 -2.673 -7.265 1.00 0.00 H new ATOM 0 HA SER A 83 16.847 -2.367 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.013 -4.448 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.373 -4.620 -8.767 1.00 0.00 H new ATOM 0 HG SER A 83 16.913 -5.744 -10.108 1.00 0.00 H new ATOM 1332 N THR A 84 14.021 -2.194 -8.341 1.00 0.00 N ATOM 1333 CA THR A 84 12.625 -1.839 -8.495 1.00 0.00 C ATOM 1334 C THR A 84 12.266 -0.756 -7.477 1.00 0.00 C ATOM 1335 O THR A 84 11.205 -0.763 -6.894 1.00 0.00 O ATOM 1336 CB THR A 84 11.767 -3.080 -8.232 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.433 -2.686 -7.942 1.00 0.00 O ATOM 1338 CG2 THR A 84 12.345 -3.851 -7.046 1.00 0.00 C ATOM 0 H THR A 84 14.328 -2.344 -7.380 1.00 0.00 H new ATOM 0 HA THR A 84 12.445 -1.468 -9.504 1.00 0.00 H new ATOM 0 HB THR A 84 11.767 -3.718 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.858 -2.890 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 84 11.737 -4.735 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.367 -4.155 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.344 -3.213 -6.162 1.00 0.00 H new ATOM 1346 N ALA A 85 13.159 0.144 -7.212 1.00 0.00 N ATOM 1347 CA ALA A 85 12.868 1.160 -6.220 1.00 0.00 C ATOM 1348 C ALA A 85 12.263 2.455 -6.792 1.00 0.00 C ATOM 1349 O ALA A 85 12.382 3.486 -6.161 1.00 0.00 O ATOM 1350 CB ALA A 85 14.146 1.511 -5.461 1.00 0.00 C ATOM 0 H ALA A 85 14.078 0.207 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 85 12.112 0.726 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.928 2.275 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.531 0.620 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.892 1.889 -6.160 1.00 0.00 H new ATOM 1356 N VAL A 86 11.641 2.488 -7.941 1.00 0.00 N ATOM 1357 CA VAL A 86 11.128 3.773 -8.395 1.00 0.00 C ATOM 1358 C VAL A 86 9.793 3.604 -9.145 1.00 0.00 C ATOM 1359 O VAL A 86 8.759 3.456 -8.533 1.00 0.00 O ATOM 1360 CB VAL A 86 12.159 4.433 -9.313 1.00 0.00 C ATOM 1361 CG1 VAL A 86 11.618 5.775 -9.810 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.456 4.666 -8.535 1.00 0.00 C ATOM 0 H VAL A 86 11.478 1.692 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 86 10.949 4.403 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 86 12.355 3.782 -10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.353 6.244 -10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.693 5.612 -10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.422 6.426 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.192 5.136 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.258 5.317 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.844 3.711 -8.180 1.00 0.00 H new ATOM 1372 N LYS A 87 9.810 3.653 -10.463 1.00 0.00 N ATOM 1373 CA LYS A 87 8.577 3.529 -11.244 1.00 0.00 C ATOM 1374 C LYS A 87 7.597 2.560 -10.573 1.00 0.00 C ATOM 1375 O LYS A 87 6.534 2.946 -10.131 1.00 0.00 O ATOM 1376 CB LYS A 87 8.918 3.012 -12.643 1.00 0.00 C ATOM 1377 CG LYS A 87 8.967 4.186 -13.623 1.00 0.00 C ATOM 1378 CD LYS A 87 7.914 3.984 -14.715 1.00 0.00 C ATOM 1379 CE LYS A 87 7.149 5.290 -14.935 1.00 0.00 C ATOM 1380 NZ LYS A 87 5.768 5.155 -14.393 1.00 0.00 N ATOM 0 H LYS A 87 10.655 3.777 -11.021 1.00 0.00 H new ATOM 0 HA LYS A 87 8.106 4.510 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.878 2.497 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.172 2.286 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.784 5.122 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.959 4.260 -14.069 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.393 3.670 -15.643 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.224 3.190 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.665 6.114 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.112 5.527 -15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.248 6.043 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.277 4.380 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.813 4.948 -13.375 1.00 0.00 H new ATOM 1394 N GLU A 88 7.957 1.310 -10.500 1.00 0.00 N ATOM 1395 CA GLU A 88 7.098 0.308 -9.878 1.00 0.00 C ATOM 1396 C GLU A 88 6.376 0.899 -8.670 1.00 0.00 C ATOM 1397 O GLU A 88 5.165 0.985 -8.622 1.00 0.00 O ATOM 1398 CB GLU A 88 7.965 -0.844 -9.370 1.00 0.00 C ATOM 1399 CG GLU A 88 9.366 -0.340 -9.038 1.00 0.00 C ATOM 1400 CD GLU A 88 10.350 -0.930 -10.042 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.310 -2.132 -10.246 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.130 -0.170 -10.593 1.00 0.00 O ATOM 0 H GLU A 88 8.839 0.947 -10.861 1.00 0.00 H new ATOM 0 HA GLU A 88 6.373 -0.032 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.511 -1.288 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.022 -1.627 -10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.395 0.749 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.641 -0.630 -8.024 1.00 0.00 H new ATOM 1409 N ARG A 89 7.131 1.305 -7.701 1.00 0.00 N ATOM 1410 CA ARG A 89 6.561 1.886 -6.504 1.00 0.00 C ATOM 1411 C ARG A 89 5.799 3.129 -6.929 1.00 0.00 C ATOM 1412 O ARG A 89 4.663 3.349 -6.567 1.00 0.00 O ATOM 1413 CB ARG A 89 7.701 2.252 -5.547 1.00 0.00 C ATOM 1414 CG ARG A 89 8.809 1.191 -5.645 1.00 0.00 C ATOM 1415 CD ARG A 89 8.173 -0.203 -5.579 1.00 0.00 C ATOM 1416 NE ARG A 89 9.197 -1.222 -5.603 1.00 0.00 N ATOM 1417 CZ ARG A 89 8.910 -2.441 -5.228 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.699 -2.746 -4.845 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.833 -3.358 -5.242 1.00 0.00 N ATOM 0 H ARG A 89 8.149 1.250 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 89 5.890 1.194 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.100 3.235 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.328 2.311 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.362 1.309 -6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.524 1.317 -4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.578 -0.296 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.493 -0.341 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 89 10.141 -0.991 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.971 -2.031 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.481 -3.699 -4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.779 -3.125 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.611 -4.310 -4.950 1.00 0.00 H new ATOM 1433 N ASP A 90 6.437 3.920 -7.729 1.00 0.00 N ATOM 1434 CA ASP A 90 5.808 5.121 -8.232 1.00 0.00 C ATOM 1435 C ASP A 90 4.454 4.745 -8.851 1.00 0.00 C ATOM 1436 O ASP A 90 3.566 5.570 -8.985 1.00 0.00 O ATOM 1437 CB ASP A 90 6.700 5.759 -9.299 1.00 0.00 C ATOM 1438 CG ASP A 90 7.484 6.920 -8.686 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.131 7.337 -7.595 1.00 0.00 O ATOM 1440 OD2 ASP A 90 8.425 7.372 -9.317 1.00 0.00 O ATOM 0 H ASP A 90 7.392 3.766 -8.054 1.00 0.00 H new ATOM 0 HA ASP A 90 5.661 5.832 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.388 5.016 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.092 6.116 -10.130 1.00 0.00 H new ATOM 1445 N ALA A 91 4.244 3.481 -9.133 1.00 0.00 N ATOM 1446 CA ALA A 91 2.966 3.056 -9.644 1.00 0.00 C ATOM 1447 C ALA A 91 2.154 2.543 -8.458 1.00 0.00 C ATOM 1448 O ALA A 91 0.953 2.690 -8.410 1.00 0.00 O ATOM 1449 CB ALA A 91 3.159 1.936 -10.667 1.00 0.00 C ATOM 0 H ALA A 91 4.933 2.738 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 91 2.453 3.881 -10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.188 1.620 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.773 2.298 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.654 1.090 -10.191 1.00 0.00 H new ATOM 1455 N VAL A 92 2.828 1.996 -7.472 1.00 0.00 N ATOM 1456 CA VAL A 92 2.135 1.538 -6.282 1.00 0.00 C ATOM 1457 C VAL A 92 1.587 2.783 -5.603 1.00 0.00 C ATOM 1458 O VAL A 92 0.400 2.924 -5.371 1.00 0.00 O ATOM 1459 CB VAL A 92 3.115 0.836 -5.328 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.559 0.862 -3.902 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.306 -0.621 -5.739 1.00 0.00 C ATOM 0 H VAL A 92 3.839 1.857 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 92 1.347 0.830 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 92 4.069 1.361 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.257 0.363 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.424 1.895 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.599 0.346 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.003 -1.104 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.347 -1.137 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.705 -0.664 -6.752 1.00 0.00 H new ATOM 1471 N LYS A 93 2.460 3.708 -5.321 1.00 0.00 N ATOM 1472 CA LYS A 93 2.033 4.937 -4.718 1.00 0.00 C ATOM 1473 C LYS A 93 0.922 5.497 -5.601 1.00 0.00 C ATOM 1474 O LYS A 93 -0.158 5.801 -5.123 1.00 0.00 O ATOM 1475 CB LYS A 93 3.222 5.897 -4.643 1.00 0.00 C ATOM 1476 CG LYS A 93 2.731 7.342 -4.550 1.00 0.00 C ATOM 1477 CD LYS A 93 3.881 8.232 -4.080 1.00 0.00 C ATOM 1478 CE LYS A 93 5.002 8.206 -5.123 1.00 0.00 C ATOM 1479 NZ LYS A 93 6.323 8.307 -4.442 1.00 0.00 N ATOM 0 H LYS A 93 3.462 3.636 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 93 1.663 4.790 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.837 5.658 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.852 5.776 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.368 7.679 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.894 7.411 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.529 9.253 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.256 7.883 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.951 7.285 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.879 9.032 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.081 8.087 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.453 9.273 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.359 7.632 -3.652 1.00 0.00 H new ATOM 1493 N ASP A 94 1.161 5.604 -6.902 1.00 0.00 N ATOM 1494 CA ASP A 94 0.121 6.100 -7.795 1.00 0.00 C ATOM 1495 C ASP A 94 -1.232 5.541 -7.340 1.00 0.00 C ATOM 1496 O ASP A 94 -2.075 6.271 -6.856 1.00 0.00 O ATOM 1497 CB ASP A 94 0.412 5.637 -9.224 1.00 0.00 C ATOM 1498 CG ASP A 94 1.298 6.667 -9.925 1.00 0.00 C ATOM 1499 OD1 ASP A 94 1.506 7.726 -9.355 1.00 0.00 O ATOM 1500 OD2 ASP A 94 1.755 6.380 -11.019 1.00 0.00 O ATOM 0 H ASP A 94 2.042 5.361 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 94 0.098 7.189 -7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.907 4.666 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.521 5.510 -9.773 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.447 4.256 -7.498 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.722 3.676 -7.082 1.00 0.00 C ATOM 1507 C LEU A 95 -3.141 4.274 -5.743 1.00 0.00 C ATOM 1508 O LEU A 95 -4.250 4.738 -5.600 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.622 2.157 -6.912 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.584 1.582 -7.860 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.703 0.061 -7.865 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.822 2.119 -9.274 1.00 0.00 C ATOM 0 H LEU A 95 -0.780 3.598 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.453 3.899 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.355 1.917 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.592 1.699 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.587 1.873 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.961 -0.360 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.532 -0.321 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.701 -0.225 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.075 1.704 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.818 1.830 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.743 3.206 -9.268 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.269 4.260 -4.760 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.617 4.815 -3.456 1.00 0.00 C ATOM 1526 C LEU A 96 -3.435 6.097 -3.629 1.00 0.00 C ATOM 1527 O LEU A 96 -4.594 6.168 -3.271 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.337 5.155 -2.683 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.465 3.903 -2.486 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.394 4.083 -1.238 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.349 2.664 -2.314 1.00 0.00 C ATOM 0 H LEU A 96 -1.326 3.878 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.203 4.076 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.772 5.915 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.595 5.579 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 96 0.169 3.769 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.015 3.199 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.032 4.958 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.250 4.221 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.720 1.785 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.990 2.793 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.967 2.532 -3.202 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.830 7.113 -4.170 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.549 8.371 -4.359 1.00 0.00 C ATOM 1545 C GLN A 97 -4.654 8.193 -5.409 1.00 0.00 C ATOM 1546 O GLN A 97 -5.410 9.103 -5.685 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.586 9.467 -4.819 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.374 9.496 -3.891 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.154 8.946 -4.627 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.324 8.068 -5.576 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 0.965 9.319 -4.337 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.861 7.113 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.995 8.661 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.268 9.281 -5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.088 10.435 -4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.182 10.516 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.572 8.902 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.097 10.006 -3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.772 8.945 -4.836 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.757 7.030 -5.990 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.781 6.792 -6.986 1.00 0.00 C ATOM 1562 C GLN A 98 -6.999 6.129 -6.324 1.00 0.00 C ATOM 1563 O GLN A 98 -8.129 6.390 -6.688 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.217 5.875 -8.070 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.951 6.125 -9.389 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.843 4.926 -9.714 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -8.024 5.080 -9.954 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.325 3.728 -9.733 1.00 0.00 N ATOM 0 H GLN A 98 -4.151 6.232 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.090 7.737 -7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.150 6.058 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.329 4.832 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.554 7.030 -9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.232 6.285 -10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.334 3.598 -9.532 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.912 2.922 -9.949 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.783 5.282 -5.347 1.00 0.00 N ATOM 1578 CA LEU A 99 -7.911 4.639 -4.681 1.00 0.00 C ATOM 1579 C LEU A 99 -8.337 5.511 -3.508 1.00 0.00 C ATOM 1580 O LEU A 99 -9.475 5.497 -3.095 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.530 3.256 -4.123 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.170 2.813 -4.639 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.142 3.167 -3.582 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.165 1.302 -4.866 1.00 0.00 C ATOM 0 H LEU A 99 -5.862 5.020 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.711 4.515 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.515 3.291 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.286 2.525 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.943 3.307 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.152 2.862 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.151 4.244 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.383 2.650 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.187 0.993 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.375 0.792 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.929 1.042 -5.599 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.410 6.232 -2.937 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.719 7.058 -1.789 1.00 0.00 C ATOM 1598 C LEU A 100 -9.047 7.767 -2.054 1.00 0.00 C ATOM 1599 O LEU A 100 -9.902 7.846 -1.196 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.585 8.072 -1.559 1.00 0.00 C ATOM 1601 CG LEU A 100 -7.116 9.320 -0.843 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -6.115 9.759 0.225 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -7.302 10.453 -1.855 1.00 0.00 C ATOM 0 H LEU A 100 -6.437 6.268 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.809 6.450 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.795 7.614 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.143 8.354 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.073 9.087 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.492 10.646 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.979 8.955 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.159 9.989 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.679 11.339 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.345 10.684 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.014 10.144 -2.620 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.174 8.218 -3.266 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.427 8.884 -3.673 1.00 0.00 C ATOM 1617 C PRO A 101 -11.611 7.911 -3.571 1.00 0.00 C ATOM 1618 O PRO A 101 -12.715 8.282 -3.223 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.177 9.262 -5.131 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.659 9.290 -5.343 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.051 8.481 -4.202 1.00 0.00 C ATOM 0 HA PRO A 101 -10.674 9.741 -3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.645 8.540 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.614 10.235 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.394 8.860 -6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.285 10.314 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.617 7.550 -4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.251 9.034 -3.711 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.374 6.672 -3.885 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.417 5.660 -3.838 1.00 0.00 C ATOM 1631 C LYS A 102 -13.166 5.689 -2.503 1.00 0.00 C ATOM 1632 O LYS A 102 -14.373 5.557 -2.458 1.00 0.00 O ATOM 1633 CB LYS A 102 -11.760 4.290 -3.981 1.00 0.00 C ATOM 1634 CG LYS A 102 -12.822 3.194 -3.943 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.687 2.310 -5.183 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.819 2.625 -6.163 1.00 0.00 C ATOM 1637 NZ LYS A 102 -13.336 2.435 -7.560 1.00 0.00 N ATOM 0 H LYS A 102 -10.462 6.324 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.127 5.857 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.207 4.239 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.040 4.138 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.708 2.593 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.817 3.638 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.722 2.480 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.721 1.258 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.672 1.974 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.162 3.650 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.106 2.649 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.535 3.073 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.030 1.450 -7.690 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.463 5.816 -1.414 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.130 5.800 -0.122 1.00 0.00 C ATOM 1653 C PHE A 103 -13.136 7.202 0.485 1.00 0.00 C ATOM 1654 O PHE A 103 -13.670 7.421 1.554 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.424 4.816 0.832 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.003 4.606 0.378 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -10.756 3.860 -0.777 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -9.942 5.173 1.093 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.449 3.678 -1.225 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -8.627 4.988 0.649 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.381 4.240 -0.512 1.00 0.00 C ATOM 0 H PHE A 103 -11.450 5.930 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.160 5.472 -0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.438 5.207 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -12.956 3.865 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.579 3.424 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.137 5.751 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.259 3.105 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.804 5.420 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.368 4.097 -0.857 1.00 0.00 H new ATOM 1671 N LYS A 104 -12.568 8.160 -0.193 1.00 0.00 N ATOM 1672 CA LYS A 104 -12.573 9.511 0.338 1.00 0.00 C ATOM 1673 C LYS A 104 -13.746 10.279 -0.265 1.00 0.00 C ATOM 1674 O LYS A 104 -13.786 11.493 -0.267 1.00 0.00 O ATOM 1675 CB LYS A 104 -11.264 10.218 -0.008 1.00 0.00 C ATOM 1676 CG LYS A 104 -10.341 10.211 1.211 1.00 0.00 C ATOM 1677 CD LYS A 104 -9.957 8.770 1.551 1.00 0.00 C ATOM 1678 CE LYS A 104 -9.150 8.749 2.849 1.00 0.00 C ATOM 1679 NZ LYS A 104 -7.719 9.020 2.547 1.00 0.00 N ATOM 0 H LYS A 104 -12.104 8.045 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.674 9.472 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.779 9.718 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.464 11.243 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.446 10.799 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.840 10.676 2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.854 8.159 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.372 8.337 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.535 9.498 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.253 7.780 3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.137 8.776 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.421 8.446 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.596 10.028 2.323 1.00 0.00 H new ATOM 1693 N ARG A 105 -14.694 9.563 -0.782 1.00 0.00 N ATOM 1694 CA ARG A 105 -15.851 10.195 -1.390 1.00 0.00 C ATOM 1695 C ARG A 105 -16.480 11.178 -0.400 1.00 0.00 C ATOM 1696 O ARG A 105 -16.251 12.369 -0.464 1.00 0.00 O ATOM 1697 CB ARG A 105 -16.876 9.124 -1.770 1.00 0.00 C ATOM 1698 CG ARG A 105 -17.028 9.081 -3.292 1.00 0.00 C ATOM 1699 CD ARG A 105 -18.357 8.414 -3.655 1.00 0.00 C ATOM 1700 NE ARG A 105 -18.107 7.068 -4.135 1.00 0.00 N ATOM 1701 CZ ARG A 105 -19.086 6.206 -4.213 1.00 0.00 C ATOM 1702 NH1 ARG A 105 -20.296 6.550 -3.862 1.00 0.00 N ATOM 1703 NH2 ARG A 105 -18.854 4.996 -4.645 1.00 0.00 N ATOM 0 H ARG A 105 -14.702 8.543 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 105 -15.540 10.734 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.556 8.151 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.837 9.343 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -16.993 10.091 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.199 8.529 -3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.012 8.385 -2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.871 8.995 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.165 6.794 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.480 7.495 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.057 5.874 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.910 4.725 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -19.617 4.322 -4.707 1.00 0.00 H new ATOM 1717 N LYS A 106 -17.276 10.689 0.511 1.00 0.00 N ATOM 1718 CA LYS A 106 -17.904 11.574 1.474 1.00 0.00 C ATOM 1719 C LYS A 106 -17.563 11.112 2.892 1.00 0.00 C ATOM 1720 O LYS A 106 -17.224 9.967 3.118 1.00 0.00 O ATOM 1721 CB LYS A 106 -19.421 11.545 1.279 1.00 0.00 C ATOM 1722 CG LYS A 106 -19.932 10.115 1.463 1.00 0.00 C ATOM 1723 CD LYS A 106 -21.347 10.148 2.043 1.00 0.00 C ATOM 1724 CE LYS A 106 -22.282 9.323 1.157 1.00 0.00 C ATOM 1725 NZ LYS A 106 -21.975 7.875 1.324 1.00 0.00 N ATOM 0 H LYS A 106 -17.507 9.701 0.613 1.00 0.00 H new ATOM 0 HA LYS A 106 -17.537 12.590 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -19.903 12.210 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.677 11.909 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -19.932 9.592 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -19.268 9.563 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.345 9.749 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -21.702 11.177 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -23.320 9.519 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.161 9.613 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.622 7.313 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -20.994 7.692 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -22.095 7.607 2.322 1.00 0.00 H new ATOM 1739 N ALA A 107 -17.653 11.994 3.849 1.00 0.00 N ATOM 1740 CA ALA A 107 -17.345 11.618 5.215 1.00 0.00 C ATOM 1741 C ALA A 107 -18.579 10.976 5.854 1.00 0.00 C ATOM 1742 O ALA A 107 -19.616 10.850 5.233 1.00 0.00 O ATOM 1743 CB ALA A 107 -16.947 12.862 6.010 1.00 0.00 C ATOM 0 H ALA A 107 -17.932 12.966 3.719 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.519 10.906 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -16.716 12.579 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.070 13.320 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.772 13.575 6.007 1.00 0.00 H new ATOM 1749 N ASN A 108 -18.475 10.568 7.089 1.00 0.00 N ATOM 1750 CA ASN A 108 -19.612 9.952 7.746 1.00 0.00 C ATOM 1751 C ASN A 108 -19.425 10.026 9.263 1.00 0.00 C ATOM 1752 O ASN A 108 -18.877 9.089 9.819 1.00 0.00 O ATOM 1753 CB ASN A 108 -19.721 8.488 7.315 1.00 0.00 C ATOM 1754 CG ASN A 108 -18.320 7.907 7.116 1.00 0.00 C ATOM 1755 OD1 ASN A 108 -17.716 7.413 8.048 1.00 0.00 O ATOM 1756 ND2 ASN A 108 -17.773 7.945 5.932 1.00 0.00 N ATOM 1757 OXT ASN A 108 -19.834 11.019 9.842 1.00 0.00 O ATOM 0 H ASN A 108 -17.633 10.645 7.659 1.00 0.00 H new ATOM 0 HA ASN A 108 -20.523 10.480 7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -20.260 7.915 8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -20.292 8.412 6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -16.839 7.560 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -18.279 8.359 5.149 1.00 0.00 H new TER 1764 ASN A 108