USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 109 CYS SG : rot 180:sc= 0.697 USER MOD Set 1.2: A 111 SER OG : rot 88:sc= 0.462 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.69! C(o=-2.7!,f=-2.9!) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.16 F(o=-1.7!,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 139:sc= 1.11 (180deg=0.104) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.0305 (180deg=-0.232) USER MOD Single : A 25 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.3) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.147 F(o=-1.8!,f=-0.15) USER MOD Single : A 32 GLN : amide:sc= -0.83 X(o=-0.83,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 0.0452 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 38 ASN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.14) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.076 (180deg=-0.338) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 25:sc= 0.69 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 35:sc= 0.0873 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.07 (180deg=0.86) USER MOD Single : A 62 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-4.9!) USER MOD Single : A 63 GLN : amide:sc= -1.48! C(o=-1.5!,f=-9.9!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 69 SER OG : rot -49:sc= 1.64 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -4.91! C(o=-4.9!,f=-6.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 32:sc= 0.989 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 100:sc= -2.07! USER MOD Single : A 91 SER OG : rot 180:sc= 0.96 USER MOD Single : A 94 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.51) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= -0.0576 USER MOD Single : A 104 ASN :FLIP amide:sc= -6.36! C(o=-6.9!,f=-6.4!) USER MOD Single : A 107 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.038) USER MOD Single : A 108 TYR OH : rot 43:sc= -0.0791 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.2) USER MOD Single : A 113 GLN :FLIP amide:sc= -3.88! C(o=-5.2!,f=-3.9!) USER MOD Single : A 116 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.2) USER MOD Single : A 120 TYR OH : rot -15:sc= -2.51! USER MOD Single : A 123 LYS NZ :NH3+ -165:sc= -1.15 (180deg=-1.67) USER MOD Single : A 124 GLN : amide:sc= 0.398 K(o=0.4,f=-0.76) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 10.648 -21.358 -4.728 1.00 0.00 N ATOM 2 CA PRO A 5 10.008 -20.207 -4.144 1.00 0.00 C ATOM 3 C PRO A 5 8.825 -19.758 -4.960 1.00 0.00 C ATOM 4 O PRO A 5 8.809 -19.850 -6.195 1.00 0.00 O ATOM 5 CB PRO A 5 11.084 -19.141 -4.127 1.00 0.00 C ATOM 6 CG PRO A 5 12.016 -19.542 -5.211 1.00 0.00 C ATOM 7 CD PRO A 5 11.970 -21.030 -5.262 1.00 0.00 C ATOM 0 HA PRO A 5 9.616 -20.423 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.666 -18.151 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.590 -19.102 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.714 -19.109 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.027 -19.190 -5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.093 -21.399 -6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.765 -21.475 -4.664 1.00 0.00 H new ATOM 15 N VAL A 6 7.878 -19.287 -4.269 1.00 0.00 N ATOM 16 CA VAL A 6 6.611 -18.905 -4.773 1.00 0.00 C ATOM 17 C VAL A 6 5.855 -18.399 -3.556 1.00 0.00 C ATOM 18 O VAL A 6 6.252 -18.724 -2.425 1.00 0.00 O ATOM 19 CB VAL A 6 5.891 -20.157 -5.388 1.00 0.00 C ATOM 20 CG1 VAL A 6 5.577 -21.208 -4.333 1.00 0.00 C ATOM 21 CG2 VAL A 6 4.660 -19.774 -6.153 1.00 0.00 C ATOM 0 H VAL A 6 7.961 -19.143 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 6 6.674 -18.151 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 6 6.591 -20.603 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.079 -22.057 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.503 -21.543 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.923 -20.778 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.192 -20.670 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.959 -19.271 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.932 -19.103 -6.968 1.00 0.00 H new ATOM 31 N CYS A 7 4.834 -17.609 -3.724 1.00 0.00 N ATOM 32 CA CYS A 7 4.134 -17.166 -2.582 1.00 0.00 C ATOM 33 C CYS A 7 2.942 -18.062 -2.292 1.00 0.00 C ATOM 34 O CYS A 7 2.093 -18.303 -3.148 1.00 0.00 O ATOM 35 CB CYS A 7 3.733 -15.698 -2.659 1.00 0.00 C ATOM 36 SG CYS A 7 3.015 -15.075 -1.115 1.00 0.00 S ATOM 0 H CYS A 7 4.484 -17.272 -4.621 1.00 0.00 H new ATOM 0 HA CYS A 7 4.826 -17.241 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.609 -15.101 -2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.013 -15.566 -3.467 1.00 0.00 H new ATOM 41 N ARG A 8 2.925 -18.580 -1.091 1.00 0.00 N ATOM 42 CA ARG A 8 1.851 -19.409 -0.585 1.00 0.00 C ATOM 43 C ARG A 8 1.088 -18.661 0.474 1.00 0.00 C ATOM 44 O ARG A 8 0.241 -19.214 1.163 1.00 0.00 O ATOM 45 CB ARG A 8 2.433 -20.675 0.026 1.00 0.00 C ATOM 46 CG ARG A 8 3.161 -21.542 -0.967 1.00 0.00 C ATOM 47 CD ARG A 8 2.256 -21.969 -2.101 1.00 0.00 C ATOM 48 NE ARG A 8 2.967 -22.815 -3.038 1.00 0.00 N ATOM 49 CZ ARG A 8 2.518 -23.232 -4.213 1.00 0.00 C ATOM 50 NH1 ARG A 8 1.301 -22.891 -4.626 1.00 0.00 N ATOM 51 NH2 ARG A 8 3.299 -23.989 -4.976 1.00 0.00 N ATOM 0 H ARG A 8 3.676 -18.435 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 8 1.181 -19.667 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.119 -20.400 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.628 -21.253 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.016 -20.998 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.553 -22.424 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.394 -22.505 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.873 -21.089 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 8 3.902 -23.119 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.708 -22.306 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.960 -23.215 -5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.233 -24.243 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.964 -24.316 -5.882 1.00 0.00 H new ATOM 65 N HIS A 9 1.364 -17.385 0.560 1.00 0.00 N ATOM 66 CA HIS A 9 0.769 -16.504 1.579 1.00 0.00 C ATOM 67 C HIS A 9 -0.258 -15.626 0.927 1.00 0.00 C ATOM 68 O HIS A 9 -0.661 -14.630 1.506 1.00 0.00 O ATOM 69 CB HIS A 9 1.816 -15.536 2.171 1.00 0.00 C ATOM 70 CG HIS A 9 3.042 -16.141 2.747 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.263 -15.880 2.196 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.197 -16.913 3.849 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.149 -16.499 2.972 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.541 -17.138 3.986 1.00 0.00 N ATOM 0 H HIS A 9 2.009 -16.908 -0.070 1.00 0.00 H new ATOM 0 HA HIS A 9 0.353 -17.146 2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.117 -14.842 1.387 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.331 -14.947 2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.413 -17.280 4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.217 -16.489 2.809 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.994 -17.686 4.718 1.00 0.00 H new ATOM 82 N ILE A 10 -0.672 -15.992 -0.269 1.00 0.00 N ATOM 83 CA ILE A 10 -1.541 -15.151 -1.063 1.00 0.00 C ATOM 84 C ILE A 10 -2.834 -14.888 -0.365 1.00 0.00 C ATOM 85 O ILE A 10 -3.195 -13.791 -0.139 1.00 0.00 O ATOM 86 CB ILE A 10 -1.812 -15.781 -2.428 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.475 -16.087 -3.054 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.648 -14.838 -3.306 1.00 0.00 C ATOM 89 CD1 ILE A 10 -0.524 -16.476 -4.501 1.00 0.00 C ATOM 0 H ILE A 10 -0.418 -16.874 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.026 -14.201 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.391 -16.698 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.166 -15.211 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.005 -16.894 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.829 -15.307 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.601 -14.635 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.108 -13.902 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.486 -16.676 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.134 -17.372 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.960 -15.663 -5.082 1.00 0.00 H new ATOM 101 N ARG A 11 -3.462 -15.927 0.030 1.00 0.00 N ATOM 102 CA ARG A 11 -4.772 -15.862 0.692 1.00 0.00 C ATOM 103 C ARG A 11 -4.667 -15.186 2.068 1.00 0.00 C ATOM 104 O ARG A 11 -5.647 -14.659 2.594 1.00 0.00 O ATOM 105 CB ARG A 11 -5.316 -17.254 0.846 1.00 0.00 C ATOM 106 CG ARG A 11 -5.335 -18.026 -0.462 1.00 0.00 C ATOM 107 CD ARG A 11 -5.769 -19.463 -0.283 1.00 0.00 C ATOM 108 NE ARG A 11 -7.185 -19.613 0.046 1.00 0.00 N ATOM 109 CZ ARG A 11 -7.857 -20.762 -0.075 1.00 0.00 C ATOM 110 NH1 ARG A 11 -7.217 -21.873 -0.440 1.00 0.00 N ATOM 111 NH2 ARG A 11 -9.160 -20.807 0.175 1.00 0.00 N ATOM 0 H ARG A 11 -3.104 -16.875 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.445 -15.265 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.713 -17.796 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.328 -17.201 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.009 -17.531 -1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.340 -18.004 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.558 -20.014 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.171 -19.918 0.507 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.689 -18.795 0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.215 -21.846 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.730 -22.750 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.654 -19.962 0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.667 -21.687 0.081 1.00 0.00 H new ATOM 125 N LYS A 12 -3.491 -15.224 2.645 1.00 0.00 N ATOM 126 CA LYS A 12 -3.230 -14.591 3.915 1.00 0.00 C ATOM 127 C LYS A 12 -2.908 -13.104 3.763 1.00 0.00 C ATOM 128 O LYS A 12 -2.993 -12.326 4.716 1.00 0.00 O ATOM 129 CB LYS A 12 -2.079 -15.291 4.580 1.00 0.00 C ATOM 130 CG LYS A 12 -2.364 -16.754 4.831 1.00 0.00 C ATOM 131 CD LYS A 12 -1.239 -17.422 5.562 1.00 0.00 C ATOM 132 CE LYS A 12 -1.006 -16.763 6.905 1.00 0.00 C ATOM 133 NZ LYS A 12 -0.041 -17.500 7.737 1.00 0.00 N ATOM 0 H LYS A 12 -2.682 -15.698 2.244 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.131 -14.668 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.191 -15.198 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.856 -14.799 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.282 -16.851 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.531 -17.260 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.468 -18.478 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.329 -17.371 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.644 -15.747 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.954 -16.686 7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.082 -17.007 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.396 -18.462 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.873 -17.552 7.244 1.00 0.00 H new ATOM 147 N GLY A 13 -2.534 -12.722 2.570 1.00 0.00 N ATOM 148 CA GLY A 13 -2.148 -11.359 2.302 1.00 0.00 C ATOM 149 C GLY A 13 -2.994 -10.712 1.269 1.00 0.00 C ATOM 150 O GLY A 13 -2.740 -9.599 0.893 1.00 0.00 O ATOM 0 H GLY A 13 -2.488 -13.341 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.206 -10.782 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.108 -11.338 1.978 1.00 0.00 H new ATOM 154 N LEU A 14 -3.950 -11.421 0.784 1.00 0.00 N ATOM 155 CA LEU A 14 -4.880 -10.931 -0.171 1.00 0.00 C ATOM 156 C LEU A 14 -6.248 -11.362 0.307 1.00 0.00 C ATOM 157 O LEU A 14 -6.526 -12.564 0.386 1.00 0.00 O ATOM 158 CB LEU A 14 -4.530 -11.548 -1.520 1.00 0.00 C ATOM 159 CG LEU A 14 -5.100 -10.947 -2.784 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.474 -11.602 -3.962 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.598 -11.051 -2.877 1.00 0.00 C ATOM 0 H LEU A 14 -4.112 -12.392 1.050 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.859 -9.847 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.444 -11.535 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.835 -12.594 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.869 -9.882 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.882 -11.172 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.396 -11.444 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.685 -12.671 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.937 -10.599 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.892 -12.100 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.052 -10.529 -2.035 1.00 0.00 H new ATOM 173 N GLU A 15 -7.086 -10.423 0.628 1.00 0.00 N ATOM 174 CA GLU A 15 -8.377 -10.746 1.188 1.00 0.00 C ATOM 175 C GLU A 15 -9.464 -10.096 0.297 1.00 0.00 C ATOM 176 O GLU A 15 -9.881 -8.974 0.540 1.00 0.00 O ATOM 177 CB GLU A 15 -8.376 -10.204 2.594 1.00 0.00 C ATOM 178 CG GLU A 15 -9.346 -10.798 3.519 1.00 0.00 C ATOM 179 CD GLU A 15 -9.026 -12.208 3.918 1.00 0.00 C ATOM 180 OE1 GLU A 15 -9.328 -13.139 3.163 1.00 0.00 O ATOM 181 OE2 GLU A 15 -8.511 -12.409 5.034 1.00 0.00 O ATOM 0 H GLU A 15 -6.905 -9.426 0.514 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.583 -11.816 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.378 -10.338 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.560 -9.131 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.401 -10.181 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.333 -10.777 3.057 1.00 0.00 H new ATOM 188 N GLN A 16 -9.905 -10.819 -0.731 1.00 0.00 N ATOM 189 CA GLN A 16 -10.704 -10.238 -1.842 1.00 0.00 C ATOM 190 C GLN A 16 -11.971 -9.483 -1.450 1.00 0.00 C ATOM 191 O GLN A 16 -12.211 -8.392 -1.951 1.00 0.00 O ATOM 192 CB GLN A 16 -11.087 -11.275 -2.875 1.00 0.00 C ATOM 193 CG GLN A 16 -9.933 -12.077 -3.426 1.00 0.00 C ATOM 194 CD GLN A 16 -10.314 -12.946 -4.607 1.00 0.00 C ATOM 195 OE1 GLN A 16 -9.750 -14.022 -4.796 1.00 0.00 O ATOM 196 NE2 GLN A 16 -11.240 -12.486 -5.422 1.00 0.00 N ATOM 0 H GLN A 16 -9.727 -11.819 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.012 -9.501 -2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.808 -11.961 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.591 -10.775 -3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.138 -11.395 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.529 -12.709 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.686 -11.589 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.511 -13.027 -6.243 1.00 0.00 H new ATOM 205 N GLY A 17 -12.754 -10.052 -0.562 1.00 0.00 N ATOM 206 CA GLY A 17 -14.044 -9.460 -0.203 1.00 0.00 C ATOM 207 C GLY A 17 -13.860 -8.175 0.561 1.00 0.00 C ATOM 208 O GLY A 17 -14.660 -7.243 0.456 1.00 0.00 O ATOM 0 H GLY A 17 -12.532 -10.919 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.624 -9.269 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.616 -10.166 0.400 1.00 0.00 H new ATOM 212 N ASN A 18 -12.784 -8.127 1.296 1.00 0.00 N ATOM 213 CA ASN A 18 -12.401 -6.974 2.082 1.00 0.00 C ATOM 214 C ASN A 18 -11.917 -5.855 1.150 1.00 0.00 C ATOM 215 O ASN A 18 -12.249 -4.677 1.330 1.00 0.00 O ATOM 216 CB ASN A 18 -11.277 -7.399 3.035 1.00 0.00 C ATOM 217 CG ASN A 18 -10.780 -6.311 3.945 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.525 -6.371 4.276 1.00 0.00 O flip ATOM 219 ND2 ASN A 18 -11.512 -5.412 4.338 1.00 0.00 N flip ATOM 0 H ASN A 18 -12.129 -8.905 1.371 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.250 -6.601 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.631 -8.230 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.440 -7.771 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.493 -5.395 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.141 -4.680 4.944 1.00 0.00 H new ATOM 226 N LEU A 19 -11.176 -6.263 0.128 1.00 0.00 N ATOM 227 CA LEU A 19 -10.580 -5.371 -0.883 1.00 0.00 C ATOM 228 C LEU A 19 -11.572 -4.449 -1.512 1.00 0.00 C ATOM 229 O LEU A 19 -11.351 -3.240 -1.528 1.00 0.00 O ATOM 230 CB LEU A 19 -9.880 -6.175 -1.971 1.00 0.00 C ATOM 231 CG LEU A 19 -8.449 -6.644 -1.705 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.473 -5.712 -2.358 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.128 -6.700 -0.236 1.00 0.00 C ATOM 0 H LEU A 19 -10.962 -7.247 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.855 -4.758 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.487 -7.056 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.871 -5.572 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.368 -7.649 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.457 -6.054 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.650 -5.695 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.602 -4.708 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.101 -7.039 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.243 -5.708 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.807 -7.394 0.259 1.00 0.00 H new ATOM 245 N LYS A 20 -12.686 -4.998 -1.992 1.00 0.00 N ATOM 246 CA LYS A 20 -13.719 -4.187 -2.661 1.00 0.00 C ATOM 247 C LYS A 20 -14.138 -3.002 -1.788 1.00 0.00 C ATOM 248 O LYS A 20 -14.141 -1.852 -2.244 1.00 0.00 O ATOM 249 CB LYS A 20 -14.972 -5.007 -3.021 1.00 0.00 C ATOM 250 CG LYS A 20 -14.882 -5.927 -4.246 1.00 0.00 C ATOM 251 CD LYS A 20 -13.872 -7.043 -4.108 1.00 0.00 C ATOM 252 CE LYS A 20 -14.061 -8.097 -5.195 1.00 0.00 C ATOM 253 NZ LYS A 20 -13.857 -7.587 -6.570 1.00 0.00 N ATOM 0 H LYS A 20 -12.902 -5.993 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.267 -3.827 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.234 -5.619 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.796 -4.312 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.864 -6.362 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.627 -5.327 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.864 -6.633 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.971 -7.507 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.366 -8.917 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.067 -8.509 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.331 -8.290 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.780 -7.413 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.317 -6.699 -6.534 1.00 0.00 H new ATOM 267 N LYS A 21 -14.295 -3.265 -0.506 1.00 0.00 N ATOM 268 CA LYS A 21 -14.855 -2.299 0.399 1.00 0.00 C ATOM 269 C LYS A 21 -13.854 -1.217 0.745 1.00 0.00 C ATOM 270 O LYS A 21 -14.228 -0.091 1.061 1.00 0.00 O ATOM 271 CB LYS A 21 -15.314 -3.011 1.629 1.00 0.00 C ATOM 272 CG LYS A 21 -16.405 -3.979 1.323 1.00 0.00 C ATOM 273 CD LYS A 21 -16.552 -4.982 2.406 1.00 0.00 C ATOM 274 CE LYS A 21 -17.696 -5.909 2.100 1.00 0.00 C ATOM 275 NZ LYS A 21 -19.012 -5.232 2.195 1.00 0.00 N ATOM 0 H LYS A 21 -14.038 -4.151 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.700 -1.805 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.474 -3.539 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.665 -2.285 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.344 -3.442 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.192 -4.485 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.629 -5.553 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.726 -4.479 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.572 -6.317 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.673 -6.751 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.768 -5.946 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.043 -4.653 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.149 -4.622 1.364 1.00 0.00 H new ATOM 289 N ALA A 22 -12.585 -1.548 0.650 1.00 0.00 N ATOM 290 CA ALA A 22 -11.539 -0.620 0.995 1.00 0.00 C ATOM 291 C ALA A 22 -11.188 0.266 -0.170 1.00 0.00 C ATOM 292 O ALA A 22 -10.926 1.455 -0.002 1.00 0.00 O ATOM 293 CB ALA A 22 -10.325 -1.366 1.456 1.00 0.00 C ATOM 0 H ALA A 22 -12.255 -2.460 0.334 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.903 0.014 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.539 -0.657 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.576 -1.965 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.975 -2.020 0.658 1.00 0.00 H new ATOM 299 N LEU A 23 -11.242 -0.290 -1.363 1.00 0.00 N ATOM 300 CA LEU A 23 -10.858 0.442 -2.545 1.00 0.00 C ATOM 301 C LEU A 23 -11.986 1.378 -2.971 1.00 0.00 C ATOM 302 O LEU A 23 -11.846 2.156 -3.900 1.00 0.00 O ATOM 303 CB LEU A 23 -10.477 -0.501 -3.680 1.00 0.00 C ATOM 304 CG LEU A 23 -9.600 -1.715 -3.297 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.191 -2.498 -4.507 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.388 -1.355 -2.429 1.00 0.00 C ATOM 0 H LEU A 23 -11.549 -1.247 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.978 1.040 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.394 -0.872 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.950 0.075 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.231 -2.348 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.576 -3.344 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.080 -2.863 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.620 -1.857 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.822 -2.258 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.751 -0.653 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.729 -0.897 -1.500 1.00 0.00 H new ATOM 318 N VAL A 24 -13.098 1.272 -2.290 1.00 0.00 N ATOM 319 CA VAL A 24 -14.228 2.183 -2.487 1.00 0.00 C ATOM 320 C VAL A 24 -13.837 3.650 -2.184 1.00 0.00 C ATOM 321 O VAL A 24 -13.928 4.528 -3.049 1.00 0.00 O ATOM 322 CB VAL A 24 -15.454 1.787 -1.603 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.526 2.859 -1.637 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.050 0.484 -2.066 1.00 0.00 C ATOM 0 H VAL A 24 -13.259 0.557 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.508 2.098 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.091 1.679 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.366 2.554 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.116 3.796 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.869 2.999 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.902 0.229 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.380 0.582 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.300 -0.304 -1.998 1.00 0.00 H new ATOM 334 N ASN A 25 -13.373 3.897 -0.979 1.00 0.00 N ATOM 335 CA ASN A 25 -13.089 5.266 -0.536 1.00 0.00 C ATOM 336 C ASN A 25 -11.617 5.540 -0.554 1.00 0.00 C ATOM 337 O ASN A 25 -11.143 6.538 -0.003 1.00 0.00 O ATOM 338 CB ASN A 25 -13.652 5.491 0.864 1.00 0.00 C ATOM 339 CG ASN A 25 -15.169 5.437 0.903 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.849 5.863 -0.033 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.708 4.845 1.931 1.00 0.00 N ATOM 0 H ASN A 25 -13.181 3.178 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.571 5.957 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.249 4.736 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.318 6.460 1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.720 4.723 1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.118 4.503 2.690 1.00 0.00 H new ATOM 348 N VAL A 26 -10.897 4.662 -1.195 1.00 0.00 N ATOM 349 CA VAL A 26 -9.493 4.764 -1.301 1.00 0.00 C ATOM 350 C VAL A 26 -9.123 5.883 -2.261 1.00 0.00 C ATOM 351 O VAL A 26 -9.851 6.174 -3.227 1.00 0.00 O ATOM 352 CB VAL A 26 -8.945 3.425 -1.795 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.918 3.225 -3.263 1.00 0.00 C ATOM 354 CG2 VAL A 26 -7.733 2.960 -1.108 1.00 0.00 C ATOM 0 H VAL A 26 -11.290 3.845 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.059 4.998 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.729 2.740 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.509 2.240 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.931 3.297 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.294 3.991 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.421 2.004 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.936 3.692 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.941 2.839 -0.045 1.00 0.00 H new ATOM 364 N GLU A 27 -8.037 6.499 -1.983 1.00 0.00 N ATOM 365 CA GLU A 27 -7.526 7.542 -2.798 1.00 0.00 C ATOM 366 C GLU A 27 -6.387 6.992 -3.558 1.00 0.00 C ATOM 367 O GLU A 27 -5.312 6.844 -3.026 1.00 0.00 O ATOM 368 CB GLU A 27 -7.010 8.650 -1.965 1.00 0.00 C ATOM 369 CG GLU A 27 -6.742 9.868 -2.736 1.00 0.00 C ATOM 370 CD GLU A 27 -7.995 10.486 -3.283 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.671 11.244 -2.539 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.338 10.224 -4.453 1.00 0.00 O ATOM 0 H GLU A 27 -7.463 6.291 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.318 7.916 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.733 8.875 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.093 8.330 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.231 10.591 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.067 9.633 -3.559 1.00 0.00 H new ATOM 379 N TRP A 28 -6.608 6.694 -4.753 1.00 0.00 N ATOM 380 CA TRP A 28 -5.625 6.028 -5.551 1.00 0.00 C ATOM 381 C TRP A 28 -4.377 6.781 -5.781 1.00 0.00 C ATOM 382 O TRP A 28 -4.390 7.975 -6.136 1.00 0.00 O ATOM 383 CB TRP A 28 -6.197 5.503 -6.806 1.00 0.00 C ATOM 384 CG TRP A 28 -6.898 4.249 -6.572 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.196 4.012 -6.718 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.310 3.046 -6.113 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.478 2.728 -6.384 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.324 2.110 -6.021 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.012 2.673 -5.779 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.097 0.830 -5.617 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.789 1.394 -5.368 1.00 0.00 C ATOM 392 CH2 TRP A 28 -5.827 0.489 -5.296 1.00 0.00 C ATOM 0 H TRP A 28 -7.481 6.896 -5.240 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.313 5.182 -4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.884 6.235 -7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.403 5.350 -7.536 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.923 4.737 -7.054 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.403 2.298 -6.402 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.200 3.382 -5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.902 0.112 -5.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.790 1.086 -5.096 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.621 -0.521 -4.974 1.00 0.00 H new ATOM 403 N ASN A 29 -3.292 6.058 -5.496 1.00 0.00 N ATOM 404 CA ASN A 29 -1.926 6.484 -5.667 1.00 0.00 C ATOM 405 C ASN A 29 -1.570 7.516 -4.626 1.00 0.00 C ATOM 406 O ASN A 29 -0.587 8.240 -4.733 1.00 0.00 O ATOM 407 CB ASN A 29 -1.718 6.975 -7.072 1.00 0.00 C ATOM 408 CG ASN A 29 -0.301 6.969 -7.520 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.426 6.005 -7.111 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.116 7.824 -8.297 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.360 5.112 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.251 5.642 -5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.304 6.355 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.107 7.990 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.498 8.580 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.076 7.778 -8.639 1.00 0.00 H new ATOM 417 N ILE A 30 -2.354 7.529 -3.585 1.00 0.00 N ATOM 418 CA ILE A 30 -2.137 8.402 -2.475 1.00 0.00 C ATOM 419 C ILE A 30 -2.190 7.580 -1.234 1.00 0.00 C ATOM 420 O ILE A 30 -3.245 7.051 -0.891 1.00 0.00 O ATOM 421 CB ILE A 30 -3.196 9.560 -2.365 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.202 10.416 -3.651 1.00 0.00 C ATOM 423 CG2 ILE A 30 -2.973 10.417 -1.098 1.00 0.00 C ATOM 424 CD1 ILE A 30 -3.948 11.739 -3.558 1.00 0.00 C ATOM 0 H ILE A 30 -3.170 6.925 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.169 8.882 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.183 9.108 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.170 10.621 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.642 9.827 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.723 11.207 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.059 9.787 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.979 10.863 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.889 12.258 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.993 11.551 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.497 12.357 -2.782 1.00 0.00 H new ATOM 436 N CYS A 31 -1.036 7.372 -0.627 1.00 0.00 N ATOM 437 CA CYS A 31 -0.958 6.725 0.658 1.00 0.00 C ATOM 438 C CYS A 31 -1.921 7.379 1.625 1.00 0.00 C ATOM 439 O CYS A 31 -1.697 8.491 2.095 1.00 0.00 O ATOM 440 CB CYS A 31 0.493 6.718 1.202 1.00 0.00 C ATOM 441 SG CYS A 31 0.699 6.287 2.940 1.00 0.00 S ATOM 0 H CYS A 31 -0.133 7.648 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.251 5.682 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.078 6.018 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.922 7.707 1.043 1.00 0.00 H new ATOM 446 N GLN A 32 -3.010 6.680 1.879 1.00 0.00 N ATOM 447 CA GLN A 32 -4.061 7.130 2.788 1.00 0.00 C ATOM 448 C GLN A 32 -3.479 7.322 4.128 1.00 0.00 C ATOM 449 O GLN A 32 -3.772 8.252 4.827 1.00 0.00 O ATOM 450 CB GLN A 32 -5.146 6.096 2.898 1.00 0.00 C ATOM 451 CG GLN A 32 -5.731 5.732 1.603 1.00 0.00 C ATOM 452 CD GLN A 32 -6.941 4.904 1.803 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.862 3.692 1.870 1.00 0.00 O ATOM 454 NE2 GLN A 32 -8.061 5.538 1.906 1.00 0.00 N ATOM 0 H GLN A 32 -3.198 5.771 1.457 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.482 8.058 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.740 5.201 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.933 6.472 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.986 6.633 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.001 5.184 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.078 6.556 1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.928 5.021 2.050 1.00 0.00 H new ATOM 463 N ASP A 33 -2.581 6.469 4.406 1.00 0.00 N ATOM 464 CA ASP A 33 -1.887 6.433 5.669 1.00 0.00 C ATOM 465 C ASP A 33 -1.019 7.714 5.866 1.00 0.00 C ATOM 466 O ASP A 33 -0.492 7.941 6.921 1.00 0.00 O ATOM 467 CB ASP A 33 -1.077 5.140 5.786 1.00 0.00 C ATOM 468 CG ASP A 33 -0.776 4.754 7.215 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.712 4.340 7.939 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.383 4.792 7.621 1.00 0.00 O ATOM 0 H ASP A 33 -2.282 5.743 3.755 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.615 6.432 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.626 4.330 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.139 5.256 5.242 1.00 0.00 H new ATOM 475 N CYS A 34 -0.803 8.498 4.774 1.00 0.00 N ATOM 476 CA CYS A 34 -0.221 9.790 4.850 1.00 0.00 C ATOM 477 C CYS A 34 -1.278 10.847 5.162 1.00 0.00 C ATOM 478 O CYS A 34 -1.078 11.715 5.992 1.00 0.00 O ATOM 479 CB CYS A 34 0.452 10.148 3.534 1.00 0.00 C ATOM 480 SG CYS A 34 2.185 9.679 3.302 1.00 0.00 S ATOM 0 H CYS A 34 -1.044 8.212 3.825 1.00 0.00 H new ATOM 0 HA CYS A 34 0.518 9.771 5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.126 9.693 2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.380 11.228 3.406 1.00 0.00 H new ATOM 485 N LYS A 35 -2.404 10.726 4.522 1.00 0.00 N ATOM 486 CA LYS A 35 -3.418 11.762 4.569 1.00 0.00 C ATOM 487 C LYS A 35 -4.328 11.648 5.771 1.00 0.00 C ATOM 488 O LYS A 35 -4.670 12.644 6.382 1.00 0.00 O ATOM 489 CB LYS A 35 -4.251 11.785 3.301 1.00 0.00 C ATOM 490 CG LYS A 35 -4.814 10.444 2.927 1.00 0.00 C ATOM 491 CD LYS A 35 -6.166 10.536 2.273 1.00 0.00 C ATOM 492 CE LYS A 35 -6.169 11.345 0.989 1.00 0.00 C ATOM 493 NZ LYS A 35 -7.538 11.467 0.430 1.00 0.00 N ATOM 0 H LYS A 35 -2.653 9.916 3.954 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.871 12.700 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.071 12.491 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.637 12.154 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.123 9.942 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.890 9.826 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.525 9.529 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.870 10.983 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.763 12.338 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.516 10.870 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.491 11.458 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.119 10.669 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.965 12.360 0.750 1.00 0.00 H new ATOM 507 N THR A 36 -4.719 10.458 6.119 1.00 0.00 N ATOM 508 CA THR A 36 -5.618 10.285 7.218 1.00 0.00 C ATOM 509 C THR A 36 -4.889 9.990 8.505 1.00 0.00 C ATOM 510 O THR A 36 -5.505 9.707 9.534 1.00 0.00 O ATOM 511 CB THR A 36 -6.689 9.217 6.926 1.00 0.00 C ATOM 512 OG1 THR A 36 -6.110 8.087 6.265 1.00 0.00 O ATOM 513 CG2 THR A 36 -7.812 9.790 6.096 1.00 0.00 C ATOM 0 H THR A 36 -4.430 9.595 5.658 1.00 0.00 H new ATOM 0 HA THR A 36 -6.134 11.236 7.348 1.00 0.00 H new ATOM 0 HB THR A 36 -7.102 8.888 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.805 7.419 6.089 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.554 9.015 5.904 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.279 10.614 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.415 10.155 5.149 1.00 0.00 H new ATOM 521 N ASP A 37 -3.579 10.129 8.465 1.00 0.00 N ATOM 522 CA ASP A 37 -2.760 9.807 9.635 1.00 0.00 C ATOM 523 C ASP A 37 -2.952 10.839 10.722 1.00 0.00 C ATOM 524 O ASP A 37 -3.166 10.485 11.890 1.00 0.00 O ATOM 525 CB ASP A 37 -1.277 9.685 9.289 1.00 0.00 C ATOM 526 CG ASP A 37 -0.482 9.019 10.403 1.00 0.00 C ATOM 527 OD1 ASP A 37 -0.760 7.830 10.708 1.00 0.00 O ATOM 528 OD2 ASP A 37 0.462 9.626 10.959 1.00 0.00 O ATOM 0 H ASP A 37 -3.057 10.457 7.652 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.096 8.835 9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.166 9.109 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.868 10.676 9.095 1.00 0.00 H new ATOM 533 N ASN A 38 -2.958 12.122 10.315 1.00 0.00 N ATOM 534 CA ASN A 38 -3.078 13.260 11.230 1.00 0.00 C ATOM 535 C ASN A 38 -1.958 13.194 12.274 1.00 0.00 C ATOM 536 O ASN A 38 -0.800 12.995 11.888 1.00 0.00 O ATOM 537 CB ASN A 38 -4.482 13.317 11.866 1.00 0.00 C ATOM 538 CG ASN A 38 -5.596 13.594 10.857 1.00 0.00 C ATOM 539 OD1 ASN A 38 -5.934 14.748 10.594 1.00 0.00 O ATOM 540 ND2 ASN A 38 -6.182 12.560 10.296 1.00 0.00 N ATOM 0 H ASN A 38 -2.879 12.394 9.335 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.962 14.190 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.684 12.371 12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.494 14.093 12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.936 12.704 9.625 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.882 11.614 10.532 1.00 0.00 H new ATOM 547 N LYS A 39 -2.285 13.394 13.585 1.00 0.00 N ATOM 548 CA LYS A 39 -1.343 13.265 14.735 1.00 0.00 C ATOM 549 C LYS A 39 -0.336 14.394 14.810 1.00 0.00 C ATOM 550 O LYS A 39 -0.153 15.024 15.849 1.00 0.00 O ATOM 551 CB LYS A 39 -0.575 11.965 14.658 1.00 0.00 C ATOM 552 CG LYS A 39 -1.405 10.718 14.755 1.00 0.00 C ATOM 553 CD LYS A 39 -0.761 9.599 13.955 1.00 0.00 C ATOM 554 CE LYS A 39 0.702 9.379 14.312 1.00 0.00 C ATOM 555 NZ LYS A 39 1.374 8.550 13.298 1.00 0.00 N ATOM 0 H LYS A 39 -3.228 13.654 13.875 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.969 13.297 15.627 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.026 11.943 13.717 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.164 11.952 15.459 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.505 10.419 15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.410 10.911 14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.313 8.675 14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.840 9.828 12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.208 10.341 14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.774 8.897 15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.403 8.687 13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.147 7.548 13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.047 8.828 12.350 1.00 0.00 H new ATOM 569 N VAL A 40 0.337 14.582 13.748 1.00 0.00 N ATOM 570 CA VAL A 40 1.389 15.541 13.627 1.00 0.00 C ATOM 571 C VAL A 40 0.918 16.693 12.711 1.00 0.00 C ATOM 572 O VAL A 40 -0.100 16.550 12.013 1.00 0.00 O ATOM 573 CB VAL A 40 2.654 14.810 13.082 1.00 0.00 C ATOM 574 CG1 VAL A 40 2.406 14.193 11.714 1.00 0.00 C ATOM 575 CG2 VAL A 40 3.889 15.686 13.092 1.00 0.00 C ATOM 0 H VAL A 40 0.173 14.054 12.891 1.00 0.00 H new ATOM 0 HA VAL A 40 1.647 15.984 14.589 1.00 0.00 H new ATOM 0 HB VAL A 40 2.856 13.993 13.774 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.312 13.694 11.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.596 13.467 11.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.132 14.975 11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.737 15.123 12.702 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.718 16.563 12.468 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.102 16.003 14.113 1.00 0.00 H new ATOM 585 N LYS A 41 1.632 17.820 12.733 1.00 0.00 N ATOM 586 CA LYS A 41 1.260 19.016 11.955 1.00 0.00 C ATOM 587 C LYS A 41 1.254 18.712 10.463 1.00 0.00 C ATOM 588 O LYS A 41 0.297 19.030 9.758 1.00 0.00 O ATOM 589 CB LYS A 41 2.201 20.183 12.272 1.00 0.00 C ATOM 590 CG LYS A 41 2.228 20.545 13.747 1.00 0.00 C ATOM 591 CD LYS A 41 3.193 21.678 14.034 1.00 0.00 C ATOM 592 CE LYS A 41 3.285 21.966 15.532 1.00 0.00 C ATOM 593 NZ LYS A 41 3.750 20.789 16.312 1.00 0.00 N ATOM 0 H LYS A 41 2.481 17.935 13.286 1.00 0.00 H new ATOM 0 HA LYS A 41 0.250 19.308 12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.210 19.926 11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.894 21.056 11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.227 20.831 14.069 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.513 19.669 14.330 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.181 21.423 13.650 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.869 22.576 13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.968 22.799 15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.307 22.278 15.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.038 21.095 17.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.978 20.097 16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.560 20.351 15.829 1.00 0.00 H new ATOM 607 N ASP A 42 2.311 18.101 9.995 1.00 0.00 N ATOM 608 CA ASP A 42 2.387 17.623 8.631 1.00 0.00 C ATOM 609 C ASP A 42 3.043 16.301 8.654 1.00 0.00 C ATOM 610 O ASP A 42 3.841 16.018 9.532 1.00 0.00 O ATOM 611 CB ASP A 42 3.160 18.526 7.683 1.00 0.00 C ATOM 612 CG ASP A 42 2.524 19.879 7.433 1.00 0.00 C ATOM 613 OD1 ASP A 42 1.681 19.978 6.516 1.00 0.00 O ATOM 614 OD2 ASP A 42 2.856 20.858 8.119 1.00 0.00 O ATOM 0 H ASP A 42 3.149 17.918 10.548 1.00 0.00 H new ATOM 0 HA ASP A 42 1.366 17.591 8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.161 18.680 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.276 18.013 6.728 1.00 0.00 H new ATOM 619 N LYS A 43 2.743 15.513 7.688 1.00 0.00 N ATOM 620 CA LYS A 43 3.197 14.155 7.646 1.00 0.00 C ATOM 621 C LYS A 43 4.423 14.012 6.774 1.00 0.00 C ATOM 622 O LYS A 43 5.383 13.344 7.137 1.00 0.00 O ATOM 623 CB LYS A 43 2.083 13.230 7.144 1.00 0.00 C ATOM 624 CG LYS A 43 0.855 13.091 8.062 1.00 0.00 C ATOM 625 CD LYS A 43 0.009 14.361 8.219 1.00 0.00 C ATOM 626 CE LYS A 43 -0.638 14.793 6.902 1.00 0.00 C ATOM 627 NZ LYS A 43 -1.509 15.978 7.073 1.00 0.00 N ATOM 0 H LYS A 43 2.169 15.787 6.891 1.00 0.00 H new ATOM 0 HA LYS A 43 3.467 13.865 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.746 13.593 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.506 12.238 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.219 12.296 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.193 12.775 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.768 14.188 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.637 15.169 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.140 15.018 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.224 13.968 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.927 16.237 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.267 15.757 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.945 16.774 7.433 1.00 0.00 H new ATOM 641 N ALA A 44 4.388 14.626 5.624 1.00 0.00 N ATOM 642 CA ALA A 44 5.492 14.547 4.703 1.00 0.00 C ATOM 643 C ALA A 44 6.406 15.744 4.843 1.00 0.00 C ATOM 644 O ALA A 44 7.620 15.595 4.837 1.00 0.00 O ATOM 645 CB ALA A 44 4.987 14.426 3.273 1.00 0.00 C ATOM 0 H ALA A 44 3.603 15.190 5.299 1.00 0.00 H new ATOM 0 HA ALA A 44 6.068 13.654 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.835 14.368 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.381 13.525 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.382 15.298 3.026 1.00 0.00 H new ATOM 651 N GLU A 45 5.804 16.928 5.013 1.00 0.00 N ATOM 652 CA GLU A 45 6.528 18.204 5.053 1.00 0.00 C ATOM 653 C GLU A 45 7.308 18.388 3.766 1.00 0.00 C ATOM 654 O GLU A 45 8.502 18.079 3.694 1.00 0.00 O ATOM 655 CB GLU A 45 7.440 18.350 6.282 1.00 0.00 C ATOM 656 CG GLU A 45 6.696 18.328 7.595 1.00 0.00 C ATOM 657 CD GLU A 45 7.588 18.567 8.776 1.00 0.00 C ATOM 658 OE1 GLU A 45 8.122 17.601 9.345 1.00 0.00 O ATOM 659 OE2 GLU A 45 7.744 19.735 9.184 1.00 0.00 O ATOM 0 H GLU A 45 4.795 17.028 5.127 1.00 0.00 H new ATOM 0 HA GLU A 45 5.784 18.995 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.174 17.544 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.994 19.286 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.915 19.088 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.200 17.364 7.710 1.00 0.00 H new ATOM 666 N GLU A 46 6.609 18.844 2.753 1.00 0.00 N ATOM 667 CA GLU A 46 7.105 18.972 1.426 1.00 0.00 C ATOM 668 C GLU A 46 8.395 19.794 1.361 1.00 0.00 C ATOM 669 O GLU A 46 8.423 20.988 1.706 1.00 0.00 O ATOM 670 CB GLU A 46 6.029 19.606 0.577 1.00 0.00 C ATOM 671 CG GLU A 46 6.342 19.572 -0.873 1.00 0.00 C ATOM 672 CD GLU A 46 5.301 20.245 -1.704 1.00 0.00 C ATOM 673 OE1 GLU A 46 4.274 19.625 -2.016 1.00 0.00 O ATOM 674 OE2 GLU A 46 5.490 21.413 -2.077 1.00 0.00 O ATOM 0 H GLU A 46 5.639 19.145 2.848 1.00 0.00 H new ATOM 0 HA GLU A 46 7.355 17.980 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.085 19.090 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.890 20.641 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.305 20.054 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.443 18.535 -1.194 1.00 0.00 H new ATOM 681 N GLU A 47 9.456 19.129 0.977 1.00 0.00 N ATOM 682 CA GLU A 47 10.723 19.729 0.798 1.00 0.00 C ATOM 683 C GLU A 47 10.861 20.183 -0.648 1.00 0.00 C ATOM 684 O GLU A 47 11.117 21.348 -0.928 1.00 0.00 O ATOM 685 CB GLU A 47 11.766 18.693 1.128 1.00 0.00 C ATOM 686 CG GLU A 47 13.177 19.145 0.950 1.00 0.00 C ATOM 687 CD GLU A 47 13.556 20.321 1.807 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.003 20.116 2.956 1.00 0.00 O ATOM 689 OE2 GLU A 47 13.445 21.467 1.346 1.00 0.00 O ATOM 0 H GLU A 47 9.445 18.128 0.779 1.00 0.00 H new ATOM 0 HA GLU A 47 10.844 20.599 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.629 18.376 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.598 17.817 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.845 18.314 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.335 19.405 -0.097 1.00 0.00 H new ATOM 696 N THR A 48 10.659 19.262 -1.558 1.00 0.00 N ATOM 697 CA THR A 48 10.753 19.475 -2.897 1.00 0.00 C ATOM 698 C THR A 48 9.698 18.540 -3.478 1.00 0.00 C ATOM 699 O THR A 48 8.725 18.202 -2.800 1.00 0.00 O ATOM 700 CB THR A 48 12.217 19.105 -3.368 1.00 0.00 C ATOM 701 OG1 THR A 48 12.380 19.283 -4.787 1.00 0.00 O ATOM 702 CG2 THR A 48 12.607 17.669 -2.973 1.00 0.00 C ATOM 0 H THR A 48 10.412 18.301 -1.321 1.00 0.00 H new ATOM 0 HA THR A 48 10.584 20.505 -3.211 1.00 0.00 H new ATOM 0 HB THR A 48 12.886 19.793 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.732 19.943 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.620 17.459 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.563 17.565 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.914 16.964 -3.433 1.00 0.00 H new ATOM 710 N GLU A 49 9.923 18.108 -4.613 1.00 0.00 N ATOM 711 CA GLU A 49 9.032 17.235 -5.322 1.00 0.00 C ATOM 712 C GLU A 49 9.534 15.835 -5.281 1.00 0.00 C ATOM 713 O GLU A 49 10.661 15.548 -5.697 1.00 0.00 O ATOM 714 CB GLU A 49 8.807 17.690 -6.755 1.00 0.00 C ATOM 715 CG GLU A 49 7.942 18.916 -6.847 1.00 0.00 C ATOM 716 CD GLU A 49 6.559 18.668 -6.300 1.00 0.00 C ATOM 717 OE1 GLU A 49 5.671 18.204 -7.056 1.00 0.00 O ATOM 718 OE2 GLU A 49 6.330 18.916 -5.100 1.00 0.00 O ATOM 0 H GLU A 49 10.766 18.341 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 49 8.065 17.275 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.770 17.895 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.344 16.881 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.409 19.733 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.870 19.233 -7.887 1.00 0.00 H new ATOM 725 N GLU A 50 8.722 14.976 -4.764 1.00 0.00 N ATOM 726 CA GLU A 50 9.056 13.588 -4.649 1.00 0.00 C ATOM 727 C GLU A 50 7.905 12.736 -5.092 1.00 0.00 C ATOM 728 O GLU A 50 6.743 13.103 -4.920 1.00 0.00 O ATOM 729 CB GLU A 50 9.455 13.198 -3.223 1.00 0.00 C ATOM 730 CG GLU A 50 10.725 13.851 -2.714 1.00 0.00 C ATOM 731 CD GLU A 50 11.203 13.227 -1.436 1.00 0.00 C ATOM 732 OE1 GLU A 50 11.917 12.202 -1.512 1.00 0.00 O ATOM 733 OE2 GLU A 50 10.898 13.760 -0.334 1.00 0.00 O ATOM 0 H GLU A 50 7.798 15.215 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 50 9.917 13.418 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.637 13.454 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.577 12.116 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.504 13.768 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.547 14.914 -2.554 1.00 0.00 H new ATOM 740 N LYS A 51 8.225 11.623 -5.676 1.00 0.00 N ATOM 741 CA LYS A 51 7.260 10.664 -6.096 1.00 0.00 C ATOM 742 C LYS A 51 7.526 9.410 -5.303 1.00 0.00 C ATOM 743 O LYS A 51 8.322 8.560 -5.718 1.00 0.00 O ATOM 744 CB LYS A 51 7.363 10.338 -7.609 1.00 0.00 C ATOM 745 CG LYS A 51 7.457 11.549 -8.556 1.00 0.00 C ATOM 746 CD LYS A 51 8.854 12.196 -8.585 1.00 0.00 C ATOM 747 CE LYS A 51 9.925 11.226 -9.068 1.00 0.00 C ATOM 748 NZ LYS A 51 11.276 11.818 -9.023 1.00 0.00 N ATOM 0 H LYS A 51 9.188 11.353 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 51 6.260 11.064 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.240 9.710 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.493 9.747 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.190 11.234 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.725 12.297 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.835 13.069 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.110 12.550 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.903 10.327 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.699 10.918 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.971 11.122 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.306 12.661 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.504 12.089 -8.045 1.00 0.00 H new ATOM 762 N PRO A 52 6.965 9.305 -4.113 1.00 0.00 N ATOM 763 CA PRO A 52 7.176 8.158 -3.286 1.00 0.00 C ATOM 764 C PRO A 52 6.381 6.984 -3.815 1.00 0.00 C ATOM 765 O PRO A 52 5.357 7.160 -4.493 1.00 0.00 O ATOM 766 CB PRO A 52 6.669 8.626 -1.928 1.00 0.00 C ATOM 767 CG PRO A 52 5.578 9.570 -2.256 1.00 0.00 C ATOM 768 CD PRO A 52 6.054 10.287 -3.475 1.00 0.00 C ATOM 0 HA PRO A 52 8.210 7.815 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.307 7.791 -1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.458 9.112 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.642 9.044 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.393 10.263 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.227 10.555 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.573 11.212 -3.221 1.00 0.00 H new ATOM 776 N SER A 53 6.855 5.820 -3.540 1.00 0.00 N ATOM 777 CA SER A 53 6.247 4.639 -4.000 1.00 0.00 C ATOM 778 C SER A 53 4.996 4.365 -3.211 1.00 0.00 C ATOM 779 O SER A 53 4.992 4.505 -1.984 1.00 0.00 O ATOM 780 CB SER A 53 7.258 3.513 -3.904 1.00 0.00 C ATOM 781 OG SER A 53 8.005 3.583 -2.669 1.00 0.00 O ATOM 0 H SER A 53 7.692 5.668 -2.978 1.00 0.00 H new ATOM 0 HA SER A 53 5.942 4.735 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.744 2.554 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.944 3.564 -4.750 1.00 0.00 H new ATOM 0 HG SER A 53 7.421 3.905 -1.951 1.00 0.00 H new ATOM 787 N VAL A 54 3.949 4.003 -3.888 1.00 0.00 N ATOM 788 CA VAL A 54 2.703 3.766 -3.219 1.00 0.00 C ATOM 789 C VAL A 54 2.368 2.309 -3.324 1.00 0.00 C ATOM 790 O VAL A 54 2.136 1.771 -4.409 1.00 0.00 O ATOM 791 CB VAL A 54 1.531 4.659 -3.716 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.325 4.465 -2.822 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.936 6.126 -3.722 1.00 0.00 C ATOM 0 H VAL A 54 3.930 3.865 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 54 2.835 4.050 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 54 1.280 4.365 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.494 5.093 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.018 3.420 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.581 4.743 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.101 6.733 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.208 6.433 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.790 6.265 -4.385 1.00 0.00 H new ATOM 803 N TRP A 55 2.418 1.683 -2.213 1.00 0.00 N ATOM 804 CA TRP A 55 2.181 0.298 -2.089 1.00 0.00 C ATOM 805 C TRP A 55 0.826 0.080 -1.455 1.00 0.00 C ATOM 806 O TRP A 55 0.500 0.675 -0.422 1.00 0.00 O ATOM 807 CB TRP A 55 3.288 -0.353 -1.257 1.00 0.00 C ATOM 808 CG TRP A 55 4.666 -0.241 -1.863 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.549 0.786 -1.712 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.315 -1.196 -2.710 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.710 0.518 -2.396 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.587 -0.689 -3.018 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.946 -2.430 -3.231 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.485 -1.376 -3.821 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.835 -3.111 -4.027 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.090 -2.583 -4.312 1.00 0.00 C ATOM 0 H TRP A 55 2.634 2.140 -1.327 1.00 0.00 H new ATOM 0 HA TRP A 55 2.186 -0.166 -3.075 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.300 0.105 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.050 -1.407 -1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.363 1.681 -1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.530 1.123 -2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.974 -2.848 -3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.460 -0.970 -4.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.555 -4.070 -4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.768 -3.144 -4.938 1.00 0.00 H new ATOM 827 N LEU A 56 0.031 -0.708 -2.093 1.00 0.00 N ATOM 828 CA LEU A 56 -1.271 -1.015 -1.579 1.00 0.00 C ATOM 829 C LEU A 56 -1.328 -2.435 -1.024 1.00 0.00 C ATOM 830 O LEU A 56 -1.046 -3.392 -1.740 1.00 0.00 O ATOM 831 CB LEU A 56 -2.356 -0.821 -2.629 1.00 0.00 C ATOM 832 CG LEU A 56 -3.761 -1.160 -2.140 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.609 0.080 -1.946 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.417 -2.170 -3.039 1.00 0.00 C ATOM 0 H LEU A 56 0.257 -1.158 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.459 -0.315 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.340 0.216 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.124 -1.441 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.667 -1.619 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.601 -0.208 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.140 0.730 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.698 0.612 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.417 -2.393 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.487 -1.767 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.823 -3.084 -3.054 1.00 0.00 H new ATOM 846 N CYS A 57 -1.701 -2.538 0.245 1.00 0.00 N ATOM 847 CA CYS A 57 -1.876 -3.787 0.969 1.00 0.00 C ATOM 848 C CYS A 57 -3.001 -4.568 0.315 1.00 0.00 C ATOM 849 O CYS A 57 -4.160 -4.179 0.419 1.00 0.00 O ATOM 850 CB CYS A 57 -2.270 -3.451 2.430 1.00 0.00 C ATOM 851 SG CYS A 57 -2.323 -4.838 3.626 1.00 0.00 S ATOM 0 H CYS A 57 -1.898 -1.719 0.820 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.958 -4.375 0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.567 -2.708 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.253 -2.981 2.415 1.00 0.00 H new ATOM 856 N LEU A 58 -2.672 -5.690 -0.309 1.00 0.00 N ATOM 857 CA LEU A 58 -3.641 -6.517 -1.051 1.00 0.00 C ATOM 858 C LEU A 58 -4.489 -7.280 -0.100 1.00 0.00 C ATOM 859 O LEU A 58 -5.407 -8.003 -0.461 1.00 0.00 O ATOM 860 CB LEU A 58 -2.868 -7.453 -1.952 1.00 0.00 C ATOM 861 CG LEU A 58 -1.854 -6.731 -2.808 1.00 0.00 C ATOM 862 CD1 LEU A 58 -1.105 -7.649 -3.696 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.521 -5.679 -3.598 1.00 0.00 C ATOM 0 H LEU A 58 -1.723 -6.063 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.298 -5.889 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.358 -8.199 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.565 -7.990 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.125 -6.277 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.390 -7.079 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.572 -8.384 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.801 -8.161 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.784 -5.163 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.277 -6.131 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.996 -4.965 -2.925 1.00 0.00 H new ATOM 875 N LYS A 59 -4.135 -7.130 1.105 1.00 0.00 N ATOM 876 CA LYS A 59 -4.828 -7.707 2.181 1.00 0.00 C ATOM 877 C LYS A 59 -5.988 -6.836 2.676 1.00 0.00 C ATOM 878 O LYS A 59 -7.082 -7.336 2.902 1.00 0.00 O ATOM 879 CB LYS A 59 -3.859 -8.016 3.316 1.00 0.00 C ATOM 880 CG LYS A 59 -4.526 -8.622 4.498 1.00 0.00 C ATOM 881 CD LYS A 59 -5.278 -9.870 4.087 1.00 0.00 C ATOM 882 CE LYS A 59 -5.771 -10.687 5.247 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.791 -9.996 6.053 1.00 0.00 N ATOM 0 H LYS A 59 -3.323 -6.581 1.386 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.273 -8.635 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.087 -8.695 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.358 -7.097 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.784 -8.868 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.214 -7.904 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.128 -9.584 3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.627 -10.489 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.186 -11.623 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.926 -10.945 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.139 -10.636 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.373 -9.151 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.583 -9.712 5.442 1.00 0.00 H new ATOM 897 N CYS A 60 -5.760 -5.562 2.874 1.00 0.00 N ATOM 898 CA CYS A 60 -6.842 -4.739 3.418 1.00 0.00 C ATOM 899 C CYS A 60 -7.166 -3.506 2.611 1.00 0.00 C ATOM 900 O CYS A 60 -8.109 -2.814 2.933 1.00 0.00 O ATOM 901 CB CYS A 60 -6.554 -4.339 4.843 1.00 0.00 C ATOM 902 SG CYS A 60 -5.245 -3.118 4.999 1.00 0.00 S ATOM 0 H CYS A 60 -4.883 -5.078 2.682 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.723 -5.380 3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.465 -3.942 5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.280 -5.227 5.412 1.00 0.00 H new ATOM 907 N GLY A 61 -6.397 -3.218 1.618 1.00 0.00 N ATOM 908 CA GLY A 61 -6.643 -2.028 0.849 1.00 0.00 C ATOM 909 C GLY A 61 -5.957 -0.812 1.444 1.00 0.00 C ATOM 910 O GLY A 61 -6.307 0.317 1.126 1.00 0.00 O ATOM 0 H GLY A 61 -5.599 -3.777 1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.293 -2.178 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.717 -1.848 0.794 1.00 0.00 H new ATOM 914 N HIS A 62 -5.022 -1.050 2.356 1.00 0.00 N ATOM 915 CA HIS A 62 -4.172 0.011 2.901 1.00 0.00 C ATOM 916 C HIS A 62 -3.317 0.551 1.808 1.00 0.00 C ATOM 917 O HIS A 62 -2.719 -0.196 1.075 1.00 0.00 O ATOM 918 CB HIS A 62 -3.277 -0.523 4.068 1.00 0.00 C ATOM 919 CG HIS A 62 -1.932 0.193 4.278 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.708 1.205 5.174 1.00 0.00 N ATOM 921 CD2 HIS A 62 -0.729 -0.022 3.665 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.422 1.564 5.076 1.00 0.00 C ATOM 923 NE2 HIS A 62 0.209 0.851 4.179 1.00 0.00 N ATOM 0 H HIS A 62 -4.829 -1.976 2.739 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.807 0.800 3.305 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.848 -0.457 4.994 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.078 -1.580 3.890 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.399 1.613 5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.542 -0.759 2.899 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.037 2.345 5.664 1.00 0.00 H new ATOM 931 N GLN A 63 -3.281 1.813 1.694 1.00 0.00 N ATOM 932 CA GLN A 63 -2.441 2.401 0.749 1.00 0.00 C ATOM 933 C GLN A 63 -1.401 3.213 1.480 1.00 0.00 C ATOM 934 O GLN A 63 -1.724 4.156 2.215 1.00 0.00 O ATOM 935 CB GLN A 63 -3.265 3.202 -0.160 1.00 0.00 C ATOM 936 CG GLN A 63 -2.587 3.653 -1.396 1.00 0.00 C ATOM 937 CD GLN A 63 -3.567 4.141 -2.405 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.328 4.101 -3.588 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.691 4.541 -1.964 1.00 0.00 N ATOM 0 H GLN A 63 -3.832 2.465 2.252 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.912 1.663 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.142 2.618 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.624 4.079 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.882 4.449 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.008 2.830 -1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.866 4.564 -0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.418 4.838 -2.615 1.00 0.00 H new ATOM 948 N GLY A 64 -0.207 2.795 1.324 1.00 0.00 N ATOM 949 CA GLY A 64 0.896 3.319 1.998 1.00 0.00 C ATOM 950 C GLY A 64 1.998 3.653 1.082 1.00 0.00 C ATOM 951 O GLY A 64 2.015 3.264 -0.062 1.00 0.00 O ATOM 0 H GLY A 64 0.033 2.036 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.595 4.213 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.245 2.597 2.736 1.00 0.00 H new ATOM 955 N CYS A 65 2.888 4.412 1.573 1.00 0.00 N ATOM 956 CA CYS A 65 4.011 4.810 0.841 1.00 0.00 C ATOM 957 C CYS A 65 5.168 3.936 1.306 1.00 0.00 C ATOM 958 O CYS A 65 5.254 3.618 2.505 1.00 0.00 O ATOM 959 CB CYS A 65 4.239 6.301 1.060 1.00 0.00 C ATOM 960 SG CYS A 65 4.442 6.759 2.788 1.00 0.00 S ATOM 0 H CYS A 65 2.854 4.784 2.522 1.00 0.00 H new ATOM 0 HA CYS A 65 3.893 4.678 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.126 6.609 0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.396 6.853 0.644 1.00 0.00 H new ATOM 965 N GLY A 66 5.994 3.509 0.395 1.00 0.00 N ATOM 966 CA GLY A 66 7.020 2.564 0.737 1.00 0.00 C ATOM 967 C GLY A 66 8.396 3.145 0.894 1.00 0.00 C ATOM 968 O GLY A 66 8.575 4.226 1.433 1.00 0.00 O ATOM 0 H GLY A 66 5.979 3.797 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.742 2.071 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.054 1.793 -0.033 1.00 0.00 H new ATOM 972 N ARG A 67 9.356 2.424 0.371 1.00 0.00 N ATOM 973 CA ARG A 67 10.792 2.682 0.513 1.00 0.00 C ATOM 974 C ARG A 67 11.240 4.030 -0.079 1.00 0.00 C ATOM 975 O ARG A 67 12.294 4.551 0.271 1.00 0.00 O ATOM 976 CB ARG A 67 11.521 1.486 -0.103 1.00 0.00 C ATOM 977 CG ARG A 67 13.030 1.551 -0.218 1.00 0.00 C ATOM 978 CD ARG A 67 13.530 0.188 -0.651 1.00 0.00 C ATOM 979 NE ARG A 67 14.929 0.176 -1.067 1.00 0.00 N ATOM 980 CZ ARG A 67 15.449 -0.708 -1.941 1.00 0.00 C ATOM 981 NH1 ARG A 67 14.698 -1.697 -2.436 1.00 0.00 N ATOM 982 NH2 ARG A 67 16.712 -0.608 -2.316 1.00 0.00 N ATOM 0 H ARG A 67 9.162 1.598 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 67 11.045 2.780 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.269 0.603 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.117 1.329 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.324 2.311 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.472 1.832 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.400 -0.514 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.913 -0.170 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 67 15.552 0.880 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.722 -1.787 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.101 -2.361 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.297 0.140 -1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.102 -1.279 -2.978 1.00 0.00 H new ATOM 996 N ASN A 68 10.418 4.613 -0.919 1.00 0.00 N ATOM 997 CA ASN A 68 10.754 5.901 -1.537 1.00 0.00 C ATOM 998 C ASN A 68 10.191 7.061 -0.756 1.00 0.00 C ATOM 999 O ASN A 68 10.187 8.200 -1.233 1.00 0.00 O ATOM 1000 CB ASN A 68 10.285 5.981 -2.984 1.00 0.00 C ATOM 1001 CG ASN A 68 11.098 5.132 -3.923 1.00 0.00 C ATOM 1002 OD1 ASN A 68 11.653 4.102 -3.541 1.00 0.00 O ATOM 1003 ND2 ASN A 68 11.169 5.529 -5.154 1.00 0.00 N ATOM 0 H ASN A 68 9.515 4.230 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 68 11.842 5.967 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.241 5.672 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.327 7.019 -3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.696 4.983 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.698 6.387 -5.441 1.00 0.00 H new ATOM 1010 N SER A 69 9.705 6.781 0.423 1.00 0.00 N ATOM 1011 CA SER A 69 9.224 7.804 1.271 1.00 0.00 C ATOM 1012 C SER A 69 9.994 7.759 2.577 1.00 0.00 C ATOM 1013 O SER A 69 10.490 6.693 2.979 1.00 0.00 O ATOM 1014 CB SER A 69 7.742 7.626 1.543 1.00 0.00 C ATOM 1015 OG SER A 69 7.483 6.446 2.282 1.00 0.00 O ATOM 0 H SER A 69 9.637 5.839 0.809 1.00 0.00 H new ATOM 0 HA SER A 69 9.367 8.768 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.367 8.489 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.200 7.590 0.598 1.00 0.00 H new ATOM 0 HG SER A 69 7.945 5.690 1.863 1.00 0.00 H new ATOM 1021 N GLN A 70 10.083 8.891 3.222 1.00 0.00 N ATOM 1022 CA GLN A 70 10.763 9.027 4.500 1.00 0.00 C ATOM 1023 C GLN A 70 10.045 8.255 5.614 1.00 0.00 C ATOM 1024 O GLN A 70 10.675 7.785 6.564 1.00 0.00 O ATOM 1025 CB GLN A 70 10.847 10.511 4.845 1.00 0.00 C ATOM 1026 CG GLN A 70 9.491 11.184 5.008 1.00 0.00 C ATOM 1027 CD GLN A 70 9.577 12.684 5.014 1.00 0.00 C ATOM 1028 OE1 GLN A 70 9.487 13.318 3.962 1.00 0.00 O ATOM 1029 NE2 GLN A 70 9.756 13.260 6.164 1.00 0.00 N ATOM 0 H GLN A 70 9.682 9.763 2.877 1.00 0.00 H new ATOM 0 HA GLN A 70 11.763 8.601 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.413 10.628 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.405 11.025 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.834 10.866 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.034 10.848 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.825 12.696 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.827 14.276 6.220 1.00 0.00 H new ATOM 1038 N GLU A 71 8.737 8.104 5.469 1.00 0.00 N ATOM 1039 CA GLU A 71 7.936 7.470 6.500 1.00 0.00 C ATOM 1040 C GLU A 71 7.805 5.982 6.303 1.00 0.00 C ATOM 1041 O GLU A 71 7.781 5.237 7.282 1.00 0.00 O ATOM 1042 CB GLU A 71 6.555 8.106 6.565 1.00 0.00 C ATOM 1043 CG GLU A 71 6.577 9.539 7.045 1.00 0.00 C ATOM 1044 CD GLU A 71 7.162 9.644 8.429 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.417 9.533 9.411 1.00 0.00 O ATOM 1046 OE2 GLU A 71 8.380 9.784 8.571 1.00 0.00 O ATOM 0 H GLU A 71 8.211 8.411 4.650 1.00 0.00 H new ATOM 0 HA GLU A 71 8.459 7.627 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.099 8.069 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.923 7.517 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.161 10.147 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.564 9.940 7.045 1.00 0.00 H new ATOM 1053 N GLN A 72 7.742 5.550 5.036 1.00 0.00 N ATOM 1054 CA GLN A 72 7.642 4.149 4.669 1.00 0.00 C ATOM 1055 C GLN A 72 6.502 3.451 5.456 1.00 0.00 C ATOM 1056 O GLN A 72 6.662 2.368 6.034 1.00 0.00 O ATOM 1057 CB GLN A 72 9.024 3.521 4.841 1.00 0.00 C ATOM 1058 CG GLN A 72 9.204 2.211 4.141 1.00 0.00 C ATOM 1059 CD GLN A 72 10.638 1.776 4.148 1.00 0.00 C ATOM 1060 OE1 GLN A 72 10.946 0.603 4.194 1.00 0.00 O ATOM 1061 NE2 GLN A 72 11.521 2.698 3.997 1.00 0.00 N ATOM 0 H GLN A 72 7.760 6.180 4.234 1.00 0.00 H new ATOM 0 HA GLN A 72 7.356 4.025 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.775 4.221 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.214 3.379 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.590 1.451 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.854 2.296 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.236 3.677 3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.507 2.451 3.913 1.00 0.00 H new ATOM 1070 N HIS A 73 5.309 4.105 5.405 1.00 0.00 N ATOM 1071 CA HIS A 73 4.123 3.725 6.102 1.00 0.00 C ATOM 1072 C HIS A 73 3.696 2.293 5.810 1.00 0.00 C ATOM 1073 O HIS A 73 3.164 1.620 6.691 1.00 0.00 O ATOM 1074 CB HIS A 73 3.014 4.692 5.726 1.00 0.00 C ATOM 1075 CG HIS A 73 3.033 6.051 6.411 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.729 7.201 5.721 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.217 6.367 7.713 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.718 8.159 6.584 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.011 7.722 7.813 1.00 0.00 N ATOM 0 H HIS A 73 5.179 4.945 4.841 1.00 0.00 H new ATOM 0 HA HIS A 73 4.330 3.768 7.171 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.053 4.853 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.058 4.215 5.942 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.474 5.690 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.499 9.189 6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.070 8.286 8.661 1.00 0.00 H new ATOM 1087 N ALA A 74 3.945 1.842 4.590 1.00 0.00 N ATOM 1088 CA ALA A 74 3.615 0.479 4.173 1.00 0.00 C ATOM 1089 C ALA A 74 4.369 -0.536 5.030 1.00 0.00 C ATOM 1090 O ALA A 74 3.810 -1.558 5.477 1.00 0.00 O ATOM 1091 CB ALA A 74 3.948 0.290 2.698 1.00 0.00 C ATOM 0 H ALA A 74 4.380 2.405 3.860 1.00 0.00 H new ATOM 0 HA ALA A 74 2.546 0.316 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.699 -0.727 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.371 0.997 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.012 0.465 2.540 1.00 0.00 H new ATOM 1097 N LEU A 75 5.602 -0.223 5.360 1.00 0.00 N ATOM 1098 CA LEU A 75 6.357 -1.141 6.142 1.00 0.00 C ATOM 1099 C LEU A 75 6.022 -1.047 7.580 1.00 0.00 C ATOM 1100 O LEU A 75 6.025 -2.048 8.263 1.00 0.00 O ATOM 1101 CB LEU A 75 7.836 -1.099 5.907 1.00 0.00 C ATOM 1102 CG LEU A 75 8.315 -1.864 4.687 1.00 0.00 C ATOM 1103 CD1 LEU A 75 7.988 -1.166 3.374 1.00 0.00 C ATOM 1104 CD2 LEU A 75 9.760 -2.127 4.814 1.00 0.00 C ATOM 0 H LEU A 75 6.082 0.639 5.102 1.00 0.00 H new ATOM 0 HA LEU A 75 6.050 -2.125 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.143 -0.058 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.340 -1.497 6.788 1.00 0.00 H new ATOM 0 HG LEU A 75 7.773 -2.809 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.357 -1.765 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.908 -1.047 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.464 -0.186 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.108 -2.677 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.297 -1.181 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.945 -2.718 5.711 1.00 0.00 H new ATOM 1116 N LYS A 76 5.738 0.161 8.070 1.00 0.00 N ATOM 1117 CA LYS A 76 5.221 0.315 9.428 1.00 0.00 C ATOM 1118 C LYS A 76 3.945 -0.501 9.573 1.00 0.00 C ATOM 1119 O LYS A 76 3.698 -1.112 10.606 1.00 0.00 O ATOM 1120 CB LYS A 76 4.907 1.780 9.718 1.00 0.00 C ATOM 1121 CG LYS A 76 6.040 2.729 9.389 1.00 0.00 C ATOM 1122 CD LYS A 76 5.719 4.155 9.777 1.00 0.00 C ATOM 1123 CE LYS A 76 5.698 4.340 11.295 1.00 0.00 C ATOM 1124 NZ LYS A 76 5.428 5.738 11.687 1.00 0.00 N ATOM 0 H LYS A 76 5.855 1.034 7.555 1.00 0.00 H new ATOM 0 HA LYS A 76 5.976 -0.033 10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.025 2.072 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.654 1.885 10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.943 2.408 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.252 2.683 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.458 4.826 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.750 4.435 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.937 3.691 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.656 4.028 11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.424 5.813 12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.168 6.357 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.502 6.030 11.315 1.00 0.00 H new ATOM 1138 N HIS A 77 3.187 -0.571 8.491 1.00 0.00 N ATOM 1139 CA HIS A 77 1.945 -1.307 8.460 1.00 0.00 C ATOM 1140 C HIS A 77 2.235 -2.793 8.529 1.00 0.00 C ATOM 1141 O HIS A 77 1.493 -3.554 9.162 1.00 0.00 O ATOM 1142 CB HIS A 77 1.150 -0.942 7.225 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.211 -1.555 7.109 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.334 -0.974 7.627 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.636 -2.673 6.449 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.378 -1.705 7.281 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.021 -2.751 6.557 1.00 0.00 N ATOM 0 H HIS A 77 3.421 -0.115 7.609 1.00 0.00 H new ATOM 0 HA HIS A 77 1.337 -1.042 9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.041 0.142 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.730 -1.228 6.347 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.361 -0.121 8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.003 -3.378 5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.397 -1.476 7.556 1.00 0.00 H new ATOM 1155 N TYR A 78 3.303 -3.205 7.898 1.00 0.00 N ATOM 1156 CA TYR A 78 3.729 -4.576 8.001 1.00 0.00 C ATOM 1157 C TYR A 78 4.281 -4.872 9.386 1.00 0.00 C ATOM 1158 O TYR A 78 4.074 -5.959 9.933 1.00 0.00 O ATOM 1159 CB TYR A 78 4.760 -4.885 6.944 1.00 0.00 C ATOM 1160 CG TYR A 78 5.382 -6.262 7.067 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.612 -7.416 6.952 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.740 -6.402 7.320 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.185 -8.665 7.081 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.317 -7.645 7.449 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.536 -8.776 7.328 1.00 0.00 C ATOM 1166 OH TYR A 78 7.109 -10.022 7.450 1.00 0.00 O ATOM 0 H TYR A 78 3.891 -2.614 7.310 1.00 0.00 H new ATOM 0 HA TYR A 78 2.861 -5.215 7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.296 -4.795 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.550 -4.136 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.553 -7.333 6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.355 -5.519 7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.576 -9.552 6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.375 -7.735 7.644 1.00 0.00 H new ATOM 0 HH TYR A 78 8.069 -9.925 7.622 1.00 0.00 H new ATOM 1176 N LEU A 79 4.965 -3.910 9.966 1.00 0.00 N ATOM 1177 CA LEU A 79 5.567 -4.077 11.270 1.00 0.00 C ATOM 1178 C LEU A 79 4.567 -3.844 12.363 1.00 0.00 C ATOM 1179 O LEU A 79 4.887 -3.974 13.548 1.00 0.00 O ATOM 1180 CB LEU A 79 6.757 -3.133 11.431 1.00 0.00 C ATOM 1181 CG LEU A 79 7.865 -3.302 10.398 1.00 0.00 C ATOM 1182 CD1 LEU A 79 9.025 -2.380 10.695 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.307 -4.748 10.332 1.00 0.00 C ATOM 0 H LEU A 79 5.119 -2.992 9.548 1.00 0.00 H new ATOM 0 HA LEU A 79 5.919 -5.106 11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.394 -2.106 11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.183 -3.277 12.424 1.00 0.00 H new ATOM 0 HG LEU A 79 7.473 -3.026 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.802 -2.520 9.944 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.682 -1.346 10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.428 -2.609 11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.099 -4.853 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.680 -5.059 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.461 -5.375 10.051 1.00 0.00 H new ATOM 1195 N THR A 80 3.370 -3.477 11.976 1.00 0.00 N ATOM 1196 CA THR A 80 2.300 -3.328 12.944 1.00 0.00 C ATOM 1197 C THR A 80 1.975 -4.717 13.529 1.00 0.00 C ATOM 1198 O THR A 80 1.746 -5.658 12.770 1.00 0.00 O ATOM 1199 CB THR A 80 1.031 -2.747 12.287 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.307 -1.455 11.727 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.111 -2.628 13.291 1.00 0.00 C ATOM 0 H THR A 80 3.109 -3.277 11.010 1.00 0.00 H new ATOM 0 HA THR A 80 2.624 -2.641 13.726 1.00 0.00 H new ATOM 0 HB THR A 80 0.728 -3.433 11.496 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.237 -1.424 11.420 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.990 -2.215 12.795 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.349 -3.614 13.690 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.188 -1.969 14.106 1.00 0.00 H new ATOM 1209 N PRO A 81 1.994 -4.878 14.862 1.00 0.00 N ATOM 1210 CA PRO A 81 1.703 -6.152 15.491 1.00 0.00 C ATOM 1211 C PRO A 81 0.240 -6.499 15.389 1.00 0.00 C ATOM 1212 O PRO A 81 -0.641 -5.910 16.043 1.00 0.00 O ATOM 1213 CB PRO A 81 2.102 -5.965 16.926 1.00 0.00 C ATOM 1214 CG PRO A 81 1.929 -4.531 17.145 1.00 0.00 C ATOM 1215 CD PRO A 81 2.298 -3.849 15.860 1.00 0.00 C ATOM 0 HA PRO A 81 2.237 -6.971 15.009 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.474 -6.552 17.597 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.132 -6.276 17.100 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.900 -4.304 17.422 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.562 -4.185 17.962 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.715 -2.942 15.699 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.349 -3.561 15.840 1.00 0.00 H new ATOM 1223 N ARG A 82 0.003 -7.395 14.556 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.317 -7.883 14.270 1.00 0.00 C ATOM 1225 C ARG A 82 -1.330 -9.389 14.088 1.00 0.00 C ATOM 1226 O ARG A 82 -0.275 -10.016 13.943 1.00 0.00 O ATOM 1227 CB ARG A 82 -1.959 -7.153 13.078 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.051 -6.945 11.887 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.815 -6.396 10.696 1.00 0.00 C ATOM 1230 NE ARG A 82 -2.618 -5.206 11.054 1.00 0.00 N ATOM 1231 CZ ARG A 82 -2.339 -3.924 10.758 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -1.224 -3.601 10.102 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -3.180 -2.957 11.141 1.00 0.00 N ATOM 0 H ARG A 82 0.733 -7.853 14.010 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.934 -7.660 15.140 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.833 -7.718 12.754 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.316 -6.180 13.417 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.249 -6.257 12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.582 -7.891 11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.113 -6.135 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.471 -7.170 10.298 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.474 -5.376 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.570 -4.330 9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.025 -2.625 9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.029 -3.193 11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.973 -1.983 10.919 1.00 0.00 H new ATOM 1247 N SER A 83 -2.511 -9.964 14.113 1.00 0.00 N ATOM 1248 CA SER A 83 -2.678 -11.391 13.994 1.00 0.00 C ATOM 1249 C SER A 83 -2.586 -11.821 12.529 1.00 0.00 C ATOM 1250 O SER A 83 -2.135 -12.928 12.214 1.00 0.00 O ATOM 1251 CB SER A 83 -4.023 -11.788 14.583 1.00 0.00 C ATOM 1252 OG SER A 83 -4.158 -11.284 15.912 1.00 0.00 O ATOM 0 H SER A 83 -3.386 -9.450 14.217 1.00 0.00 H new ATOM 0 HA SER A 83 -1.882 -11.894 14.543 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.828 -11.401 13.958 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.117 -12.874 14.589 1.00 0.00 H new ATOM 0 HG SER A 83 -5.030 -11.547 16.275 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.009 -10.953 11.644 1.00 0.00 N ATOM 1259 CA GLU A 84 -2.917 -11.219 10.236 1.00 0.00 C ATOM 1260 C GLU A 84 -1.624 -10.618 9.729 1.00 0.00 C ATOM 1261 O GLU A 84 -1.188 -9.604 10.252 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.069 -10.598 9.499 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.429 -10.979 9.995 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.483 -10.386 9.136 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.654 -9.145 9.131 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.152 -11.141 8.409 1.00 0.00 O ATOM 0 H GLU A 84 -3.423 -10.051 11.879 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.942 -12.296 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.971 -9.514 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.995 -10.872 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.528 -12.064 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.556 -10.639 11.023 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.005 -11.202 8.702 1.00 0.00 N ATOM 1274 CA PRO A 85 0.280 -10.733 8.227 1.00 0.00 C ATOM 1275 C PRO A 85 0.217 -9.407 7.450 1.00 0.00 C ATOM 1276 O PRO A 85 1.082 -8.546 7.627 1.00 0.00 O ATOM 1277 CB PRO A 85 0.789 -11.878 7.350 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.431 -12.606 6.901 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.490 -12.375 7.947 1.00 0.00 C ATOM 0 HA PRO A 85 0.942 -10.499 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.356 -11.499 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.455 -12.535 7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.763 -12.241 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.226 -13.671 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.462 -12.182 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.607 -13.244 8.594 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.827 -9.250 6.588 1.00 0.00 N ATOM 1288 CA HIS A 86 -0.999 -8.041 5.732 1.00 0.00 C ATOM 1289 C HIS A 86 0.269 -7.751 4.965 1.00 0.00 C ATOM 1290 O HIS A 86 0.611 -6.606 4.717 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.399 -6.819 6.577 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.804 -6.859 7.070 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.672 -5.844 6.806 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.430 -7.805 7.801 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.818 -6.187 7.392 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.711 -7.377 8.007 1.00 0.00 N ATOM 0 H HIS A 86 -1.562 -9.947 6.468 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.801 -8.244 5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.727 -6.745 7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.259 -5.917 5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.999 -8.729 8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.716 -5.587 7.375 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.442 -7.864 8.525 1.00 0.00 H new ATOM 1304 N CYS A 87 0.872 -8.798 4.488 1.00 0.00 N ATOM 1305 CA CYS A 87 2.220 -8.711 3.963 1.00 0.00 C ATOM 1306 C CYS A 87 2.281 -8.587 2.477 1.00 0.00 C ATOM 1307 O CYS A 87 3.340 -8.798 1.872 1.00 0.00 O ATOM 1308 CB CYS A 87 2.967 -9.948 4.370 1.00 0.00 C ATOM 1309 SG CYS A 87 2.047 -11.480 4.062 1.00 0.00 S ATOM 0 H CYS A 87 0.458 -9.730 4.447 1.00 0.00 H new ATOM 0 HA CYS A 87 2.664 -7.804 4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.913 -9.986 3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.208 -9.885 5.431 1.00 0.00 H new ATOM 0 HG CYS A 87 2.473 -12.028 2.963 1.00 0.00 H new ATOM 1315 N LEU A 88 1.188 -8.272 1.896 1.00 0.00 N ATOM 1316 CA LEU A 88 1.087 -8.187 0.481 1.00 0.00 C ATOM 1317 C LEU A 88 0.728 -6.864 0.068 1.00 0.00 C ATOM 1318 O LEU A 88 -0.237 -6.304 0.547 1.00 0.00 O ATOM 1319 CB LEU A 88 0.177 -9.236 -0.092 1.00 0.00 C ATOM 1320 CG LEU A 88 0.860 -10.548 -0.245 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.055 -11.651 -0.640 1.00 0.00 C ATOM 1322 CD2 LEU A 88 1.999 -10.471 -1.218 1.00 0.00 C ATOM 0 H LEU A 88 0.322 -8.062 2.392 1.00 0.00 H new ATOM 0 HA LEU A 88 2.075 -8.396 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.692 -9.354 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.191 -8.904 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 88 1.246 -10.782 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.511 -12.578 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.827 -11.772 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.521 -11.413 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.472 -11.449 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.623 -10.164 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.730 -9.743 -0.866 1.00 0.00 H new ATOM 1334 N VAL A 89 1.543 -6.341 -0.785 1.00 0.00 N ATOM 1335 CA VAL A 89 1.324 -5.061 -1.348 1.00 0.00 C ATOM 1336 C VAL A 89 1.661 -5.118 -2.806 1.00 0.00 C ATOM 1337 O VAL A 89 2.507 -5.915 -3.218 1.00 0.00 O ATOM 1338 CB VAL A 89 2.203 -3.958 -0.694 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.859 -3.737 0.761 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.662 -4.299 -0.836 1.00 0.00 C ATOM 0 H VAL A 89 2.392 -6.802 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 89 0.279 -4.803 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 89 1.995 -3.027 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.500 -2.957 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.816 -3.431 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.012 -4.663 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.265 -3.518 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.863 -5.251 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.917 -4.376 -1.893 1.00 0.00 H new ATOM 1350 N LEU A 90 0.966 -4.383 -3.588 1.00 0.00 N ATOM 1351 CA LEU A 90 1.364 -4.211 -4.932 1.00 0.00 C ATOM 1352 C LEU A 90 1.859 -2.799 -5.070 1.00 0.00 C ATOM 1353 O LEU A 90 1.524 -1.936 -4.243 1.00 0.00 O ATOM 1354 CB LEU A 90 0.231 -4.573 -5.952 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.969 -3.619 -6.093 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.617 -2.442 -6.932 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.192 -4.307 -6.668 1.00 0.00 C ATOM 0 H LEU A 90 0.115 -3.889 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 90 2.165 -4.907 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.691 -4.673 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.157 -5.555 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.217 -3.285 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.482 -1.784 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.208 -1.900 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.320 -2.779 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.009 -3.590 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.957 -4.700 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.490 -5.126 -6.014 1.00 0.00 H new ATOM 1369 N SER A 91 2.618 -2.553 -6.057 1.00 0.00 N ATOM 1370 CA SER A 91 3.170 -1.268 -6.259 1.00 0.00 C ATOM 1371 C SER A 91 2.349 -0.511 -7.283 1.00 0.00 C ATOM 1372 O SER A 91 1.977 -1.048 -8.317 1.00 0.00 O ATOM 1373 CB SER A 91 4.627 -1.395 -6.723 1.00 0.00 C ATOM 1374 OG SER A 91 4.754 -1.791 -8.076 1.00 0.00 O ATOM 0 H SER A 91 2.882 -3.242 -6.761 1.00 0.00 H new ATOM 0 HA SER A 91 3.151 -0.714 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.130 -0.438 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.140 -2.119 -6.090 1.00 0.00 H new ATOM 0 HG SER A 91 5.703 -1.852 -8.311 1.00 0.00 H new ATOM 1380 N LEU A 92 2.073 0.717 -7.001 1.00 0.00 N ATOM 1381 CA LEU A 92 1.372 1.576 -7.933 1.00 0.00 C ATOM 1382 C LEU A 92 2.383 2.309 -8.792 1.00 0.00 C ATOM 1383 O LEU A 92 2.063 3.265 -9.478 1.00 0.00 O ATOM 1384 CB LEU A 92 0.510 2.551 -7.146 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.666 1.910 -6.412 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.179 2.820 -5.363 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.781 1.654 -7.365 1.00 0.00 C ATOM 0 H LEU A 92 2.321 1.167 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 92 0.728 0.990 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.138 3.066 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.126 3.309 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.315 0.979 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.017 2.348 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.386 3.032 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.512 3.751 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.616 1.197 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.105 2.596 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.440 0.982 -8.152 1.00 0.00 H new ATOM 1399 N ASP A 93 3.600 1.810 -8.770 1.00 0.00 N ATOM 1400 CA ASP A 93 4.698 2.424 -9.480 1.00 0.00 C ATOM 1401 C ASP A 93 5.091 1.595 -10.669 1.00 0.00 C ATOM 1402 O ASP A 93 5.160 2.096 -11.780 1.00 0.00 O ATOM 1403 CB ASP A 93 5.922 2.642 -8.561 1.00 0.00 C ATOM 1404 CG ASP A 93 5.733 3.737 -7.529 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.968 3.537 -6.553 1.00 0.00 O ATOM 1406 OD2 ASP A 93 6.360 4.832 -7.677 1.00 0.00 O ATOM 0 H ASP A 93 3.855 0.966 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 93 4.356 3.400 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.148 1.708 -8.047 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.788 2.884 -9.178 1.00 0.00 H new ATOM 1411 N ASN A 94 5.346 0.330 -10.446 1.00 0.00 N ATOM 1412 CA ASN A 94 5.774 -0.553 -11.534 1.00 0.00 C ATOM 1413 C ASN A 94 4.757 -1.671 -11.706 1.00 0.00 C ATOM 1414 O ASN A 94 4.793 -2.445 -12.678 1.00 0.00 O ATOM 1415 CB ASN A 94 7.163 -1.131 -11.213 1.00 0.00 C ATOM 1416 CG ASN A 94 7.762 -1.958 -12.344 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.527 -1.699 -13.521 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.535 -2.943 -11.995 1.00 0.00 N ATOM 0 H ASN A 94 5.270 -0.121 -9.534 1.00 0.00 H new ATOM 0 HA ASN A 94 5.838 0.011 -12.465 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.841 -0.311 -10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.090 -1.752 -10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.968 -3.529 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.709 -3.130 -11.007 1.00 0.00 H new ATOM 1425 N TRP A 95 3.821 -1.703 -10.771 1.00 0.00 N ATOM 1426 CA TRP A 95 2.797 -2.721 -10.678 1.00 0.00 C ATOM 1427 C TRP A 95 3.401 -4.083 -10.431 1.00 0.00 C ATOM 1428 O TRP A 95 3.311 -4.988 -11.262 1.00 0.00 O ATOM 1429 CB TRP A 95 1.827 -2.724 -11.873 1.00 0.00 C ATOM 1430 CG TRP A 95 1.034 -1.466 -12.008 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.318 -0.402 -12.809 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.171 -1.137 -11.316 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.358 0.559 -12.661 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.565 0.138 -11.752 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -0.959 -1.798 -10.373 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.709 0.769 -11.280 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.094 -1.171 -9.903 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.461 0.100 -10.359 1.00 0.00 C ATOM 0 H TRP A 95 3.754 -0.999 -10.036 1.00 0.00 H new ATOM 0 HA TRP A 95 2.186 -2.465 -9.812 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.395 -2.885 -12.789 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.142 -3.565 -11.771 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.174 -0.329 -13.463 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.336 1.452 -13.154 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.686 -2.781 -10.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.992 1.751 -11.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.711 -1.670 -9.170 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.358 0.561 -9.974 1.00 0.00 H new ATOM 1449 N SER A 96 4.116 -4.193 -9.347 1.00 0.00 N ATOM 1450 CA SER A 96 4.648 -5.454 -8.942 1.00 0.00 C ATOM 1451 C SER A 96 3.988 -5.826 -7.661 1.00 0.00 C ATOM 1452 O SER A 96 3.244 -5.028 -7.104 1.00 0.00 O ATOM 1453 CB SER A 96 6.149 -5.386 -8.718 1.00 0.00 C ATOM 1454 OG SER A 96 6.817 -4.828 -9.850 1.00 0.00 O ATOM 0 H SER A 96 4.343 -3.416 -8.727 1.00 0.00 H new ATOM 0 HA SER A 96 4.462 -6.188 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.360 -4.783 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.535 -6.386 -8.521 1.00 0.00 H new ATOM 0 HG SER A 96 7.781 -4.795 -9.677 1.00 0.00 H new ATOM 1460 N VAL A 97 4.248 -6.989 -7.196 1.00 0.00 N ATOM 1461 CA VAL A 97 3.779 -7.394 -5.928 1.00 0.00 C ATOM 1462 C VAL A 97 4.969 -7.626 -5.030 1.00 0.00 C ATOM 1463 O VAL A 97 6.001 -8.116 -5.483 1.00 0.00 O ATOM 1464 CB VAL A 97 2.898 -8.663 -6.030 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.772 -9.334 -4.732 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.522 -8.318 -6.437 1.00 0.00 C ATOM 0 H VAL A 97 4.797 -7.693 -7.689 1.00 0.00 H new ATOM 0 HA VAL A 97 3.149 -6.611 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 97 3.385 -9.308 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.147 -10.221 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.760 -9.627 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.315 -8.653 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.923 -9.226 -6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.083 -7.645 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.543 -7.827 -7.410 1.00 0.00 H new ATOM 1476 N TRP A 98 4.837 -7.268 -3.796 1.00 0.00 N ATOM 1477 CA TRP A 98 5.855 -7.506 -2.852 1.00 0.00 C ATOM 1478 C TRP A 98 5.238 -8.266 -1.715 1.00 0.00 C ATOM 1479 O TRP A 98 4.108 -7.920 -1.259 1.00 0.00 O ATOM 1480 CB TRP A 98 6.486 -6.220 -2.321 1.00 0.00 C ATOM 1481 CG TRP A 98 7.725 -6.526 -1.557 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.845 -6.701 -0.212 1.00 0.00 C ATOM 1483 CD2 TRP A 98 9.012 -6.754 -2.109 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.128 -7.041 0.100 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.865 -7.070 -1.049 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.527 -6.719 -3.407 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.195 -7.359 -1.238 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.859 -7.001 -3.596 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.683 -7.323 -2.513 1.00 0.00 C ATOM 0 H TRP A 98 4.012 -6.800 -3.421 1.00 0.00 H new ATOM 0 HA TRP A 98 6.656 -8.066 -3.335 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.719 -5.552 -3.151 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.776 -5.697 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.043 -6.587 0.502 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.479 -7.241 1.037 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.891 -6.475 -4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.835 -7.607 -0.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.274 -6.974 -4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.725 -7.547 -2.688 1.00 0.00 H new ATOM 1500 N CYS A 99 5.926 -9.306 -1.265 1.00 0.00 N ATOM 1501 CA CYS A 99 5.469 -10.033 -0.124 1.00 0.00 C ATOM 1502 C CYS A 99 6.511 -9.905 0.902 1.00 0.00 C ATOM 1503 O CYS A 99 7.593 -10.452 0.751 1.00 0.00 O ATOM 1504 CB CYS A 99 5.174 -11.507 -0.426 1.00 0.00 C ATOM 1505 SG CYS A 99 4.699 -12.492 1.019 1.00 0.00 S ATOM 0 H CYS A 99 6.792 -9.651 -1.678 1.00 0.00 H new ATOM 0 HA CYS A 99 4.519 -9.619 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.374 -11.560 -1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.058 -11.955 -0.880 1.00 0.00 H new ATOM 1510 N TYR A 100 6.192 -9.213 1.948 1.00 0.00 N ATOM 1511 CA TYR A 100 7.179 -8.876 2.961 1.00 0.00 C ATOM 1512 C TYR A 100 7.687 -10.100 3.683 1.00 0.00 C ATOM 1513 O TYR A 100 8.833 -10.158 4.082 1.00 0.00 O ATOM 1514 CB TYR A 100 6.617 -7.923 3.978 1.00 0.00 C ATOM 1515 CG TYR A 100 6.161 -6.591 3.462 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.072 -5.620 3.054 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.821 -6.295 3.408 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.647 -4.400 2.602 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.382 -5.065 2.958 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.309 -4.119 2.555 1.00 0.00 C ATOM 1521 OH TYR A 100 4.896 -2.891 2.106 1.00 0.00 O ATOM 0 H TYR A 100 5.253 -8.861 2.137 1.00 0.00 H new ATOM 0 HA TYR A 100 8.006 -8.404 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.773 -8.406 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.375 -7.752 4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.130 -5.833 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.100 -7.035 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.367 -3.661 2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.326 -4.843 2.921 1.00 0.00 H new ATOM 0 HH TYR A 100 5.541 -2.548 1.453 1.00 0.00 H new ATOM 1531 N VAL A 101 6.840 -11.089 3.807 1.00 0.00 N ATOM 1532 CA VAL A 101 7.199 -12.286 4.544 1.00 0.00 C ATOM 1533 C VAL A 101 7.956 -13.274 3.635 1.00 0.00 C ATOM 1534 O VAL A 101 8.740 -14.081 4.101 1.00 0.00 O ATOM 1535 CB VAL A 101 5.957 -12.928 5.211 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.948 -13.275 4.176 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.316 -14.145 6.051 1.00 0.00 C ATOM 0 H VAL A 101 5.900 -11.095 3.411 1.00 0.00 H new ATOM 0 HA VAL A 101 7.875 -12.007 5.352 1.00 0.00 H new ATOM 0 HB VAL A 101 5.531 -12.193 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.078 -13.726 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.644 -12.372 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.381 -13.982 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.412 -14.559 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.786 -14.898 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.008 -13.851 6.840 1.00 0.00 H new ATOM 1547 N CYS A 102 7.737 -13.176 2.310 1.00 0.00 N ATOM 1548 CA CYS A 102 8.535 -13.962 1.374 1.00 0.00 C ATOM 1549 C CYS A 102 9.853 -13.262 1.260 1.00 0.00 C ATOM 1550 O CYS A 102 10.916 -13.874 1.086 1.00 0.00 O ATOM 1551 CB CYS A 102 7.904 -14.007 -0.012 1.00 0.00 C ATOM 1552 SG CYS A 102 6.707 -15.302 -0.335 1.00 0.00 S ATOM 0 H CYS A 102 7.033 -12.576 1.881 1.00 0.00 H new ATOM 0 HA CYS A 102 8.619 -14.987 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.419 -13.048 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.706 -14.100 -0.744 1.00 0.00 H new ATOM 1557 N ASP A 103 9.734 -11.961 1.400 1.00 0.00 N ATOM 1558 CA ASP A 103 10.812 -11.014 1.353 1.00 0.00 C ATOM 1559 C ASP A 103 11.429 -11.004 -0.035 1.00 0.00 C ATOM 1560 O ASP A 103 12.656 -11.030 -0.221 1.00 0.00 O ATOM 1561 CB ASP A 103 11.813 -11.286 2.484 1.00 0.00 C ATOM 1562 CG ASP A 103 12.900 -10.253 2.609 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.599 -9.069 2.886 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.088 -10.615 2.508 1.00 0.00 O ATOM 0 H ASP A 103 8.830 -11.516 1.558 1.00 0.00 H new ATOM 0 HA ASP A 103 10.438 -10.005 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.271 -11.342 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.271 -12.261 2.321 1.00 0.00 H new ATOM 1569 N ASN A 104 10.553 -10.967 -1.023 1.00 0.00 N ATOM 1570 CA ASN A 104 10.926 -10.878 -2.365 1.00 0.00 C ATOM 1571 C ASN A 104 9.718 -10.307 -3.138 1.00 0.00 C ATOM 1572 O ASN A 104 8.611 -10.066 -2.534 1.00 0.00 O ATOM 1573 CB ASN A 104 11.288 -12.262 -2.907 1.00 0.00 C ATOM 1574 CG ASN A 104 10.082 -13.110 -3.083 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.469 -12.970 -4.180 1.00 0.00 O flip ATOM 1576 ND2 ASN A 104 9.720 -13.889 -2.235 1.00 0.00 N flip ATOM 0 H ASN A 104 9.544 -11.001 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 104 11.799 -10.235 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.803 -12.157 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.982 -12.752 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.242 -13.972 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.892 -14.464 -2.391 1.00 0.00 H new ATOM 1583 N GLU A 105 9.901 -10.175 -4.439 1.00 0.00 N ATOM 1584 CA GLU A 105 8.922 -9.672 -5.362 1.00 0.00 C ATOM 1585 C GLU A 105 8.088 -10.815 -5.936 1.00 0.00 C ATOM 1586 O GLU A 105 8.640 -11.770 -6.451 1.00 0.00 O ATOM 1587 CB GLU A 105 9.700 -9.055 -6.469 1.00 0.00 C ATOM 1588 CG GLU A 105 8.867 -8.282 -7.423 1.00 0.00 C ATOM 1589 CD GLU A 105 9.701 -7.475 -8.371 1.00 0.00 C ATOM 1590 OE1 GLU A 105 10.151 -6.378 -8.000 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.956 -7.942 -9.509 1.00 0.00 O ATOM 0 H GLU A 105 10.778 -10.429 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 105 8.247 -8.971 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.458 -8.396 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.227 -9.839 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.235 -8.966 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.203 -7.618 -6.869 1.00 0.00 H new ATOM 1598 N VAL A 106 6.798 -10.712 -5.902 1.00 0.00 N ATOM 1599 CA VAL A 106 5.968 -11.823 -6.336 1.00 0.00 C ATOM 1600 C VAL A 106 5.544 -11.658 -7.791 1.00 0.00 C ATOM 1601 O VAL A 106 4.992 -10.622 -8.166 1.00 0.00 O ATOM 1602 CB VAL A 106 4.709 -12.005 -5.449 1.00 0.00 C ATOM 1603 CG1 VAL A 106 4.005 -13.299 -5.803 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.088 -11.999 -3.977 1.00 0.00 C ATOM 0 H VAL A 106 6.288 -9.887 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 106 6.582 -12.718 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 106 4.031 -11.172 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.122 -13.417 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.704 -13.275 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.682 -14.138 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.192 -12.128 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.782 -12.815 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.562 -11.050 -3.727 1.00 0.00 H new ATOM 1614 N GLN A 107 5.813 -12.678 -8.603 1.00 0.00 N ATOM 1615 CA GLN A 107 5.402 -12.676 -9.987 1.00 0.00 C ATOM 1616 C GLN A 107 4.122 -13.480 -10.129 1.00 0.00 C ATOM 1617 O GLN A 107 4.131 -14.711 -10.173 1.00 0.00 O ATOM 1618 CB GLN A 107 6.460 -13.226 -10.958 1.00 0.00 C ATOM 1619 CG GLN A 107 7.778 -12.460 -11.029 1.00 0.00 C ATOM 1620 CD GLN A 107 8.866 -13.114 -10.216 1.00 0.00 C ATOM 1621 OE1 GLN A 107 9.582 -13.986 -10.719 1.00 0.00 O ATOM 1622 NE2 GLN A 107 9.021 -12.719 -8.996 1.00 0.00 N ATOM 0 H GLN A 107 6.317 -13.517 -8.315 1.00 0.00 H new ATOM 0 HA GLN A 107 5.250 -11.632 -10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.678 -14.257 -10.678 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.026 -13.253 -11.957 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.098 -12.388 -12.068 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.623 -11.442 -10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.412 -11.996 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.753 -13.130 -8.416 1.00 0.00 H new ATOM 1631 N TYR A 108 3.054 -12.777 -10.141 1.00 0.00 N ATOM 1632 CA TYR A 108 1.710 -13.318 -10.274 1.00 0.00 C ATOM 1633 C TYR A 108 1.297 -13.464 -11.725 1.00 0.00 C ATOM 1634 O TYR A 108 1.959 -12.959 -12.634 1.00 0.00 O ATOM 1635 CB TYR A 108 0.728 -12.389 -9.561 1.00 0.00 C ATOM 1636 CG TYR A 108 0.906 -10.952 -9.941 1.00 0.00 C ATOM 1637 CD1 TYR A 108 1.769 -10.163 -9.228 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.240 -10.399 -11.015 1.00 0.00 C ATOM 1639 CE1 TYR A 108 1.983 -8.863 -9.552 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.436 -9.084 -11.363 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.314 -8.314 -10.629 1.00 0.00 C ATOM 1642 OH TYR A 108 1.511 -7.000 -10.976 1.00 0.00 O ATOM 0 H TYR A 108 3.068 -11.761 -10.056 1.00 0.00 H new ATOM 0 HA TYR A 108 1.700 -14.311 -9.825 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.291 -12.698 -9.794 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.854 -12.493 -8.483 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.294 -10.587 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.444 -11.007 -11.589 1.00 0.00 H new ATOM 0 HE1 TYR A 108 2.670 -8.263 -8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.092 -8.658 -12.203 1.00 0.00 H new ATOM 0 HH TYR A 108 2.467 -6.789 -10.930 1.00 0.00 H new ATOM 1652 N CYS A 109 0.236 -14.173 -11.919 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.405 -14.328 -13.184 1.00 0.00 C ATOM 1654 C CYS A 109 -1.877 -14.099 -12.953 1.00 0.00 C ATOM 1655 O CYS A 109 -2.385 -14.454 -11.884 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.177 -15.732 -13.736 1.00 0.00 C ATOM 1657 SG CYS A 109 -1.070 -16.070 -15.264 1.00 0.00 S ATOM 0 H CYS A 109 -0.229 -14.683 -11.168 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.001 -13.622 -13.910 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.889 -15.874 -13.911 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -0.476 -16.461 -12.983 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.814 -17.282 -15.657 1.00 0.00 H new ATOM 1663 N SER A 110 -2.558 -13.519 -13.923 1.00 0.00 N ATOM 1664 CA SER A 110 -3.974 -13.197 -13.816 1.00 0.00 C ATOM 1665 C SER A 110 -4.866 -14.454 -13.696 1.00 0.00 C ATOM 1666 O SER A 110 -6.027 -14.362 -13.296 1.00 0.00 O ATOM 1667 CB SER A 110 -4.381 -12.325 -14.995 1.00 0.00 C ATOM 1668 OG SER A 110 -3.560 -11.152 -15.051 1.00 0.00 O ATOM 0 H SER A 110 -2.143 -13.255 -14.816 1.00 0.00 H new ATOM 0 HA SER A 110 -4.128 -12.643 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.286 -12.889 -15.923 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.429 -12.040 -14.901 1.00 0.00 H new ATOM 0 HG SER A 110 -3.830 -10.600 -15.814 1.00 0.00 H new ATOM 1674 N SER A 111 -4.322 -15.616 -14.035 1.00 0.00 N ATOM 1675 CA SER A 111 -5.039 -16.867 -13.871 1.00 0.00 C ATOM 1676 C SER A 111 -5.150 -17.213 -12.372 1.00 0.00 C ATOM 1677 O SER A 111 -6.112 -17.837 -11.922 1.00 0.00 O ATOM 1678 CB SER A 111 -4.290 -17.971 -14.612 1.00 0.00 C ATOM 1679 OG SER A 111 -4.026 -17.578 -15.953 1.00 0.00 O ATOM 0 H SER A 111 -3.385 -15.715 -14.426 1.00 0.00 H new ATOM 0 HA SER A 111 -6.044 -16.773 -14.282 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.353 -18.191 -14.100 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.880 -18.888 -14.604 1.00 0.00 H new ATOM 0 HG SER A 111 -3.173 -17.097 -15.991 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.185 -16.764 -11.609 1.00 0.00 N ATOM 1686 CA ASN A 112 -4.140 -17.029 -10.189 1.00 0.00 C ATOM 1687 C ASN A 112 -4.706 -15.830 -9.444 1.00 0.00 C ATOM 1688 O ASN A 112 -4.595 -14.704 -9.922 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.690 -17.315 -9.753 1.00 0.00 C ATOM 1690 CG ASN A 112 -2.529 -17.573 -8.257 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -3.433 -18.058 -7.591 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.383 -17.249 -7.726 1.00 0.00 N ATOM 0 H ASN A 112 -3.406 -16.203 -11.954 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.741 -17.908 -9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -2.321 -18.181 -10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.064 -16.469 -10.034 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.222 -17.398 -6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.648 -16.846 -8.307 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.305 -16.089 -8.290 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.969 -15.096 -7.411 1.00 0.00 C ATOM 1701 C GLN A 113 -5.190 -13.780 -7.275 1.00 0.00 C ATOM 1702 O GLN A 113 -5.772 -12.689 -7.342 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.141 -15.700 -6.014 1.00 0.00 C ATOM 1704 CG GLN A 113 -6.638 -14.714 -4.977 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.525 -15.224 -3.559 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -6.226 -14.318 -2.666 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -6.645 -16.418 -3.284 1.00 0.00 N flip ATOM 0 H GLN A 113 -5.352 -17.035 -7.911 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.927 -14.861 -7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.840 -16.534 -6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.185 -16.108 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.072 -13.787 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.680 -14.473 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.880 -17.089 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.510 -16.736 -2.324 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.890 -13.879 -7.121 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.057 -12.725 -6.893 1.00 0.00 C ATOM 1718 C LEU A 114 -3.034 -11.827 -8.120 1.00 0.00 C ATOM 1719 O LEU A 114 -3.209 -10.616 -8.009 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.662 -13.206 -6.507 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.614 -12.147 -6.202 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -1.086 -11.195 -5.122 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.656 -12.816 -5.771 1.00 0.00 C ATOM 0 H LEU A 114 -3.382 -14.763 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.460 -12.124 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.758 -13.847 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.285 -13.829 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.441 -11.565 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.313 -10.451 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.997 -10.695 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.289 -11.753 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.409 -12.059 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.469 -13.411 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.015 -13.464 -6.570 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.907 -12.435 -9.276 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.948 -11.685 -10.493 1.00 0.00 C ATOM 1737 C GLY A 115 -4.344 -11.171 -10.757 1.00 0.00 C ATOM 1738 O GLY A 115 -4.504 -10.072 -11.265 1.00 0.00 O ATOM 0 H GLY A 115 -2.776 -13.440 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.252 -10.848 -10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.623 -12.312 -11.323 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.370 -11.972 -10.398 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.787 -11.572 -10.549 1.00 0.00 C ATOM 1744 C GLN A 116 -7.059 -10.306 -9.802 1.00 0.00 C ATOM 1745 O GLN A 116 -7.708 -9.381 -10.321 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.732 -12.625 -9.970 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.558 -13.989 -10.518 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.645 -14.940 -10.059 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -9.775 -14.537 -9.782 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.332 -16.189 -10.029 1.00 0.00 N ATOM 0 H GLN A 116 -5.243 -12.903 -10.000 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.959 -11.450 -11.618 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.592 -12.663 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.759 -12.307 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.556 -13.942 -11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.586 -14.378 -10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.384 -16.483 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.032 -16.884 -9.769 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.529 -10.236 -8.607 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.783 -9.104 -7.784 1.00 0.00 C ATOM 1761 C VAL A 117 -5.986 -7.925 -8.213 1.00 0.00 C ATOM 1762 O VAL A 117 -6.521 -6.856 -8.303 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.693 -9.387 -6.283 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.455 -8.122 -5.473 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.986 -9.995 -5.867 1.00 0.00 C ATOM 0 H VAL A 117 -5.926 -10.947 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.832 -8.850 -7.938 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.849 -10.052 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.398 -8.373 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.519 -7.660 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.277 -7.425 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.959 -10.211 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.799 -9.300 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.148 -10.920 -6.421 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.718 -8.116 -8.501 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.891 -7.026 -9.053 1.00 0.00 C ATOM 1777 C VAL A 118 -4.539 -6.441 -10.287 1.00 0.00 C ATOM 1778 O VAL A 118 -4.591 -5.237 -10.448 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.448 -7.476 -9.402 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.687 -6.368 -10.141 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.695 -7.843 -8.149 1.00 0.00 C ATOM 0 H VAL A 118 -4.226 -9.000 -8.370 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.822 -6.272 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.522 -8.347 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.679 -6.711 -10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.209 -6.123 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.632 -5.481 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.684 -8.157 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.647 -6.978 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.209 -8.660 -7.642 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.113 -7.296 -11.093 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.778 -6.866 -12.319 1.00 0.00 C ATOM 1793 C ASP A 119 -7.014 -6.056 -11.953 1.00 0.00 C ATOM 1794 O ASP A 119 -7.239 -4.961 -12.476 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.187 -8.079 -13.154 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.900 -7.693 -14.426 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.240 -7.240 -15.390 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.127 -7.868 -14.496 1.00 0.00 O ATOM 0 H ASP A 119 -5.139 -8.303 -10.930 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.092 -6.255 -12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.299 -8.661 -13.402 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.835 -8.723 -12.560 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.744 -6.567 -10.972 1.00 0.00 N ATOM 1804 CA TYR A 120 -8.955 -5.933 -10.467 1.00 0.00 C ATOM 1805 C TYR A 120 -8.619 -4.563 -9.877 1.00 0.00 C ATOM 1806 O TYR A 120 -9.183 -3.547 -10.249 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.660 -6.860 -9.423 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.516 -6.148 -8.393 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.753 -5.616 -8.697 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.040 -5.982 -7.108 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.479 -4.944 -7.752 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.746 -5.310 -6.169 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.969 -4.785 -6.491 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.683 -4.086 -5.559 1.00 0.00 O ATOM 0 H TYR A 120 -7.511 -7.441 -10.500 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.653 -5.780 -11.290 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.286 -7.573 -9.960 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.897 -7.436 -8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.153 -5.732 -9.694 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.079 -6.399 -6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.450 -4.541 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.348 -5.189 -5.173 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.392 -3.576 -6.005 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.640 -4.540 -9.046 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.241 -3.358 -8.332 1.00 0.00 C ATOM 1826 C VAL A 121 -6.629 -2.350 -9.291 1.00 0.00 C ATOM 1827 O VAL A 121 -6.769 -1.137 -9.114 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.241 -3.718 -7.197 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.709 -2.503 -6.507 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.886 -4.629 -6.186 1.00 0.00 C ATOM 0 H VAL A 121 -7.072 -5.360 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.123 -2.909 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.403 -4.232 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.015 -2.805 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.189 -1.873 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.534 -1.944 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.168 -4.868 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.751 -4.131 -5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.206 -5.548 -6.677 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.011 -2.848 -10.321 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.459 -2.009 -11.321 1.00 0.00 C ATOM 1842 C ARG A 122 -6.572 -1.390 -12.120 1.00 0.00 C ATOM 1843 O ARG A 122 -6.446 -0.284 -12.580 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.492 -2.762 -12.192 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.683 -1.875 -13.091 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.505 -2.631 -13.642 1.00 0.00 C ATOM 1847 NE ARG A 122 -2.929 -3.791 -14.427 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.139 -4.803 -14.786 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.827 -4.732 -14.586 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -2.666 -5.871 -15.387 1.00 0.00 N ATOM 0 H ARG A 122 -5.880 -3.846 -10.484 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.889 -1.211 -10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.817 -3.338 -11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.045 -3.477 -12.801 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.304 -1.509 -13.908 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.338 -1.002 -12.538 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.906 -1.968 -14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.867 -2.960 -12.822 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.905 -3.828 -14.722 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.421 -3.901 -14.156 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.226 -5.509 -14.862 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.669 -5.910 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.066 -6.648 -15.664 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.686 -2.088 -12.250 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.844 -1.499 -12.875 1.00 0.00 C ATOM 1866 C LYS A 123 -9.553 -0.556 -11.930 1.00 0.00 C ATOM 1867 O LYS A 123 -10.307 0.316 -12.351 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.802 -2.556 -13.347 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.157 -3.477 -14.324 1.00 0.00 C ATOM 1870 CD LYS A 123 -10.120 -3.970 -15.380 1.00 0.00 C ATOM 1871 CE LYS A 123 -10.362 -2.958 -16.522 1.00 0.00 C ATOM 1872 NZ LYS A 123 -11.070 -1.706 -16.116 1.00 0.00 N ATOM 0 H LYS A 123 -7.808 -3.050 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.492 -0.933 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.166 -3.127 -12.493 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.669 -2.083 -13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.325 -2.964 -14.807 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.739 -4.331 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -9.736 -4.898 -15.804 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -11.074 -4.206 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.400 -2.689 -16.958 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -10.941 -3.448 -17.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.412 -1.210 -16.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.877 -1.946 -15.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.414 -1.089 -15.596 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.305 -0.747 -10.637 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.875 0.149 -9.623 1.00 0.00 C ATOM 1888 C GLN A 124 -9.222 1.475 -9.705 1.00 0.00 C ATOM 1889 O GLN A 124 -9.877 2.511 -9.827 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.737 -0.343 -8.175 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.540 -1.557 -7.816 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.723 -1.756 -8.686 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.808 -1.247 -8.435 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.523 -2.514 -9.691 1.00 0.00 N ATOM 0 H GLN A 124 -8.724 -1.499 -10.266 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.940 0.189 -9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.686 -0.557 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.024 0.469 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.901 -2.438 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.869 -1.473 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.598 -2.912 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.288 -2.722 -10.333 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.922 1.421 -9.627 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.080 2.569 -9.679 1.00 0.00 C ATOM 1905 C ALA A 125 -7.143 3.184 -11.050 1.00 0.00 C ATOM 1906 O ALA A 125 -7.438 4.373 -11.186 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.671 2.146 -9.322 1.00 0.00 C ATOM 0 H ALA A 125 -7.409 0.546 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.412 3.323 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.011 3.013 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.662 1.723 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.324 1.397 -10.034 1.00 0.00 H new ATOM 1913 N SER A 126 -6.945 2.323 -12.036 1.00 0.00 N ATOM 1914 CA SER A 126 -6.956 2.633 -13.454 1.00 0.00 C ATOM 1915 C SER A 126 -6.272 3.975 -13.750 1.00 0.00 C ATOM 1916 O SER A 126 -6.969 4.988 -13.982 1.00 0.00 O ATOM 1917 CB SER A 126 -8.403 2.561 -13.984 1.00 0.00 C ATOM 1918 OG SER A 126 -8.463 2.594 -15.409 1.00 0.00 O ATOM 1919 OXT SER A 126 -5.032 4.032 -13.717 1.00 0.00 O ATOM 0 H SER A 126 -6.762 1.336 -11.857 1.00 0.00 H new ATOM 0 HA SER A 126 -6.367 1.888 -13.989 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.874 1.646 -13.624 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.977 3.395 -13.580 1.00 0.00 H new ATOM 0 HG SER A 126 -9.398 2.545 -15.698 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.482 7.479 3.735 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.294 -4.133 5.631 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 4.673 -14.742 0.483 1.00 0.00 ZN