USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=31 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 -108:sc= 0.248 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0.281 USER MOD Set 2.1: A 94 ASN : amide:sc= 0.346 K(o=1.5,f=0.49) USER MOD Set 2.2: A 96 SER OG : rot -136:sc= 1.16 USER MOD Set 3.1: A 53 SER OG : rot -83:sc= 1.98 USER MOD Set 3.2: A 68 ASN : amide:sc= 1.03 K(o=3,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= -0.0883 (180deg=-0.458) USER MOD Single : A 16 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.37) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.01 F(o=-2.2!,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ -127:sc= 0.0621 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0.792 (180deg=0.773) USER MOD Single : A 25 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.4) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.229 F(o=-1.3,f=-0.23) USER MOD Single : A 32 GLN : amide:sc= -0.367! C(o=-0.37!,f=-7.1!) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.09) USER MOD Single : A 36 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 38 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0531 (180deg=-0.293) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.0103 (180deg=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.039 (180deg=-0.214) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 0.726 (180deg=-0.129!) USER MOD Single : A 62 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 63 GLN : amide:sc= -3.52! C(o=-3.5!,f=-19!) USER MOD Single : A 69 SER OG : rot -95:sc= 2.34 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0109 F(o=-1.4!,f=-0.011) 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 26:sc= 0.69 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 100:sc= -3.08! USER MOD Single : A 91 SER OG : rot 175:sc= 0.678 USER MOD Single : A 100 TYR OH : rot 30:sc= -0.193 USER MOD Single : A 104 ASN : amide:sc= -6.82! C(o=-6.8!,f=-6.7!) USER MOD Single : A 107 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.13) USER MOD Single : A 108 TYR OH : rot -156:sc= -0.316 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.748 K(o=0.75,f=-4.1!) USER MOD Single : A 113 GLN :FLIP amide:sc= -1.35 F(o=-5.5!,f=-1.4) USER MOD Single : A 116 GLN : amide:sc= 0.136 K(o=0.14,f=-1.3!) USER MOD Single : A 120 TYR OH : rot 0:sc= -2.7! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.528 K(o=0.53,f=-0.68) USER MOD Single : A 126 SER OG : rot 86:sc= 0.389 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 10.899 -21.352 -2.232 1.00 0.00 N ATOM 2 CA PRO A 5 9.467 -21.313 -2.045 1.00 0.00 C ATOM 3 C PRO A 5 8.794 -20.231 -2.874 1.00 0.00 C ATOM 4 O PRO A 5 9.412 -19.248 -3.299 1.00 0.00 O ATOM 5 CB PRO A 5 9.291 -21.038 -0.548 1.00 0.00 C ATOM 6 CG PRO A 5 10.572 -20.418 -0.134 1.00 0.00 C ATOM 7 CD PRO A 5 11.615 -21.001 -1.006 1.00 0.00 C ATOM 0 HA PRO A 5 9.000 -22.243 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.449 -20.371 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.097 -21.957 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.533 -19.334 -0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.783 -20.624 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.415 -20.287 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.074 -21.877 -0.548 1.00 0.00 H new ATOM 15 N VAL A 6 7.566 -20.458 -3.132 1.00 0.00 N ATOM 16 CA VAL A 6 6.711 -19.547 -3.856 1.00 0.00 C ATOM 17 C VAL A 6 5.880 -18.798 -2.809 1.00 0.00 C ATOM 18 O VAL A 6 5.878 -19.201 -1.629 1.00 0.00 O ATOM 19 CB VAL A 6 5.777 -20.355 -4.833 1.00 0.00 C ATOM 20 CG1 VAL A 6 4.817 -21.266 -4.079 1.00 0.00 C ATOM 21 CG2 VAL A 6 5.021 -19.455 -5.798 1.00 0.00 C ATOM 0 H VAL A 6 7.090 -21.312 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 6 7.291 -18.848 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 6 6.439 -20.983 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.191 -21.804 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.385 -21.980 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.186 -20.666 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.393 -20.064 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.396 -18.762 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.732 -18.893 -6.404 1.00 0.00 H new ATOM 31 N CYS A 7 5.201 -17.737 -3.182 1.00 0.00 N ATOM 32 CA CYS A 7 4.384 -17.071 -2.239 1.00 0.00 C ATOM 33 C CYS A 7 3.083 -17.819 -2.114 1.00 0.00 C ATOM 34 O CYS A 7 2.317 -17.916 -3.064 1.00 0.00 O ATOM 35 CB CYS A 7 4.105 -15.627 -2.590 1.00 0.00 C ATOM 36 SG CYS A 7 3.275 -14.736 -1.251 1.00 0.00 S ATOM 0 H CYS A 7 5.208 -17.335 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 7 4.929 -17.056 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.044 -15.126 -2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.486 -15.587 -3.487 1.00 0.00 H new ATOM 41 N ARG A 8 2.853 -18.357 -0.961 1.00 0.00 N ATOM 42 CA ARG A 8 1.650 -19.060 -0.684 1.00 0.00 C ATOM 43 C ARG A 8 0.829 -18.248 0.280 1.00 0.00 C ATOM 44 O ARG A 8 -0.133 -18.707 0.869 1.00 0.00 O ATOM 45 CB ARG A 8 1.993 -20.395 -0.079 1.00 0.00 C ATOM 46 CG ARG A 8 1.256 -21.527 -0.724 1.00 0.00 C ATOM 47 CD ARG A 8 1.624 -21.662 -2.197 1.00 0.00 C ATOM 48 NE ARG A 8 1.022 -22.862 -2.788 1.00 0.00 N ATOM 49 CZ ARG A 8 1.114 -23.257 -4.067 1.00 0.00 C ATOM 50 NH1 ARG A 8 1.617 -22.446 -4.993 1.00 0.00 N ATOM 51 NH2 ARG A 8 0.632 -24.448 -4.423 1.00 0.00 N ATOM 0 H ARG A 8 3.505 -18.318 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 8 1.079 -19.219 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.066 -20.566 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.763 -20.377 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.486 -22.457 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.182 -21.365 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.289 -20.779 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.708 -21.707 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 8 0.478 -23.457 -2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.938 -21.513 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.682 -22.757 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.197 -25.052 -3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.698 -24.756 -5.393 1.00 0.00 H new ATOM 65 N HIS A 9 1.164 -16.981 0.357 1.00 0.00 N ATOM 66 CA HIS A 9 0.515 -16.062 1.285 1.00 0.00 C ATOM 67 C HIS A 9 -0.603 -15.360 0.576 1.00 0.00 C ATOM 68 O HIS A 9 -1.148 -14.394 1.053 1.00 0.00 O ATOM 69 CB HIS A 9 1.512 -15.045 1.860 1.00 0.00 C ATOM 70 CG HIS A 9 2.625 -15.679 2.630 1.00 0.00 C ATOM 71 ND1 HIS A 9 3.917 -15.590 2.211 1.00 0.00 N ATOM 72 CD2 HIS A 9 2.577 -16.408 3.772 1.00 0.00 C ATOM 73 CE1 HIS A 9 4.629 -16.273 3.098 1.00 0.00 C ATOM 74 NE2 HIS A 9 3.856 -16.781 4.058 1.00 0.00 N ATOM 0 H HIS A 9 1.890 -16.552 -0.216 1.00 0.00 H new ATOM 0 HA HIS A 9 0.118 -16.633 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.933 -14.458 1.044 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.979 -14.351 2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.694 -16.647 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.700 -16.401 3.049 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.163 -17.341 4.853 1.00 0.00 H new ATOM 82 N ILE A 10 -0.951 -15.920 -0.558 1.00 0.00 N ATOM 83 CA ILE A 10 -2.064 -15.508 -1.405 1.00 0.00 C ATOM 84 C ILE A 10 -3.357 -15.647 -0.596 1.00 0.00 C ATOM 85 O ILE A 10 -4.347 -14.986 -0.826 1.00 0.00 O ATOM 86 CB ILE A 10 -2.137 -16.486 -2.614 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.742 -16.648 -3.291 1.00 0.00 C ATOM 88 CG2 ILE A 10 -3.182 -16.021 -3.629 1.00 0.00 C ATOM 89 CD1 ILE A 10 -0.136 -15.370 -3.795 1.00 0.00 C ATOM 0 H ILE A 10 -0.444 -16.718 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.933 -14.481 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.441 -17.462 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.057 -17.101 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.837 -17.343 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.214 -16.720 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.161 -15.981 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.917 -15.030 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.832 -15.581 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.796 -14.923 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.003 -14.678 -2.964 1.00 0.00 H new ATOM 101 N ARG A 11 -3.309 -16.530 0.335 1.00 0.00 N ATOM 102 CA ARG A 11 -4.377 -16.753 1.259 1.00 0.00 C ATOM 103 C ARG A 11 -4.404 -15.686 2.371 1.00 0.00 C ATOM 104 O ARG A 11 -5.440 -15.098 2.677 1.00 0.00 O ATOM 105 CB ARG A 11 -4.167 -18.130 1.870 1.00 0.00 C ATOM 106 CG ARG A 11 -4.345 -19.244 0.853 1.00 0.00 C ATOM 107 CD ARG A 11 -4.086 -20.614 1.443 1.00 0.00 C ATOM 108 NE ARG A 11 -4.446 -21.695 0.503 1.00 0.00 N ATOM 109 CZ ARG A 11 -3.952 -22.954 0.534 1.00 0.00 C ATOM 110 NH1 ARG A 11 -3.077 -23.309 1.466 1.00 0.00 N ATOM 111 NH2 ARG A 11 -4.344 -23.853 -0.365 1.00 0.00 N ATOM 0 H ARG A 11 -2.504 -17.139 0.485 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.331 -16.690 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.166 -18.187 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.871 -18.273 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.359 -19.209 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.667 -19.079 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.033 -20.701 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.659 -20.727 2.363 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.122 -21.474 -0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.773 -22.631 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.708 -24.260 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.021 -23.595 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.968 -24.801 -0.336 1.00 0.00 H new ATOM 125 N LYS A 12 -3.241 -15.418 2.930 1.00 0.00 N ATOM 126 CA LYS A 12 -3.096 -14.572 4.117 1.00 0.00 C ATOM 127 C LYS A 12 -2.986 -13.074 3.839 1.00 0.00 C ATOM 128 O LYS A 12 -3.378 -12.250 4.662 1.00 0.00 O ATOM 129 CB LYS A 12 -1.875 -15.022 4.875 1.00 0.00 C ATOM 130 CG LYS A 12 -1.965 -16.437 5.368 1.00 0.00 C ATOM 131 CD LYS A 12 -0.671 -16.864 5.998 1.00 0.00 C ATOM 132 CE LYS A 12 -0.801 -18.213 6.650 1.00 0.00 C ATOM 133 NZ LYS A 12 -1.743 -18.169 7.786 1.00 0.00 N ATOM 0 H LYS A 12 -2.356 -15.781 2.576 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.015 -14.694 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.001 -14.925 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.720 -14.358 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.774 -16.524 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.208 -17.101 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.112 -16.898 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.364 -16.127 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.145 -18.942 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.176 -18.547 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.580 -18.989 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.594 -17.293 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.719 -18.194 7.429 1.00 0.00 H new ATOM 147 N GLY A 13 -2.445 -12.731 2.724 1.00 0.00 N ATOM 148 CA GLY A 13 -2.210 -11.339 2.410 1.00 0.00 C ATOM 149 C GLY A 13 -3.045 -10.842 1.304 1.00 0.00 C ATOM 150 O GLY A 13 -2.831 -9.756 0.827 1.00 0.00 O ATOM 0 H GLY A 13 -2.150 -13.388 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.400 -10.736 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.160 -11.204 2.152 1.00 0.00 H new ATOM 154 N LEU A 14 -3.979 -11.621 0.893 1.00 0.00 N ATOM 155 CA LEU A 14 -4.849 -11.238 -0.157 1.00 0.00 C ATOM 156 C LEU A 14 -6.243 -11.567 0.311 1.00 0.00 C ATOM 157 O LEU A 14 -6.581 -12.748 0.494 1.00 0.00 O ATOM 158 CB LEU A 14 -4.472 -12.046 -1.377 1.00 0.00 C ATOM 159 CG LEU A 14 -4.888 -11.558 -2.748 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.394 -12.495 -3.769 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.365 -11.360 -2.915 1.00 0.00 C ATOM 0 H LEU A 14 -4.162 -12.548 1.278 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.786 -10.180 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.387 -12.146 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.884 -13.047 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.441 -10.571 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.692 -12.146 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.307 -12.550 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.817 -13.484 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.573 -11.010 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.880 -12.305 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.717 -10.621 -2.195 1.00 0.00 H new ATOM 173 N GLU A 15 -7.043 -10.568 0.544 1.00 0.00 N ATOM 174 CA GLU A 15 -8.351 -10.836 1.072 1.00 0.00 C ATOM 175 C GLU A 15 -9.412 -10.258 0.133 1.00 0.00 C ATOM 176 O GLU A 15 -9.878 -9.137 0.320 1.00 0.00 O ATOM 177 CB GLU A 15 -8.423 -10.258 2.465 1.00 0.00 C ATOM 178 CG GLU A 15 -9.411 -10.907 3.354 1.00 0.00 C ATOM 179 CD GLU A 15 -9.200 -12.386 3.466 1.00 0.00 C ATOM 180 OE1 GLU A 15 -9.712 -13.154 2.614 1.00 0.00 O ATOM 181 OE2 GLU A 15 -8.528 -12.820 4.402 1.00 0.00 O ATOM 0 H GLU A 15 -6.823 -9.585 0.383 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.543 -11.907 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.438 -10.331 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.663 -9.197 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.351 -10.459 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.415 -10.714 2.977 1.00 0.00 H new ATOM 188 N GLN A 16 -9.812 -11.054 -0.841 1.00 0.00 N ATOM 189 CA GLN A 16 -10.595 -10.587 -1.988 1.00 0.00 C ATOM 190 C GLN A 16 -11.879 -9.833 -1.659 1.00 0.00 C ATOM 191 O GLN A 16 -12.122 -8.772 -2.223 1.00 0.00 O ATOM 192 CB GLN A 16 -10.923 -11.722 -2.938 1.00 0.00 C ATOM 193 CG GLN A 16 -9.721 -12.464 -3.480 1.00 0.00 C ATOM 194 CD GLN A 16 -10.103 -13.555 -4.455 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.309 -14.703 -4.072 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.202 -13.210 -5.715 1.00 0.00 N ATOM 0 H GLN A 16 -9.605 -12.052 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.932 -9.862 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.569 -12.433 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.494 -11.322 -3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.055 -11.757 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.164 -12.901 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.023 -12.246 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.458 -13.906 -6.416 1.00 0.00 H new ATOM 205 N GLY A 17 -12.680 -10.365 -0.753 1.00 0.00 N ATOM 206 CA GLY A 17 -13.981 -9.767 -0.451 1.00 0.00 C ATOM 207 C GLY A 17 -13.846 -8.439 0.244 1.00 0.00 C ATOM 208 O GLY A 17 -14.624 -7.492 0.004 1.00 0.00 O ATOM 0 H GLY A 17 -12.461 -11.203 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.543 -9.636 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.555 -10.448 0.177 1.00 0.00 H new ATOM 212 N ASN A 18 -12.835 -8.356 1.058 1.00 0.00 N ATOM 213 CA ASN A 18 -12.530 -7.170 1.832 1.00 0.00 C ATOM 214 C ASN A 18 -11.933 -6.077 0.944 1.00 0.00 C ATOM 215 O ASN A 18 -12.178 -4.887 1.153 1.00 0.00 O ATOM 216 CB ASN A 18 -11.606 -7.559 3.000 1.00 0.00 C ATOM 217 CG ASN A 18 -11.006 -6.396 3.738 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.763 -6.127 3.475 1.00 0.00 O flip ATOM 219 ND2 ASN A 18 -11.633 -5.797 4.602 1.00 0.00 N flip ATOM 0 H ASN A 18 -12.180 -9.123 1.212 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.446 -6.751 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.171 -8.168 3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.799 -8.183 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.608 -6.035 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.180 -5.060 5.142 1.00 0.00 H new ATOM 226 N LEU A 19 -11.204 -6.502 -0.078 1.00 0.00 N ATOM 227 CA LEU A 19 -10.583 -5.598 -1.064 1.00 0.00 C ATOM 228 C LEU A 19 -11.573 -4.672 -1.684 1.00 0.00 C ATOM 229 O LEU A 19 -11.357 -3.467 -1.700 1.00 0.00 O ATOM 230 CB LEU A 19 -9.885 -6.382 -2.161 1.00 0.00 C ATOM 231 CG LEU A 19 -8.460 -6.862 -1.895 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.487 -5.960 -2.582 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.119 -6.889 -0.428 1.00 0.00 C ATOM 0 H LEU A 19 -11.019 -7.489 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.852 -5.004 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.496 -7.255 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.868 -5.762 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.397 -7.880 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.472 -6.306 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.677 -5.970 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.602 -4.945 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.094 -7.238 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.215 -5.886 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.800 -7.563 0.092 1.00 0.00 H new ATOM 245 N LYS A 20 -12.693 -5.214 -2.140 1.00 0.00 N ATOM 246 CA LYS A 20 -13.720 -4.398 -2.780 1.00 0.00 C ATOM 247 C LYS A 20 -14.184 -3.279 -1.844 1.00 0.00 C ATOM 248 O LYS A 20 -14.306 -2.115 -2.257 1.00 0.00 O ATOM 249 CB LYS A 20 -14.953 -5.216 -3.200 1.00 0.00 C ATOM 250 CG LYS A 20 -14.802 -6.138 -4.405 1.00 0.00 C ATOM 251 CD LYS A 20 -13.920 -7.339 -4.172 1.00 0.00 C ATOM 252 CE LYS A 20 -13.901 -8.215 -5.411 1.00 0.00 C ATOM 253 NZ LYS A 20 -13.206 -9.502 -5.204 1.00 0.00 N ATOM 0 H LYS A 20 -12.915 -6.208 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.258 -3.983 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.262 -5.822 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.765 -4.520 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.791 -6.483 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.397 -5.563 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.908 -7.016 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.286 -7.910 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.926 -8.410 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.415 -7.674 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.479 -9.626 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.757 -9.507 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.893 -10.281 -5.263 1.00 0.00 H new ATOM 267 N LYS A 21 -14.303 -3.610 -0.577 1.00 0.00 N ATOM 268 CA LYS A 21 -14.868 -2.715 0.399 1.00 0.00 C ATOM 269 C LYS A 21 -13.863 -1.621 0.734 1.00 0.00 C ATOM 270 O LYS A 21 -14.236 -0.491 1.044 1.00 0.00 O ATOM 271 CB LYS A 21 -15.209 -3.495 1.651 1.00 0.00 C ATOM 272 CG LYS A 21 -15.952 -4.798 1.398 1.00 0.00 C ATOM 273 CD LYS A 21 -17.332 -4.579 0.824 1.00 0.00 C ATOM 274 CE LYS A 21 -18.084 -5.898 0.656 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.404 -6.826 -0.282 1.00 0.00 N ATOM 0 H LYS A 21 -14.009 -4.510 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.772 -2.258 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.287 -3.715 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.816 -2.866 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.371 -5.416 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.035 -5.352 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.899 -3.917 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.251 -4.080 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.186 -6.380 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.092 -5.694 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.988 -7.677 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.268 -6.355 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.479 -7.098 0.108 1.00 0.00 H new ATOM 289 N ALA A 22 -12.598 -1.955 0.638 1.00 0.00 N ATOM 290 CA ALA A 22 -11.548 -1.037 0.964 1.00 0.00 C ATOM 291 C ALA A 22 -11.322 -0.053 -0.157 1.00 0.00 C ATOM 292 O ALA A 22 -11.125 1.141 0.079 1.00 0.00 O ATOM 293 CB ALA A 22 -10.288 -1.800 1.240 1.00 0.00 C ATOM 0 H ALA A 22 -12.274 -2.872 0.331 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.839 -0.475 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.488 -1.103 1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.450 -2.480 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.009 -2.373 0.356 1.00 0.00 H new ATOM 299 N LEU A 23 -11.416 -0.538 -1.393 1.00 0.00 N ATOM 300 CA LEU A 23 -11.140 0.304 -2.562 1.00 0.00 C ATOM 301 C LEU A 23 -12.293 1.277 -2.791 1.00 0.00 C ATOM 302 O LEU A 23 -12.229 2.167 -3.646 1.00 0.00 O ATOM 303 CB LEU A 23 -10.880 -0.519 -3.821 1.00 0.00 C ATOM 304 CG LEU A 23 -9.983 -1.754 -3.659 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.675 -2.400 -4.977 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.714 -1.501 -2.839 1.00 0.00 C ATOM 0 H LEU A 23 -11.678 -1.499 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.229 0.864 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.841 -0.845 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.430 0.134 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.571 -2.459 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.038 -3.270 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.603 -2.714 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.159 -1.687 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.135 -2.422 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.115 -0.731 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.988 -1.170 -1.837 1.00 0.00 H new ATOM 318 N VAL A 24 -13.352 1.069 -2.056 1.00 0.00 N ATOM 319 CA VAL A 24 -14.447 2.011 -1.988 1.00 0.00 C ATOM 320 C VAL A 24 -13.948 3.376 -1.481 1.00 0.00 C ATOM 321 O VAL A 24 -14.242 4.421 -2.064 1.00 0.00 O ATOM 322 CB VAL A 24 -15.542 1.485 -1.022 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.522 2.576 -0.641 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.270 0.320 -1.644 1.00 0.00 C ATOM 0 H VAL A 24 -13.484 0.236 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.863 2.126 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.048 1.151 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.274 2.170 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.989 3.388 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.010 2.957 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.035 -0.040 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.739 0.639 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.562 -0.483 -1.851 1.00 0.00 H new ATOM 334 N ASN A 25 -13.144 3.340 -0.448 1.00 0.00 N ATOM 335 CA ASN A 25 -12.737 4.550 0.250 1.00 0.00 C ATOM 336 C ASN A 25 -11.286 4.887 0.005 1.00 0.00 C ATOM 337 O ASN A 25 -10.675 5.639 0.772 1.00 0.00 O ATOM 338 CB ASN A 25 -13.001 4.382 1.749 1.00 0.00 C ATOM 339 CG ASN A 25 -14.483 4.348 2.087 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.297 5.030 1.468 1.00 0.00 O ATOM 341 ND2 ASN A 25 -14.855 3.526 3.020 1.00 0.00 N ATOM 0 H ASN A 25 -12.751 2.481 -0.063 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.326 5.381 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.533 3.460 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.528 5.202 2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.843 3.434 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.159 2.972 3.518 1.00 0.00 H new ATOM 348 N VAL A 26 -10.730 4.374 -1.061 1.00 0.00 N ATOM 349 CA VAL A 26 -9.319 4.653 -1.345 1.00 0.00 C ATOM 350 C VAL A 26 -9.085 5.907 -2.150 1.00 0.00 C ATOM 351 O VAL A 26 -9.890 6.300 -3.009 1.00 0.00 O ATOM 352 CB VAL A 26 -8.574 3.515 -2.070 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.384 2.325 -1.208 1.00 0.00 C ATOM 354 CG2 VAL A 26 -9.267 3.142 -3.337 1.00 0.00 C ATOM 0 H VAL A 26 -11.203 3.776 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.917 4.774 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.583 3.896 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.854 1.553 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.802 2.602 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.356 1.944 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.720 2.337 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.280 2.808 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.308 4.008 -3.998 1.00 0.00 H new ATOM 364 N GLU A 27 -8.000 6.533 -1.827 1.00 0.00 N ATOM 365 CA GLU A 27 -7.414 7.570 -2.610 1.00 0.00 C ATOM 366 C GLU A 27 -6.227 7.000 -3.309 1.00 0.00 C ATOM 367 O GLU A 27 -5.143 6.895 -2.764 1.00 0.00 O ATOM 368 CB GLU A 27 -6.990 8.762 -1.812 1.00 0.00 C ATOM 369 CG GLU A 27 -6.372 8.445 -0.489 1.00 0.00 C ATOM 370 CD GLU A 27 -7.373 8.102 0.593 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.037 9.002 1.127 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.508 6.933 0.924 1.00 0.00 O ATOM 0 H GLU A 27 -7.477 6.327 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.173 7.925 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.278 9.340 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.859 9.399 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.685 7.608 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.779 9.299 -0.163 1.00 0.00 H new ATOM 379 N TRP A 28 -6.476 6.557 -4.444 1.00 0.00 N ATOM 380 CA TRP A 28 -5.496 5.911 -5.283 1.00 0.00 C ATOM 381 C TRP A 28 -4.228 6.698 -5.494 1.00 0.00 C ATOM 382 O TRP A 28 -4.246 7.850 -5.937 1.00 0.00 O ATOM 383 CB TRP A 28 -6.094 5.486 -6.580 1.00 0.00 C ATOM 384 CG TRP A 28 -6.880 4.244 -6.459 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.185 4.094 -6.658 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.386 2.970 -6.086 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.549 2.799 -6.467 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.459 2.091 -6.108 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.134 2.488 -5.747 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.327 0.766 -5.805 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -5.003 1.168 -5.438 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.094 0.325 -5.471 1.00 0.00 C ATOM 0 H TRP A 28 -7.400 6.617 -4.872 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.186 5.025 -4.728 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.735 6.282 -6.959 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.300 5.340 -7.312 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.861 4.890 -6.933 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.491 2.424 -6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.278 3.146 -5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.174 0.097 -5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.034 0.777 -5.164 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.959 -0.717 -5.223 1.00 0.00 H new ATOM 403 N ASN A 29 -3.135 6.032 -5.142 1.00 0.00 N ATOM 404 CA ASN A 29 -1.762 6.515 -5.236 1.00 0.00 C ATOM 405 C ASN A 29 -1.493 7.575 -4.197 1.00 0.00 C ATOM 406 O ASN A 29 -0.528 8.343 -4.260 1.00 0.00 O ATOM 407 CB ASN A 29 -1.435 6.965 -6.637 1.00 0.00 C ATOM 408 CG ASN A 29 0.035 6.955 -6.914 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.502 5.868 -7.392 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.743 7.945 -6.705 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.186 5.087 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.087 5.687 -5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.940 6.315 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.824 7.972 -6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.330 8.795 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.740 7.912 -6.916 1.00 0.00 H new ATOM 417 N ILE A 30 -2.318 7.581 -3.216 1.00 0.00 N ATOM 418 CA ILE A 30 -2.149 8.452 -2.118 1.00 0.00 C ATOM 419 C ILE A 30 -2.055 7.601 -0.895 1.00 0.00 C ATOM 420 O ILE A 30 -3.037 6.954 -0.522 1.00 0.00 O ATOM 421 CB ILE A 30 -3.319 9.468 -1.939 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.529 10.302 -3.216 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.043 10.385 -0.740 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.591 11.373 -3.106 1.00 0.00 C ATOM 0 H ILE A 30 -3.136 6.975 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.253 9.047 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.234 8.906 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.584 10.774 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.794 9.630 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.866 11.090 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.951 9.784 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.116 10.933 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.668 11.908 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.550 10.912 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.322 12.073 -2.315 1.00 0.00 H new ATOM 436 N CYS A 31 -0.857 7.480 -0.349 1.00 0.00 N ATOM 437 CA CYS A 31 -0.700 6.828 0.929 1.00 0.00 C ATOM 438 C CYS A 31 -1.599 7.479 1.957 1.00 0.00 C ATOM 439 O CYS A 31 -1.354 8.582 2.444 1.00 0.00 O ATOM 440 CB CYS A 31 0.770 6.715 1.396 1.00 0.00 C ATOM 441 SG CYS A 31 1.008 6.302 3.129 1.00 0.00 S ATOM 0 H CYS A 31 0.008 7.822 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.017 5.792 0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.267 5.958 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.269 7.663 1.196 1.00 0.00 H new ATOM 446 N GLN A 32 -2.653 6.773 2.230 1.00 0.00 N ATOM 447 CA GLN A 32 -3.731 7.158 3.140 1.00 0.00 C ATOM 448 C GLN A 32 -3.155 7.435 4.486 1.00 0.00 C ATOM 449 O GLN A 32 -3.573 8.339 5.184 1.00 0.00 O ATOM 450 CB GLN A 32 -4.690 5.991 3.289 1.00 0.00 C ATOM 451 CG GLN A 32 -4.913 5.229 2.033 1.00 0.00 C ATOM 452 CD GLN A 32 -5.959 4.200 2.222 1.00 0.00 C ATOM 453 OE1 GLN A 32 -5.670 3.066 2.589 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.162 4.564 1.978 1.00 0.00 N ATOM 0 H GLN A 32 -2.809 5.857 1.808 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.242 8.037 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.305 5.312 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.648 6.365 3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.208 5.911 1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.983 4.755 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.354 5.519 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.928 3.899 2.087 1.00 0.00 H new ATOM 463 N ASP A 33 -2.157 6.680 4.819 1.00 0.00 N ATOM 464 CA ASP A 33 -1.522 6.795 6.117 1.00 0.00 C ATOM 465 C ASP A 33 -0.726 8.118 6.210 1.00 0.00 C ATOM 466 O ASP A 33 -0.495 8.624 7.285 1.00 0.00 O ATOM 467 CB ASP A 33 -0.644 5.574 6.424 1.00 0.00 C ATOM 468 CG ASP A 33 -0.382 5.394 7.919 1.00 0.00 C ATOM 469 OD1 ASP A 33 0.395 6.136 8.477 1.00 0.00 O ATOM 470 OD2 ASP A 33 -0.986 4.484 8.549 1.00 0.00 O ATOM 0 H ASP A 33 -1.753 5.967 4.212 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.300 6.818 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.127 4.678 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.308 5.676 5.903 1.00 0.00 H new ATOM 475 N CYS A 34 -0.357 8.717 5.043 1.00 0.00 N ATOM 476 CA CYS A 34 0.278 9.987 5.019 1.00 0.00 C ATOM 477 C CYS A 34 -0.726 11.068 5.306 1.00 0.00 C ATOM 478 O CYS A 34 -0.520 11.922 6.136 1.00 0.00 O ATOM 479 CB CYS A 34 0.885 10.250 3.647 1.00 0.00 C ATOM 480 SG CYS A 34 2.578 9.699 3.334 1.00 0.00 S ATOM 0 H CYS A 34 -0.507 8.306 4.122 1.00 0.00 H new ATOM 0 HA CYS A 34 1.062 9.990 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.241 9.780 2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.848 11.325 3.468 1.00 0.00 H new ATOM 485 N LYS A 35 -1.836 10.966 4.658 1.00 0.00 N ATOM 486 CA LYS A 35 -2.831 12.017 4.695 1.00 0.00 C ATOM 487 C LYS A 35 -3.615 12.017 5.972 1.00 0.00 C ATOM 488 O LYS A 35 -4.055 13.057 6.431 1.00 0.00 O ATOM 489 CB LYS A 35 -3.770 11.930 3.519 1.00 0.00 C ATOM 490 CG LYS A 35 -4.429 10.609 3.360 1.00 0.00 C ATOM 491 CD LYS A 35 -5.452 10.632 2.276 1.00 0.00 C ATOM 492 CE LYS A 35 -6.620 11.566 2.595 1.00 0.00 C ATOM 493 NZ LYS A 35 -7.636 11.547 1.529 1.00 0.00 N ATOM 0 H LYS A 35 -2.092 10.161 4.086 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.281 12.956 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.538 12.696 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.216 12.158 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.678 9.852 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.901 10.322 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.983 10.947 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.831 9.623 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.077 11.269 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.249 12.582 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.509 11.995 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.282 12.070 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.835 10.563 1.257 1.00 0.00 H new ATOM 507 N THR A 36 -3.770 10.868 6.561 1.00 0.00 N ATOM 508 CA THR A 36 -4.518 10.773 7.768 1.00 0.00 C ATOM 509 C THR A 36 -3.610 10.994 8.937 1.00 0.00 C ATOM 510 O THR A 36 -4.057 11.028 10.085 1.00 0.00 O ATOM 511 CB THR A 36 -5.228 9.416 7.904 1.00 0.00 C ATOM 512 OG1 THR A 36 -4.275 8.353 7.716 1.00 0.00 O ATOM 513 CG2 THR A 36 -6.352 9.293 6.886 1.00 0.00 C ATOM 0 H THR A 36 -3.386 9.986 6.221 1.00 0.00 H new ATOM 0 HA THR A 36 -5.290 11.542 7.743 1.00 0.00 H new ATOM 0 HB THR A 36 -5.660 9.345 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.201 8.145 6.761 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.841 8.326 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.079 10.089 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.942 9.377 5.879 1.00 0.00 H new ATOM 521 N ASP A 37 -2.326 11.177 8.652 1.00 0.00 N ATOM 522 CA ASP A 37 -1.373 11.367 9.729 1.00 0.00 C ATOM 523 C ASP A 37 -1.447 12.774 10.218 1.00 0.00 C ATOM 524 O ASP A 37 -0.765 13.678 9.740 1.00 0.00 O ATOM 525 CB ASP A 37 0.070 10.983 9.394 1.00 0.00 C ATOM 526 CG ASP A 37 0.900 10.802 10.666 1.00 0.00 C ATOM 527 OD1 ASP A 37 1.389 11.802 11.253 1.00 0.00 O ATOM 528 OD2 ASP A 37 1.050 9.630 11.120 1.00 0.00 O ATOM 0 H ASP A 37 -1.932 11.197 7.711 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.666 10.671 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.079 10.059 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.520 11.755 8.769 1.00 0.00 H new ATOM 533 N ASN A 38 -2.369 12.960 11.100 1.00 0.00 N ATOM 534 CA ASN A 38 -2.607 14.229 11.744 1.00 0.00 C ATOM 535 C ASN A 38 -1.842 14.322 13.029 1.00 0.00 C ATOM 536 O ASN A 38 -2.171 15.119 13.910 1.00 0.00 O ATOM 537 CB ASN A 38 -4.089 14.443 12.014 1.00 0.00 C ATOM 538 CG ASN A 38 -4.891 14.736 10.770 1.00 0.00 C ATOM 539 OD1 ASN A 38 -5.046 15.892 10.385 1.00 0.00 O ATOM 540 ND2 ASN A 38 -5.414 13.716 10.132 1.00 0.00 N ATOM 0 H ASN A 38 -3.001 12.221 11.409 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.263 15.009 11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.494 13.554 12.497 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.207 15.269 12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.968 13.871 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.266 12.768 10.478 1.00 0.00 H new ATOM 547 N LYS A 39 -0.834 13.509 13.158 1.00 0.00 N ATOM 548 CA LYS A 39 0.031 13.576 14.300 1.00 0.00 C ATOM 549 C LYS A 39 0.946 14.744 14.057 1.00 0.00 C ATOM 550 O LYS A 39 1.178 15.584 14.931 1.00 0.00 O ATOM 551 CB LYS A 39 0.830 12.297 14.413 1.00 0.00 C ATOM 552 CG LYS A 39 -0.029 11.053 14.471 1.00 0.00 C ATOM 553 CD LYS A 39 0.809 9.794 14.453 1.00 0.00 C ATOM 554 CE LYS A 39 1.621 9.606 15.731 1.00 0.00 C ATOM 555 NZ LYS A 39 0.757 9.520 16.935 1.00 0.00 N ATOM 0 H LYS A 39 -0.590 12.786 12.481 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.529 13.697 15.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.506 12.223 13.561 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.450 12.343 15.308 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.637 11.073 15.375 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.716 11.045 13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.158 8.931 14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.486 9.826 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.219 8.699 15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.317 10.438 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.304 9.129 17.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.415 10.470 17.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.055 8.901 16.736 1.00 0.00 H new ATOM 569 N VAL A 40 1.430 14.805 12.851 1.00 0.00 N ATOM 570 CA VAL A 40 2.216 15.911 12.398 1.00 0.00 C ATOM 571 C VAL A 40 1.294 17.031 11.922 1.00 0.00 C ATOM 572 O VAL A 40 0.085 16.818 11.727 1.00 0.00 O ATOM 573 CB VAL A 40 3.183 15.502 11.257 1.00 0.00 C ATOM 574 CG1 VAL A 40 4.278 14.593 11.779 1.00 0.00 C ATOM 575 CG2 VAL A 40 2.434 14.824 10.112 1.00 0.00 C ATOM 0 H VAL A 40 1.288 14.080 12.148 1.00 0.00 H new ATOM 0 HA VAL A 40 2.822 16.258 13.235 1.00 0.00 H new ATOM 0 HB VAL A 40 3.641 16.413 10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.944 14.319 10.961 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.846 15.113 12.551 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.833 13.692 12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.140 14.549 9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.937 13.928 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.690 15.510 9.707 1.00 0.00 H new ATOM 585 N LYS A 41 1.834 18.213 11.779 1.00 0.00 N ATOM 586 CA LYS A 41 1.065 19.338 11.290 1.00 0.00 C ATOM 587 C LYS A 41 1.058 19.315 9.780 1.00 0.00 C ATOM 588 O LYS A 41 0.023 19.522 9.141 1.00 0.00 O ATOM 589 CB LYS A 41 1.607 20.654 11.837 1.00 0.00 C ATOM 590 CG LYS A 41 1.487 20.768 13.354 1.00 0.00 C ATOM 591 CD LYS A 41 1.989 22.105 13.893 1.00 0.00 C ATOM 592 CE LYS A 41 3.484 22.303 13.677 1.00 0.00 C ATOM 593 NZ LYS A 41 4.297 21.284 14.375 1.00 0.00 N ATOM 0 H LYS A 41 2.808 18.427 11.994 1.00 0.00 H new ATOM 0 HA LYS A 41 0.037 19.255 11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.655 20.754 11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.070 21.482 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.444 20.635 13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.051 19.960 13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.446 22.915 13.407 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.769 22.168 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.701 22.268 12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.770 23.294 14.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.298 21.565 14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.980 21.204 15.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.185 20.366 13.900 1.00 0.00 H new ATOM 607 N ASP A 42 2.211 19.069 9.222 1.00 0.00 N ATOM 608 CA ASP A 42 2.359 18.824 7.808 1.00 0.00 C ATOM 609 C ASP A 42 3.249 17.647 7.708 1.00 0.00 C ATOM 610 O ASP A 42 4.067 17.414 8.604 1.00 0.00 O ATOM 611 CB ASP A 42 2.989 19.976 7.015 1.00 0.00 C ATOM 612 CG ASP A 42 2.190 21.269 7.022 1.00 0.00 C ATOM 613 OD1 ASP A 42 2.363 22.103 7.935 1.00 0.00 O ATOM 614 OD2 ASP A 42 1.374 21.487 6.102 1.00 0.00 O ATOM 0 H ASP A 42 3.088 19.032 9.741 1.00 0.00 H new ATOM 0 HA ASP A 42 1.367 18.688 7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.981 20.177 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.125 19.655 5.982 1.00 0.00 H new ATOM 619 N LYS A 43 3.119 16.925 6.662 1.00 0.00 N ATOM 620 CA LYS A 43 3.853 15.701 6.497 1.00 0.00 C ATOM 621 C LYS A 43 5.186 16.001 5.864 1.00 0.00 C ATOM 622 O LYS A 43 6.236 15.489 6.288 1.00 0.00 O ATOM 623 CB LYS A 43 3.075 14.691 5.631 1.00 0.00 C ATOM 624 CG LYS A 43 1.673 14.321 6.136 1.00 0.00 C ATOM 625 CD LYS A 43 0.629 15.406 5.864 1.00 0.00 C ATOM 626 CE LYS A 43 -0.747 15.021 6.391 1.00 0.00 C ATOM 627 NZ LYS A 43 -1.776 16.021 6.030 1.00 0.00 N ATOM 0 H LYS A 43 2.501 17.155 5.884 1.00 0.00 H new ATOM 0 HA LYS A 43 4.001 15.253 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.982 15.099 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.665 13.778 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.356 13.393 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.719 14.130 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.947 16.339 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.568 15.589 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.030 14.048 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.705 14.919 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.698 15.722 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.520 16.944 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.835 16.100 4.995 1.00 0.00 H new ATOM 641 N ALA A 44 5.142 16.862 4.884 1.00 0.00 N ATOM 642 CA ALA A 44 6.277 17.266 4.147 1.00 0.00 C ATOM 643 C ALA A 44 6.017 18.637 3.639 1.00 0.00 C ATOM 644 O ALA A 44 5.189 18.832 2.748 1.00 0.00 O ATOM 645 CB ALA A 44 6.541 16.330 2.977 1.00 0.00 C ATOM 0 H ALA A 44 4.278 17.309 4.577 1.00 0.00 H new ATOM 0 HA ALA A 44 7.156 17.242 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.421 16.669 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.713 15.320 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.679 16.329 2.310 1.00 0.00 H new ATOM 651 N GLU A 45 6.639 19.582 4.249 1.00 0.00 N ATOM 652 CA GLU A 45 6.561 20.935 3.817 1.00 0.00 C ATOM 653 C GLU A 45 7.405 21.059 2.569 1.00 0.00 C ATOM 654 O GLU A 45 8.639 21.109 2.644 1.00 0.00 O ATOM 655 CB GLU A 45 7.032 21.835 4.938 1.00 0.00 C ATOM 656 CG GLU A 45 6.095 21.809 6.136 1.00 0.00 C ATOM 657 CD GLU A 45 6.732 22.326 7.390 1.00 0.00 C ATOM 658 OE1 GLU A 45 6.794 23.557 7.586 1.00 0.00 O ATOM 659 OE2 GLU A 45 7.199 21.499 8.204 1.00 0.00 O ATOM 0 H GLU A 45 7.224 19.438 5.072 1.00 0.00 H new ATOM 0 HA GLU A 45 5.542 21.237 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.029 21.527 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.116 22.857 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.211 22.406 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.756 20.787 6.302 1.00 0.00 H new ATOM 666 N GLU A 46 6.706 20.984 1.442 1.00 0.00 N ATOM 667 CA GLU A 46 7.202 20.970 0.116 1.00 0.00 C ATOM 668 C GLU A 46 8.384 21.877 -0.134 1.00 0.00 C ATOM 669 O GLU A 46 8.262 23.103 -0.215 1.00 0.00 O ATOM 670 CB GLU A 46 6.062 21.321 -0.785 1.00 0.00 C ATOM 671 CG GLU A 46 4.960 20.287 -0.812 1.00 0.00 C ATOM 672 CD GLU A 46 3.743 20.775 -1.530 1.00 0.00 C ATOM 673 OE1 GLU A 46 3.767 20.890 -2.773 1.00 0.00 O ATOM 674 OE2 GLU A 46 2.730 21.077 -0.862 1.00 0.00 O ATOM 0 H GLU A 46 5.688 20.927 1.461 1.00 0.00 H new ATOM 0 HA GLU A 46 7.592 19.972 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.643 22.276 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.441 21.459 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.326 19.381 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.693 20.017 0.210 1.00 0.00 H new ATOM 681 N GLU A 47 9.516 21.255 -0.205 1.00 0.00 N ATOM 682 CA GLU A 47 10.726 21.878 -0.537 1.00 0.00 C ATOM 683 C GLU A 47 11.426 20.986 -1.531 1.00 0.00 C ATOM 684 O GLU A 47 11.752 21.397 -2.639 1.00 0.00 O ATOM 685 CB GLU A 47 11.571 22.060 0.701 1.00 0.00 C ATOM 686 CG GLU A 47 12.884 22.716 0.417 1.00 0.00 C ATOM 687 CD GLU A 47 13.631 23.016 1.663 1.00 0.00 C ATOM 688 OE1 GLU A 47 13.343 24.047 2.295 1.00 0.00 O ATOM 689 OE2 GLU A 47 14.507 22.229 2.046 1.00 0.00 O ATOM 0 H GLU A 47 9.611 20.256 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 47 10.553 22.865 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.020 22.659 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.748 21.087 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.485 22.066 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.717 23.639 -0.138 1.00 0.00 H new ATOM 696 N THR A 48 11.660 19.764 -1.134 1.00 0.00 N ATOM 697 CA THR A 48 12.231 18.783 -1.973 1.00 0.00 C ATOM 698 C THR A 48 11.708 17.412 -1.553 1.00 0.00 C ATOM 699 O THR A 48 12.311 16.694 -0.738 1.00 0.00 O ATOM 700 CB THR A 48 13.775 18.817 -1.946 1.00 0.00 C ATOM 701 OG1 THR A 48 14.228 20.144 -2.290 1.00 0.00 O ATOM 702 CG2 THR A 48 14.349 17.832 -2.947 1.00 0.00 C ATOM 0 H THR A 48 11.449 19.430 -0.194 1.00 0.00 H new ATOM 0 HA THR A 48 11.938 18.993 -3.002 1.00 0.00 H new ATOM 0 HB THR A 48 14.111 18.546 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.207 20.170 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.438 17.871 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.014 16.825 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.008 18.091 -3.949 1.00 0.00 H new ATOM 710 N GLU A 49 10.522 17.124 -2.007 1.00 0.00 N ATOM 711 CA GLU A 49 9.908 15.835 -1.786 1.00 0.00 C ATOM 712 C GLU A 49 10.566 14.815 -2.682 1.00 0.00 C ATOM 713 O GLU A 49 11.192 15.171 -3.692 1.00 0.00 O ATOM 714 CB GLU A 49 8.413 15.876 -2.084 1.00 0.00 C ATOM 715 CG GLU A 49 7.595 16.734 -1.143 1.00 0.00 C ATOM 716 CD GLU A 49 6.184 16.879 -1.634 1.00 0.00 C ATOM 717 OE1 GLU A 49 5.961 17.698 -2.542 1.00 0.00 O ATOM 718 OE2 GLU A 49 5.274 16.162 -1.149 1.00 0.00 O ATOM 0 H GLU A 49 9.947 17.774 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 49 10.041 15.565 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.271 16.242 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.024 14.858 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.593 16.289 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.054 17.718 -1.051 1.00 0.00 H new ATOM 725 N GLU A 50 10.415 13.584 -2.352 1.00 0.00 N ATOM 726 CA GLU A 50 10.996 12.532 -3.120 1.00 0.00 C ATOM 727 C GLU A 50 9.925 11.980 -4.045 1.00 0.00 C ATOM 728 O GLU A 50 8.860 12.592 -4.208 1.00 0.00 O ATOM 729 CB GLU A 50 11.561 11.419 -2.191 1.00 0.00 C ATOM 730 CG GLU A 50 10.523 10.570 -1.422 1.00 0.00 C ATOM 731 CD GLU A 50 9.673 11.356 -0.466 1.00 0.00 C ATOM 732 OE1 GLU A 50 10.064 11.529 0.680 1.00 0.00 O ATOM 733 OE2 GLU A 50 8.607 11.837 -0.854 1.00 0.00 O ATOM 0 H GLU A 50 9.884 13.271 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 50 11.832 12.912 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.171 10.747 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.226 11.886 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.874 10.070 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.046 9.790 -0.869 1.00 0.00 H new ATOM 740 N LYS A 51 10.203 10.876 -4.661 1.00 0.00 N ATOM 741 CA LYS A 51 9.237 10.188 -5.438 1.00 0.00 C ATOM 742 C LYS A 51 8.975 8.837 -4.781 1.00 0.00 C ATOM 743 O LYS A 51 9.668 7.839 -5.044 1.00 0.00 O ATOM 744 CB LYS A 51 9.621 10.055 -6.930 1.00 0.00 C ATOM 745 CG LYS A 51 11.015 9.543 -7.229 1.00 0.00 C ATOM 746 CD LYS A 51 12.064 10.625 -7.108 1.00 0.00 C ATOM 747 CE LYS A 51 11.879 11.740 -8.141 1.00 0.00 C ATOM 748 NZ LYS A 51 11.864 11.232 -9.532 1.00 0.00 N ATOM 0 H LYS A 51 11.118 10.426 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 51 8.320 10.777 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.903 9.388 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.509 11.033 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.255 8.730 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.039 9.129 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.026 11.053 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.053 10.183 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.945 12.265 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.683 12.468 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.941 12.030 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.666 10.585 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.974 10.723 -9.706 1.00 0.00 H new ATOM 762 N PRO A 52 8.043 8.808 -3.841 1.00 0.00 N ATOM 763 CA PRO A 52 7.739 7.625 -3.075 1.00 0.00 C ATOM 764 C PRO A 52 6.911 6.637 -3.877 1.00 0.00 C ATOM 765 O PRO A 52 6.213 7.010 -4.840 1.00 0.00 O ATOM 766 CB PRO A 52 6.929 8.189 -1.912 1.00 0.00 C ATOM 767 CG PRO A 52 6.186 9.311 -2.522 1.00 0.00 C ATOM 768 CD PRO A 52 7.175 9.940 -3.449 1.00 0.00 C ATOM 0 HA PRO A 52 8.627 7.071 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.255 7.442 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.573 8.528 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.304 8.961 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.841 10.018 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.686 10.390 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.742 10.730 -2.956 1.00 0.00 H new ATOM 776 N SER A 53 7.043 5.407 -3.545 1.00 0.00 N ATOM 777 CA SER A 53 6.274 4.389 -4.129 1.00 0.00 C ATOM 778 C SER A 53 5.036 4.184 -3.279 1.00 0.00 C ATOM 779 O SER A 53 5.106 4.287 -2.039 1.00 0.00 O ATOM 780 CB SER A 53 7.130 3.137 -4.210 1.00 0.00 C ATOM 781 OG SER A 53 7.794 2.897 -2.962 1.00 0.00 O ATOM 0 H SER A 53 7.706 5.079 -2.843 1.00 0.00 H new ATOM 0 HA SER A 53 5.952 4.645 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.507 2.280 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.867 3.245 -5.005 1.00 0.00 H new ATOM 0 HG SER A 53 8.609 3.439 -2.915 1.00 0.00 H new ATOM 787 N VAL A 54 3.922 3.933 -3.907 1.00 0.00 N ATOM 788 CA VAL A 54 2.706 3.753 -3.158 1.00 0.00 C ATOM 789 C VAL A 54 2.295 2.321 -3.257 1.00 0.00 C ATOM 790 O VAL A 54 2.025 1.809 -4.346 1.00 0.00 O ATOM 791 CB VAL A 54 1.544 4.687 -3.591 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.366 4.498 -2.662 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.978 6.129 -3.557 1.00 0.00 C ATOM 0 H VAL A 54 3.828 3.849 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 54 2.919 4.030 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 54 1.257 4.430 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.448 5.155 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.032 3.461 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.664 4.741 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.148 6.766 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.283 6.393 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.817 6.273 -4.238 1.00 0.00 H new ATOM 803 N TRP A 55 2.314 1.672 -2.154 1.00 0.00 N ATOM 804 CA TRP A 55 1.995 0.297 -2.097 1.00 0.00 C ATOM 805 C TRP A 55 0.653 0.098 -1.437 1.00 0.00 C ATOM 806 O TRP A 55 0.370 0.647 -0.368 1.00 0.00 O ATOM 807 CB TRP A 55 3.103 -0.502 -1.393 1.00 0.00 C ATOM 808 CG TRP A 55 4.476 -0.353 -2.005 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.316 0.697 -1.851 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.174 -1.299 -2.841 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.476 0.485 -2.541 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.419 -0.728 -3.158 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.868 -2.560 -3.358 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.359 -1.375 -3.961 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.798 -3.201 -4.154 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.031 -2.609 -4.447 1.00 0.00 C ATOM 0 H TRP A 55 2.555 2.086 -1.254 1.00 0.00 H new ATOM 0 HA TRP A 55 1.927 -0.086 -3.115 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.150 -0.190 -0.350 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.830 -1.557 -1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.100 1.578 -1.265 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.262 1.134 -2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.919 -3.027 -3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.310 -0.917 -4.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.569 -4.176 -4.557 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.738 -3.138 -5.070 1.00 0.00 H new ATOM 827 N LEU A 56 -0.168 -0.642 -2.105 1.00 0.00 N ATOM 828 CA LEU A 56 -1.474 -0.958 -1.627 1.00 0.00 C ATOM 829 C LEU A 56 -1.502 -2.369 -1.078 1.00 0.00 C ATOM 830 O LEU A 56 -1.198 -3.319 -1.793 1.00 0.00 O ATOM 831 CB LEU A 56 -2.513 -0.834 -2.727 1.00 0.00 C ATOM 832 CG LEU A 56 -3.925 -1.224 -2.305 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.814 -0.021 -2.093 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.518 -2.210 -3.260 1.00 0.00 C ATOM 0 H LEU A 56 0.053 -1.051 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.715 -0.246 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.525 0.196 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.212 -1.460 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.851 -1.715 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.809 -0.352 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.391 0.611 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.884 0.547 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.525 -2.471 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.561 -1.771 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.901 -3.108 -3.285 1.00 0.00 H new ATOM 846 N CYS A 57 -1.863 -2.479 0.173 1.00 0.00 N ATOM 847 CA CYS A 57 -2.009 -3.730 0.880 1.00 0.00 C ATOM 848 C CYS A 57 -3.078 -4.573 0.182 1.00 0.00 C ATOM 849 O CYS A 57 -4.243 -4.223 0.210 1.00 0.00 O ATOM 850 CB CYS A 57 -2.456 -3.392 2.326 1.00 0.00 C ATOM 851 SG CYS A 57 -2.430 -4.746 3.558 1.00 0.00 S ATOM 0 H CYS A 57 -2.073 -1.667 0.754 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.075 -4.292 0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.819 -2.589 2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.471 -2.998 2.281 1.00 0.00 H new ATOM 856 N LEU A 58 -2.680 -5.692 -0.408 1.00 0.00 N ATOM 857 CA LEU A 58 -3.579 -6.607 -1.132 1.00 0.00 C ATOM 858 C LEU A 58 -4.450 -7.354 -0.170 1.00 0.00 C ATOM 859 O LEU A 58 -5.329 -8.132 -0.531 1.00 0.00 O ATOM 860 CB LEU A 58 -2.704 -7.549 -1.913 1.00 0.00 C ATOM 861 CG LEU A 58 -2.114 -6.942 -3.165 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.809 -7.585 -3.509 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.074 -7.163 -4.296 1.00 0.00 C ATOM 0 H LEU A 58 -1.709 -6.003 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.243 -6.059 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.893 -7.893 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.287 -8.428 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.943 -5.879 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.406 -7.130 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.106 -7.444 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.962 -8.651 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.665 -6.731 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.229 -8.233 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.026 -6.686 -4.064 1.00 0.00 H new ATOM 875 N LYS A 59 -4.150 -7.135 1.047 1.00 0.00 N ATOM 876 CA LYS A 59 -4.876 -7.660 2.120 1.00 0.00 C ATOM 877 C LYS A 59 -6.042 -6.745 2.540 1.00 0.00 C ATOM 878 O LYS A 59 -7.154 -7.221 2.736 1.00 0.00 O ATOM 879 CB LYS A 59 -3.939 -7.939 3.290 1.00 0.00 C ATOM 880 CG LYS A 59 -4.649 -8.433 4.505 1.00 0.00 C ATOM 881 CD LYS A 59 -5.431 -9.691 4.185 1.00 0.00 C ATOM 882 CE LYS A 59 -5.941 -10.412 5.412 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.916 -9.625 6.211 1.00 0.00 N ATOM 0 H LYS A 59 -3.357 -6.560 1.331 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.326 -8.598 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.197 -8.677 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.397 -7.027 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.929 -8.637 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.324 -7.663 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.277 -9.432 3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.797 -10.368 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.409 -11.347 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.094 -10.674 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.396 -10.252 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.415 -8.875 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.620 -9.197 5.576 1.00 0.00 H new ATOM 897 N CYS A 60 -5.800 -5.452 2.690 1.00 0.00 N ATOM 898 CA CYS A 60 -6.877 -4.590 3.193 1.00 0.00 C ATOM 899 C CYS A 60 -7.090 -3.304 2.404 1.00 0.00 C ATOM 900 O CYS A 60 -7.829 -2.440 2.850 1.00 0.00 O ATOM 901 CB CYS A 60 -6.628 -4.240 4.632 1.00 0.00 C ATOM 902 SG CYS A 60 -5.339 -3.010 4.853 1.00 0.00 S ATOM 0 H CYS A 60 -4.916 -4.986 2.485 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.788 -5.177 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.553 -3.870 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.355 -5.144 5.176 1.00 0.00 H new ATOM 907 N GLY A 61 -6.427 -3.158 1.301 1.00 0.00 N ATOM 908 CA GLY A 61 -6.606 -1.971 0.466 1.00 0.00 C ATOM 909 C GLY A 61 -6.005 -0.705 1.079 1.00 0.00 C ATOM 910 O GLY A 61 -6.404 0.401 0.747 1.00 0.00 O ATOM 0 H GLY A 61 -5.753 -3.834 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.149 -2.148 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.671 -1.813 0.294 1.00 0.00 H new ATOM 914 N HIS A 62 -5.098 -0.884 2.000 1.00 0.00 N ATOM 915 CA HIS A 62 -4.395 0.235 2.619 1.00 0.00 C ATOM 916 C HIS A 62 -3.224 0.688 1.765 1.00 0.00 C ATOM 917 O HIS A 62 -2.375 -0.105 1.409 1.00 0.00 O ATOM 918 CB HIS A 62 -3.897 -0.134 4.018 1.00 0.00 C ATOM 919 CG HIS A 62 -3.134 0.959 4.699 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.759 0.985 4.808 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.577 2.073 5.300 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.421 2.090 5.460 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.494 2.790 5.780 1.00 0.00 N ATOM 0 H HIS A 62 -4.818 -1.800 2.350 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.107 1.056 2.703 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.752 -0.407 4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.261 -1.017 3.946 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.116 0.279 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.613 2.364 5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.407 2.378 5.697 1.00 0.00 H new ATOM 931 N GLN A 63 -3.186 1.956 1.475 1.00 0.00 N ATOM 932 CA GLN A 63 -2.098 2.539 0.721 1.00 0.00 C ATOM 933 C GLN A 63 -1.078 3.186 1.623 1.00 0.00 C ATOM 934 O GLN A 63 -1.401 4.070 2.433 1.00 0.00 O ATOM 935 CB GLN A 63 -2.611 3.518 -0.281 1.00 0.00 C ATOM 936 CG GLN A 63 -2.817 2.941 -1.653 1.00 0.00 C ATOM 937 CD GLN A 63 -3.742 3.773 -2.499 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.590 3.844 -3.675 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.738 4.374 -1.924 1.00 0.00 N ATOM 0 H GLN A 63 -3.907 2.622 1.752 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.600 1.729 0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.557 3.925 0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.911 4.351 -0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.853 2.853 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.222 1.933 -1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.860 4.307 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.399 4.914 -2.483 1.00 0.00 H new ATOM 948 N GLY A 64 0.118 2.732 1.489 1.00 0.00 N ATOM 949 CA GLY A 64 1.198 3.206 2.227 1.00 0.00 C ATOM 950 C GLY A 64 2.369 3.447 1.348 1.00 0.00 C ATOM 951 O GLY A 64 2.524 2.823 0.317 1.00 0.00 O ATOM 0 H GLY A 64 0.364 1.991 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.921 4.131 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.460 2.485 3.001 1.00 0.00 H new ATOM 955 N CYS A 65 3.164 4.365 1.747 1.00 0.00 N ATOM 956 CA CYS A 65 4.317 4.738 1.015 1.00 0.00 C ATOM 957 C CYS A 65 5.459 3.779 1.375 1.00 0.00 C ATOM 958 O CYS A 65 5.655 3.464 2.566 1.00 0.00 O ATOM 959 CB CYS A 65 4.617 6.204 1.299 1.00 0.00 C ATOM 960 SG CYS A 65 4.766 6.608 3.054 1.00 0.00 S ATOM 0 H CYS A 65 3.031 4.891 2.610 1.00 0.00 H new ATOM 0 HA CYS A 65 4.171 4.653 -0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.545 6.477 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.826 6.815 0.864 1.00 0.00 H new ATOM 965 N GLY A 66 6.149 3.290 0.363 1.00 0.00 N ATOM 966 CA GLY A 66 7.150 2.251 0.537 1.00 0.00 C ATOM 967 C GLY A 66 8.509 2.717 1.019 1.00 0.00 C ATOM 968 O GLY A 66 8.660 3.816 1.527 1.00 0.00 O ATOM 0 H GLY A 66 6.033 3.600 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.766 1.518 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.280 1.736 -0.415 1.00 0.00 H new ATOM 972 N ARG A 67 9.490 1.855 0.824 1.00 0.00 N ATOM 973 CA ARG A 67 10.873 2.029 1.274 1.00 0.00 C ATOM 974 C ARG A 67 11.493 3.372 0.884 1.00 0.00 C ATOM 975 O ARG A 67 12.107 4.036 1.702 1.00 0.00 O ATOM 976 CB ARG A 67 11.736 0.855 0.759 1.00 0.00 C ATOM 977 CG ARG A 67 13.231 1.087 0.845 1.00 0.00 C ATOM 978 CD ARG A 67 14.021 -0.109 0.340 1.00 0.00 C ATOM 979 NE ARG A 67 15.466 0.113 0.462 1.00 0.00 N ATOM 980 CZ ARG A 67 16.366 -0.086 -0.512 1.00 0.00 C ATOM 981 NH1 ARG A 67 16.002 -0.624 -1.675 1.00 0.00 N ATOM 982 NH2 ARG A 67 17.642 0.213 -0.297 1.00 0.00 N ATOM 0 H ARG A 67 9.346 0.975 0.328 1.00 0.00 H new ATOM 0 HA ARG A 67 10.849 2.030 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.487 -0.040 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.472 0.655 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.495 1.969 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.507 1.294 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.739 -0.998 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.768 -0.300 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 67 15.815 0.446 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.030 -0.889 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.696 -0.771 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.932 0.591 0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.332 0.064 -1.033 1.00 0.00 H new ATOM 996 N ASN A 68 11.292 3.782 -0.325 1.00 0.00 N ATOM 997 CA ASN A 68 11.933 4.993 -0.849 1.00 0.00 C ATOM 998 C ASN A 68 11.195 6.288 -0.551 1.00 0.00 C ATOM 999 O ASN A 68 11.400 7.304 -1.223 1.00 0.00 O ATOM 1000 CB ASN A 68 12.170 4.880 -2.324 1.00 0.00 C ATOM 1001 CG ASN A 68 10.971 4.410 -3.122 1.00 0.00 C ATOM 1002 OD1 ASN A 68 9.817 4.713 -2.803 1.00 0.00 O ATOM 1003 ND2 ASN A 68 11.230 3.631 -4.131 1.00 0.00 N ATOM 0 H ASN A 68 10.686 3.306 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 68 12.881 5.054 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.484 5.852 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.996 4.190 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.467 3.248 -4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.196 3.403 -4.364 1.00 0.00 H new ATOM 1010 N SER A 69 10.395 6.267 0.435 1.00 0.00 N ATOM 1011 CA SER A 69 9.683 7.440 0.850 1.00 0.00 C ATOM 1012 C SER A 69 10.326 7.982 2.122 1.00 0.00 C ATOM 1013 O SER A 69 11.253 7.353 2.675 1.00 0.00 O ATOM 1014 CB SER A 69 8.220 7.110 1.111 1.00 0.00 C ATOM 1015 OG SER A 69 8.069 6.230 2.201 1.00 0.00 O ATOM 0 H SER A 69 10.201 5.436 0.994 1.00 0.00 H new ATOM 0 HA SER A 69 9.730 8.190 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.669 8.030 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.784 6.662 0.218 1.00 0.00 H new ATOM 0 HG SER A 69 8.013 5.309 1.872 1.00 0.00 H new ATOM 1021 N GLN A 70 9.871 9.126 2.577 1.00 0.00 N ATOM 1022 CA GLN A 70 10.339 9.696 3.822 1.00 0.00 C ATOM 1023 C GLN A 70 9.600 9.045 4.987 1.00 0.00 C ATOM 1024 O GLN A 70 10.148 8.861 6.076 1.00 0.00 O ATOM 1025 CB GLN A 70 10.076 11.206 3.830 1.00 0.00 C ATOM 1026 CG GLN A 70 10.661 11.944 5.024 1.00 0.00 C ATOM 1027 CD GLN A 70 10.384 13.440 5.005 1.00 0.00 C ATOM 1028 OE1 GLN A 70 10.260 14.017 3.840 1.00 0.00 O flip ATOM 1029 NE2 GLN A 70 10.283 14.073 6.047 1.00 0.00 N flip ATOM 0 H GLN A 70 9.168 9.688 2.097 1.00 0.00 H new ATOM 0 HA GLN A 70 11.409 9.516 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.485 11.638 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.999 11.374 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.253 11.518 5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.739 11.782 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.384 13.598 6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.098 15.076 6.019 1.00 0.00 H new ATOM 1038 N GLU A 71 8.371 8.649 4.722 1.00 0.00 N ATOM 1039 CA GLU A 71 7.490 8.185 5.767 1.00 0.00 C ATOM 1040 C GLU A 71 7.497 6.676 5.968 1.00 0.00 C ATOM 1041 O GLU A 71 7.367 6.214 7.099 1.00 0.00 O ATOM 1042 CB GLU A 71 6.085 8.659 5.473 1.00 0.00 C ATOM 1043 CG GLU A 71 5.891 10.150 5.628 1.00 0.00 C ATOM 1044 CD GLU A 71 6.080 10.573 7.059 1.00 0.00 C ATOM 1045 OE1 GLU A 71 5.218 10.238 7.888 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.103 11.187 7.385 1.00 0.00 O ATOM 0 H GLU A 71 7.962 8.641 3.788 1.00 0.00 H new ATOM 0 HA GLU A 71 7.863 8.608 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.823 8.373 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.392 8.142 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.600 10.680 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.892 10.427 5.292 1.00 0.00 H new ATOM 1053 N GLN A 72 7.651 5.920 4.887 1.00 0.00 N ATOM 1054 CA GLN A 72 7.705 4.441 4.926 1.00 0.00 C ATOM 1055 C GLN A 72 6.546 3.799 5.714 1.00 0.00 C ATOM 1056 O GLN A 72 6.712 2.770 6.351 1.00 0.00 O ATOM 1057 CB GLN A 72 9.059 3.971 5.445 1.00 0.00 C ATOM 1058 CG GLN A 72 10.175 4.284 4.500 1.00 0.00 C ATOM 1059 CD GLN A 72 11.454 3.801 4.981 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.754 2.634 4.655 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 12.184 4.505 5.681 1.00 0.00 N flip ATOM 0 H GLN A 72 7.744 6.306 3.948 1.00 0.00 H new ATOM 0 HA GLN A 72 7.581 4.100 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.259 4.442 6.407 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.025 2.895 5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.962 3.837 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.229 5.362 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.898 5.454 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.074 4.139 6.019 1.00 0.00 H new ATOM 1070 N HIS A 73 5.361 4.394 5.610 1.00 0.00 N ATOM 1071 CA HIS A 73 4.194 3.938 6.273 1.00 0.00 C ATOM 1072 C HIS A 73 3.817 2.493 5.913 1.00 0.00 C ATOM 1073 O HIS A 73 3.250 1.791 6.726 1.00 0.00 O ATOM 1074 CB HIS A 73 3.061 4.872 5.966 1.00 0.00 C ATOM 1075 CG HIS A 73 3.117 6.231 6.623 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.928 7.354 5.893 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.235 6.576 7.931 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.914 8.345 6.725 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.101 7.932 7.985 1.00 0.00 N ATOM 0 H HIS A 73 5.206 5.227 5.042 1.00 0.00 H new ATOM 0 HA HIS A 73 4.403 3.934 7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.019 5.015 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.130 4.388 6.260 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.402 5.909 8.764 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.770 9.376 6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.136 8.516 8.820 1.00 0.00 H new ATOM 1087 N ALA A 74 4.158 2.059 4.701 1.00 0.00 N ATOM 1088 CA ALA A 74 3.892 0.674 4.280 1.00 0.00 C ATOM 1089 C ALA A 74 4.688 -0.291 5.158 1.00 0.00 C ATOM 1090 O ALA A 74 4.204 -1.365 5.553 1.00 0.00 O ATOM 1091 CB ALA A 74 4.255 0.481 2.815 1.00 0.00 C ATOM 0 H ALA A 74 4.615 2.636 3.995 1.00 0.00 H new ATOM 0 HA ALA A 74 2.828 0.467 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.051 -0.549 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.660 1.157 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.314 0.697 2.671 1.00 0.00 H new ATOM 1097 N LEU A 75 5.865 0.152 5.546 1.00 0.00 N ATOM 1098 CA LEU A 75 6.741 -0.623 6.380 1.00 0.00 C ATOM 1099 C LEU A 75 6.133 -0.707 7.763 1.00 0.00 C ATOM 1100 O LEU A 75 6.008 -1.791 8.308 1.00 0.00 O ATOM 1101 CB LEU A 75 8.175 -0.042 6.421 1.00 0.00 C ATOM 1102 CG LEU A 75 9.030 -0.105 5.121 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.270 -1.529 4.694 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.421 0.681 3.970 1.00 0.00 C ATOM 0 H LEU A 75 6.237 1.066 5.287 1.00 0.00 H new ATOM 0 HA LEU A 75 6.840 -1.624 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.103 1.003 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.723 -0.563 7.206 1.00 0.00 H new ATOM 0 HG LEU A 75 9.983 0.363 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.870 -1.540 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.800 -2.061 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.314 -2.018 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.063 0.598 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.435 0.280 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.328 1.729 4.254 1.00 0.00 H new ATOM 1116 N LYS A 76 5.730 0.440 8.328 1.00 0.00 N ATOM 1117 CA LYS A 76 4.999 0.470 9.606 1.00 0.00 C ATOM 1118 C LYS A 76 3.761 -0.414 9.569 1.00 0.00 C ATOM 1119 O LYS A 76 3.416 -1.059 10.562 1.00 0.00 O ATOM 1120 CB LYS A 76 4.527 1.869 9.907 1.00 0.00 C ATOM 1121 CG LYS A 76 5.606 2.910 9.925 1.00 0.00 C ATOM 1122 CD LYS A 76 5.002 4.284 10.102 1.00 0.00 C ATOM 1123 CE LYS A 76 4.353 4.456 11.481 1.00 0.00 C ATOM 1124 NZ LYS A 76 3.649 5.749 11.627 1.00 0.00 N ATOM 0 H LYS A 76 5.897 1.360 7.921 1.00 0.00 H new ATOM 0 HA LYS A 76 5.692 0.111 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.781 2.153 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.028 1.868 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.306 2.705 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.174 2.871 8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.776 5.040 9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.255 4.454 9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.647 3.642 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.120 4.377 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.230 5.811 12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.324 6.529 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.897 5.817 10.912 1.00 0.00 H new ATOM 1138 N HIS A 77 3.106 -0.459 8.432 1.00 0.00 N ATOM 1139 CA HIS A 77 1.878 -1.217 8.296 1.00 0.00 C ATOM 1140 C HIS A 77 2.188 -2.694 8.344 1.00 0.00 C ATOM 1141 O HIS A 77 1.420 -3.480 8.896 1.00 0.00 O ATOM 1142 CB HIS A 77 1.127 -0.823 7.038 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.259 -1.392 6.913 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.362 -0.798 7.465 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.715 -2.496 6.252 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.436 -1.525 7.142 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.099 -2.570 6.400 1.00 0.00 N ATOM 0 H HIS A 77 3.403 0.022 7.583 1.00 0.00 H new ATOM 0 HA HIS A 77 1.217 -0.985 9.131 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.060 0.264 7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.711 -1.137 6.173 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.364 0.053 8.027 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.103 -3.197 5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.446 -1.292 7.446 1.00 0.00 H new ATOM 1155 N TYR A 78 3.302 -3.073 7.802 1.00 0.00 N ATOM 1156 CA TYR A 78 3.732 -4.439 7.934 1.00 0.00 C ATOM 1157 C TYR A 78 4.203 -4.718 9.348 1.00 0.00 C ATOM 1158 O TYR A 78 3.927 -5.786 9.912 1.00 0.00 O ATOM 1159 CB TYR A 78 4.817 -4.771 6.941 1.00 0.00 C ATOM 1160 CG TYR A 78 5.472 -6.121 7.182 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.752 -7.308 7.064 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.808 -6.201 7.543 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.353 -8.530 7.304 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.413 -7.414 7.779 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.687 -8.573 7.658 1.00 0.00 C ATOM 1166 OH TYR A 78 7.290 -9.778 7.912 1.00 0.00 O ATOM 0 H TYR A 78 3.927 -2.469 7.269 1.00 0.00 H new ATOM 0 HA TYR A 78 2.875 -5.078 7.721 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.395 -4.756 5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.581 -3.994 6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.710 -7.273 6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.385 -5.293 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.784 -9.443 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.455 -7.454 8.058 1.00 0.00 H new ATOM 0 HH TYR A 78 8.230 -9.630 8.146 1.00 0.00 H new ATOM 1176 N LEU A 79 4.879 -3.754 9.946 1.00 0.00 N ATOM 1177 CA LEU A 79 5.425 -3.914 11.274 1.00 0.00 C ATOM 1178 C LEU A 79 4.363 -3.712 12.321 1.00 0.00 C ATOM 1179 O LEU A 79 4.649 -3.755 13.517 1.00 0.00 O ATOM 1180 CB LEU A 79 6.591 -2.947 11.494 1.00 0.00 C ATOM 1181 CG LEU A 79 7.725 -3.054 10.476 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.866 -2.120 10.816 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.199 -4.483 10.366 1.00 0.00 C ATOM 0 H LEU A 79 5.062 -2.844 9.524 1.00 0.00 H new ATOM 0 HA LEU A 79 5.799 -4.934 11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.205 -1.928 11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.001 -3.117 12.490 1.00 0.00 H new ATOM 0 HG LEU A 79 7.338 -2.746 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.655 -2.223 10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.505 -1.092 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.261 -2.372 11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.007 -4.543 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.560 -4.822 11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.372 -5.117 10.045 1.00 0.00 H new ATOM 1195 N THR A 80 3.146 -3.452 11.871 1.00 0.00 N ATOM 1196 CA THR A 80 2.015 -3.394 12.779 1.00 0.00 C ATOM 1197 C THR A 80 1.872 -4.773 13.460 1.00 0.00 C ATOM 1198 O THR A 80 1.686 -5.779 12.785 1.00 0.00 O ATOM 1199 CB THR A 80 0.704 -3.052 12.034 1.00 0.00 C ATOM 1200 OG1 THR A 80 0.841 -1.793 11.352 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.467 -2.969 13.009 1.00 0.00 C ATOM 0 H THR A 80 2.918 -3.279 10.892 1.00 0.00 H new ATOM 0 HA THR A 80 2.193 -2.609 13.514 1.00 0.00 H new ATOM 0 HB THR A 80 0.508 -3.844 11.311 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.787 -1.629 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.379 -2.727 12.463 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.589 -3.928 13.513 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.270 -2.193 13.748 1.00 0.00 H new ATOM 1209 N PRO A 81 1.969 -4.837 14.800 1.00 0.00 N ATOM 1210 CA PRO A 81 1.937 -6.102 15.545 1.00 0.00 C ATOM 1211 C PRO A 81 0.540 -6.652 15.714 1.00 0.00 C ATOM 1212 O PRO A 81 0.041 -6.883 16.822 1.00 0.00 O ATOM 1213 CB PRO A 81 2.513 -5.725 16.864 1.00 0.00 C ATOM 1214 CG PRO A 81 2.111 -4.309 17.063 1.00 0.00 C ATOM 1215 CD PRO A 81 2.118 -3.680 15.704 1.00 0.00 C ATOM 0 HA PRO A 81 2.480 -6.893 15.028 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.127 -6.361 17.660 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.598 -5.832 16.867 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.122 -4.245 17.517 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.803 -3.798 17.732 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.302 -2.968 15.585 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.044 -3.138 15.515 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.051 -6.858 14.636 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.377 -7.414 14.565 1.00 0.00 C ATOM 1225 C ARG A 82 -1.286 -8.921 14.331 1.00 0.00 C ATOM 1226 O ARG A 82 -0.195 -9.447 14.088 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.200 -6.743 13.470 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.654 -6.923 12.072 1.00 0.00 C ATOM 1229 CD ARG A 82 -2.647 -6.440 11.038 1.00 0.00 C ATOM 1230 NE ARG A 82 -2.892 -4.996 11.122 1.00 0.00 N ATOM 1231 CZ ARG A 82 -4.050 -4.413 11.472 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -5.069 -5.157 11.911 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -4.174 -3.081 11.397 1.00 0.00 N ATOM 0 H ARG A 82 0.357 -6.649 13.725 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.885 -7.229 15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.215 -7.138 13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.266 -5.677 13.685 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.719 -6.373 11.969 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.426 -7.975 11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.277 -6.685 10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.589 -6.973 11.168 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.112 -4.379 10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.968 -6.170 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.948 -4.712 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.390 -2.513 11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.052 -2.635 11.662 1.00 0.00 H new ATOM 1247 N SER A 83 -2.403 -9.602 14.407 1.00 0.00 N ATOM 1248 CA SER A 83 -2.431 -11.035 14.240 1.00 0.00 C ATOM 1249 C SER A 83 -2.327 -11.441 12.767 1.00 0.00 C ATOM 1250 O SER A 83 -1.535 -12.332 12.419 1.00 0.00 O ATOM 1251 CB SER A 83 -3.676 -11.587 14.895 1.00 0.00 C ATOM 1252 OG SER A 83 -3.704 -11.183 16.254 1.00 0.00 O ATOM 0 H SER A 83 -3.315 -9.181 14.586 1.00 0.00 H new ATOM 0 HA SER A 83 -1.557 -11.465 14.730 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.565 -11.226 14.377 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.686 -12.675 14.826 1.00 0.00 H new ATOM 0 HG SER A 83 -4.511 -11.537 16.684 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.087 -10.779 11.904 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.008 -11.066 10.485 1.00 0.00 C ATOM 1260 C GLU A 84 -1.707 -10.487 9.949 1.00 0.00 C ATOM 1261 O GLU A 84 -1.222 -9.491 10.469 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.160 -10.452 9.715 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.552 -10.882 10.121 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.566 -10.281 9.186 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.597 -9.038 9.043 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.319 -11.033 8.515 1.00 0.00 O ATOM 0 H GLU A 84 -3.754 -10.051 12.160 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.052 -12.147 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.096 -9.368 9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.026 -10.685 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.626 -11.969 10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.756 -10.566 11.144 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.123 -11.077 8.912 1.00 0.00 N ATOM 1274 CA PRO A 85 0.142 -10.605 8.400 1.00 0.00 C ATOM 1275 C PRO A 85 0.047 -9.278 7.619 1.00 0.00 C ATOM 1276 O PRO A 85 0.838 -8.369 7.866 1.00 0.00 O ATOM 1277 CB PRO A 85 0.632 -11.748 7.518 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.588 -12.512 7.130 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.621 -12.265 8.191 1.00 0.00 C ATOM 0 HA PRO A 85 0.828 -10.364 9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.152 -11.368 6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.337 -12.383 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.952 -12.187 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.366 -13.576 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.604 -12.084 7.756 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.721 -13.122 8.857 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.942 -9.167 6.682 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.103 -7.958 5.817 1.00 0.00 C ATOM 1289 C HIS A 86 0.181 -7.670 5.085 1.00 0.00 C ATOM 1290 O HIS A 86 0.515 -6.528 4.821 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.511 -6.716 6.636 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.923 -6.718 7.086 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.778 -5.690 6.765 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.578 -7.635 7.831 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.936 -6.010 7.339 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.852 -7.188 7.993 1.00 0.00 N ATOM 0 H HIS A 86 -1.635 -9.895 6.508 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.899 -8.173 5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.864 -6.643 7.510 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.335 -5.825 6.034 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.166 -8.553 8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.829 -5.404 7.288 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.599 -7.653 8.509 1.00 0.00 H new ATOM 1304 N CYS A 87 0.811 -8.716 4.652 1.00 0.00 N ATOM 1305 CA CYS A 87 2.175 -8.602 4.155 1.00 0.00 C ATOM 1306 C CYS A 87 2.264 -8.497 2.667 1.00 0.00 C ATOM 1307 O CYS A 87 3.346 -8.669 2.084 1.00 0.00 O ATOM 1308 CB CYS A 87 2.984 -9.789 4.629 1.00 0.00 C ATOM 1309 SG CYS A 87 2.129 -11.381 4.481 1.00 0.00 S ATOM 0 H CYS A 87 0.420 -9.658 4.626 1.00 0.00 H new ATOM 0 HA CYS A 87 2.577 -7.671 4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.911 -9.833 4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.259 -9.633 5.672 1.00 0.00 H new ATOM 0 HG CYS A 87 2.542 -11.998 3.414 1.00 0.00 H new ATOM 1315 N LEU A 88 1.159 -8.223 2.068 1.00 0.00 N ATOM 1316 CA LEU A 88 1.057 -8.139 0.649 1.00 0.00 C ATOM 1317 C LEU A 88 0.649 -6.814 0.253 1.00 0.00 C ATOM 1318 O LEU A 88 -0.371 -6.316 0.692 1.00 0.00 O ATOM 1319 CB LEU A 88 0.180 -9.227 0.072 1.00 0.00 C ATOM 1320 CG LEU A 88 0.900 -10.515 -0.045 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.019 -11.654 -0.414 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.032 -10.428 -1.019 1.00 0.00 C ATOM 0 H LEU A 88 0.282 -8.047 2.558 1.00 0.00 H new ATOM 0 HA LEU A 88 2.046 -8.314 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.698 -9.359 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.178 -8.921 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 88 1.292 -10.712 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.612 -12.566 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.752 -11.779 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.450 -11.454 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.536 -11.392 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.646 -10.160 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.740 -9.668 -0.688 1.00 0.00 H new ATOM 1334 N VAL A 89 1.483 -6.216 -0.531 1.00 0.00 N ATOM 1335 CA VAL A 89 1.245 -4.914 -1.049 1.00 0.00 C ATOM 1336 C VAL A 89 1.625 -4.912 -2.513 1.00 0.00 C ATOM 1337 O VAL A 89 2.529 -5.631 -2.919 1.00 0.00 O ATOM 1338 CB VAL A 89 2.070 -3.818 -0.306 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.725 -3.742 1.164 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.555 -4.035 -0.480 1.00 0.00 C ATOM 0 H VAL A 89 2.365 -6.628 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 89 0.190 -4.678 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 89 1.800 -2.866 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.324 -2.965 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.667 -3.504 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.934 -4.702 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.101 -3.255 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.830 -5.009 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.806 -3.998 -1.540 1.00 0.00 H new ATOM 1350 N LEU A 90 0.909 -4.207 -3.304 1.00 0.00 N ATOM 1351 CA LEU A 90 1.259 -4.075 -4.679 1.00 0.00 C ATOM 1352 C LEU A 90 1.675 -2.649 -4.915 1.00 0.00 C ATOM 1353 O LEU A 90 1.201 -1.744 -4.234 1.00 0.00 O ATOM 1354 CB LEU A 90 0.073 -4.509 -5.583 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.058 -3.515 -5.784 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.756 -2.607 -6.944 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.389 -4.198 -5.980 1.00 0.00 C ATOM 0 H LEU A 90 0.066 -3.704 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 90 2.092 -4.730 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.474 -4.765 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.352 -5.421 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.133 -2.920 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.575 -1.900 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.167 -2.061 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.640 -3.201 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.166 -3.447 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.343 -4.840 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.621 -4.801 -5.102 1.00 0.00 H new ATOM 1369 N SER A 91 2.535 -2.443 -5.837 1.00 0.00 N ATOM 1370 CA SER A 91 3.040 -1.134 -6.103 1.00 0.00 C ATOM 1371 C SER A 91 2.164 -0.445 -7.138 1.00 0.00 C ATOM 1372 O SER A 91 1.794 -1.055 -8.140 1.00 0.00 O ATOM 1373 CB SER A 91 4.443 -1.266 -6.669 1.00 0.00 C ATOM 1374 OG SER A 91 4.382 -1.756 -7.975 1.00 0.00 O ATOM 0 H SER A 91 2.917 -3.174 -6.437 1.00 0.00 H new ATOM 0 HA SER A 91 3.046 -0.550 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.942 -0.297 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.035 -1.937 -6.046 1.00 0.00 H new ATOM 0 HG SER A 91 5.281 -1.763 -8.364 1.00 0.00 H new ATOM 1380 N LEU A 92 1.895 0.797 -6.939 1.00 0.00 N ATOM 1381 CA LEU A 92 1.153 1.600 -7.895 1.00 0.00 C ATOM 1382 C LEU A 92 2.117 2.304 -8.826 1.00 0.00 C ATOM 1383 O LEU A 92 1.762 3.237 -9.541 1.00 0.00 O ATOM 1384 CB LEU A 92 0.329 2.600 -7.131 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.816 1.995 -6.353 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.277 2.933 -5.308 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.954 1.722 -7.280 1.00 0.00 C ATOM 0 H LEU A 92 2.180 1.307 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 92 0.498 0.970 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.979 3.137 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.070 3.335 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.473 1.071 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.102 2.485 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.456 3.148 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.613 3.860 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.782 1.285 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.279 2.655 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.633 1.027 -8.055 1.00 0.00 H new ATOM 1399 N ASP A 93 3.322 1.814 -8.828 1.00 0.00 N ATOM 1400 CA ASP A 93 4.401 2.389 -9.583 1.00 0.00 C ATOM 1401 C ASP A 93 4.773 1.471 -10.724 1.00 0.00 C ATOM 1402 O ASP A 93 4.672 1.836 -11.900 1.00 0.00 O ATOM 1403 CB ASP A 93 5.617 2.621 -8.668 1.00 0.00 C ATOM 1404 CG ASP A 93 5.379 3.672 -7.599 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.625 3.415 -6.627 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.950 4.776 -7.704 1.00 0.00 O ATOM 0 H ASP A 93 3.590 0.987 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 93 4.082 3.348 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.885 1.680 -8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.469 2.921 -9.278 1.00 0.00 H new ATOM 1411 N ASN A 94 5.170 0.258 -10.386 1.00 0.00 N ATOM 1412 CA ASN A 94 5.594 -0.714 -11.404 1.00 0.00 C ATOM 1413 C ASN A 94 4.528 -1.759 -11.580 1.00 0.00 C ATOM 1414 O ASN A 94 4.482 -2.468 -12.586 1.00 0.00 O ATOM 1415 CB ASN A 94 6.888 -1.409 -10.964 1.00 0.00 C ATOM 1416 CG ASN A 94 7.464 -2.357 -12.015 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.351 -2.126 -13.218 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.046 -3.432 -11.576 1.00 0.00 N ATOM 0 H ASN A 94 5.211 -0.085 -9.426 1.00 0.00 H new ATOM 0 HA ASN A 94 5.761 -0.184 -12.342 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.634 -0.651 -10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.696 -1.969 -10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.425 -4.112 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.125 -3.596 -10.572 1.00 0.00 H new ATOM 1425 N TRP A 95 3.646 -1.796 -10.612 1.00 0.00 N ATOM 1426 CA TRP A 95 2.621 -2.817 -10.470 1.00 0.00 C ATOM 1427 C TRP A 95 3.256 -4.167 -10.141 1.00 0.00 C ATOM 1428 O TRP A 95 3.016 -5.174 -10.810 1.00 0.00 O ATOM 1429 CB TRP A 95 1.651 -2.897 -11.673 1.00 0.00 C ATOM 1430 CG TRP A 95 0.887 -1.625 -11.894 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.214 -0.619 -12.742 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.321 -1.221 -11.244 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.285 0.381 -12.668 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.666 0.042 -11.756 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.144 -1.803 -10.285 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.797 0.732 -11.338 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.265 -1.119 -9.870 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.581 0.135 -10.397 1.00 0.00 C ATOM 0 H TRP A 95 3.616 -1.094 -9.872 1.00 0.00 H new ATOM 0 HA TRP A 95 1.992 -2.520 -9.630 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.216 -3.136 -12.574 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.948 -3.714 -11.512 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.083 -0.609 -13.383 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.302 1.245 -13.211 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.908 -2.773 -9.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.045 1.702 -11.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.910 -1.560 -9.125 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.468 0.644 -10.050 1.00 0.00 H new ATOM 1449 N SER A 96 4.127 -4.167 -9.150 1.00 0.00 N ATOM 1450 CA SER A 96 4.688 -5.383 -8.659 1.00 0.00 C ATOM 1451 C SER A 96 3.932 -5.744 -7.434 1.00 0.00 C ATOM 1452 O SER A 96 3.184 -4.923 -6.904 1.00 0.00 O ATOM 1453 CB SER A 96 6.133 -5.206 -8.231 1.00 0.00 C ATOM 1454 OG SER A 96 6.956 -4.689 -9.260 1.00 0.00 O ATOM 0 H SER A 96 4.455 -3.326 -8.675 1.00 0.00 H new ATOM 0 HA SER A 96 4.637 -6.133 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.172 -4.537 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.530 -6.167 -7.905 1.00 0.00 H new ATOM 0 HG SER A 96 7.804 -5.181 -9.279 1.00 0.00 H new ATOM 1460 N VAL A 97 4.127 -6.920 -6.980 1.00 0.00 N ATOM 1461 CA VAL A 97 3.593 -7.317 -5.743 1.00 0.00 C ATOM 1462 C VAL A 97 4.749 -7.586 -4.827 1.00 0.00 C ATOM 1463 O VAL A 97 5.741 -8.163 -5.256 1.00 0.00 O ATOM 1464 CB VAL A 97 2.701 -8.555 -5.894 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.404 -9.146 -4.570 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.402 -8.175 -6.522 1.00 0.00 C ATOM 0 H VAL A 97 4.667 -7.639 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 97 2.958 -6.532 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 97 3.233 -9.275 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.770 -10.023 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.335 -9.439 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.888 -8.412 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.775 -9.061 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.895 -7.442 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.586 -7.744 -7.506 1.00 0.00 H new ATOM 1476 N TRP A 98 4.648 -7.162 -3.617 1.00 0.00 N ATOM 1477 CA TRP A 98 5.688 -7.364 -2.692 1.00 0.00 C ATOM 1478 C TRP A 98 5.133 -8.120 -1.540 1.00 0.00 C ATOM 1479 O TRP A 98 4.029 -7.789 -1.038 1.00 0.00 O ATOM 1480 CB TRP A 98 6.301 -6.065 -2.190 1.00 0.00 C ATOM 1481 CG TRP A 98 7.604 -6.331 -1.535 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.856 -6.461 -0.202 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.829 -6.575 -2.207 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.172 -6.775 -0.010 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.792 -6.845 -1.230 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.203 -6.588 -3.555 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.102 -7.131 -1.548 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.508 -6.870 -3.877 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.450 -7.143 -2.875 1.00 0.00 C ATOM 0 H TRP A 98 3.838 -6.665 -3.247 1.00 0.00 H new ATOM 0 HA TRP A 98 6.485 -7.912 -3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.439 -5.374 -3.022 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.623 -5.584 -1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.126 -6.335 0.584 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.619 -6.932 0.893 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.479 -6.380 -4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.830 -7.339 -0.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 10.812 -6.882 -4.913 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.469 -7.367 -3.153 1.00 0.00 H new ATOM 1500 N CYS A 99 5.854 -9.131 -1.119 1.00 0.00 N ATOM 1501 CA CYS A 99 5.462 -9.866 0.025 1.00 0.00 C ATOM 1502 C CYS A 99 6.533 -9.705 1.022 1.00 0.00 C ATOM 1503 O CYS A 99 7.637 -10.162 0.807 1.00 0.00 O ATOM 1504 CB CYS A 99 5.235 -11.338 -0.285 1.00 0.00 C ATOM 1505 SG CYS A 99 4.831 -12.326 1.162 1.00 0.00 S ATOM 0 H CYS A 99 6.714 -9.452 -1.563 1.00 0.00 H new ATOM 0 HA CYS A 99 4.510 -9.489 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.428 -11.427 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.132 -11.744 -0.753 1.00 0.00 H new ATOM 1510 N TYR A 100 6.219 -9.081 2.106 1.00 0.00 N ATOM 1511 CA TYR A 100 7.225 -8.754 3.113 1.00 0.00 C ATOM 1512 C TYR A 100 7.769 -9.979 3.812 1.00 0.00 C ATOM 1513 O TYR A 100 8.938 -10.029 4.184 1.00 0.00 O ATOM 1514 CB TYR A 100 6.664 -7.826 4.145 1.00 0.00 C ATOM 1515 CG TYR A 100 6.242 -6.487 3.643 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.185 -5.539 3.274 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.905 -6.157 3.567 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.807 -4.296 2.837 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.511 -4.909 3.127 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.473 -3.981 2.762 1.00 0.00 C ATOM 1521 OH TYR A 100 5.100 -2.735 2.324 1.00 0.00 O ATOM 0 H TYR A 100 5.273 -8.777 2.337 1.00 0.00 H new ATOM 0 HA TYR A 100 8.042 -8.273 2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.805 -8.307 4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.412 -7.683 4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.235 -5.784 3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.158 -6.882 3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.554 -3.569 2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.462 -4.658 3.068 1.00 0.00 H new ATOM 0 HH TYR A 100 5.769 -2.396 1.693 1.00 0.00 H new ATOM 1531 N VAL A 101 6.940 -10.974 3.943 1.00 0.00 N ATOM 1532 CA VAL A 101 7.314 -12.168 4.685 1.00 0.00 C ATOM 1533 C VAL A 101 8.062 -13.155 3.765 1.00 0.00 C ATOM 1534 O VAL A 101 8.757 -14.052 4.216 1.00 0.00 O ATOM 1535 CB VAL A 101 6.069 -12.806 5.339 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.089 -13.181 4.291 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.414 -13.996 6.226 1.00 0.00 C ATOM 0 H VAL A 101 5.999 -10.993 3.550 1.00 0.00 H new ATOM 0 HA VAL A 101 7.996 -11.894 5.490 1.00 0.00 H new ATOM 0 HB VAL A 101 5.623 -12.061 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.212 -13.631 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.789 -12.291 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.544 -13.897 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.501 -14.404 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.907 -14.764 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.081 -13.673 7.025 1.00 0.00 H new ATOM 1547 N CYS A 102 7.914 -12.968 2.463 1.00 0.00 N ATOM 1548 CA CYS A 102 8.685 -13.735 1.517 1.00 0.00 C ATOM 1549 C CYS A 102 9.945 -12.954 1.238 1.00 0.00 C ATOM 1550 O CYS A 102 11.023 -13.511 0.977 1.00 0.00 O ATOM 1551 CB CYS A 102 7.918 -13.932 0.224 1.00 0.00 C ATOM 1552 SG CYS A 102 6.767 -15.307 0.169 1.00 0.00 S ATOM 0 H CYS A 102 7.270 -12.295 2.046 1.00 0.00 H new ATOM 0 HA CYS A 102 8.905 -14.721 1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.364 -13.017 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.639 -14.060 -0.583 1.00 0.00 H new ATOM 1557 N ASP A 103 9.771 -11.648 1.335 1.00 0.00 N ATOM 1558 CA ASP A 103 10.789 -10.640 1.113 1.00 0.00 C ATOM 1559 C ASP A 103 11.297 -10.715 -0.314 1.00 0.00 C ATOM 1560 O ASP A 103 12.495 -10.798 -0.586 1.00 0.00 O ATOM 1561 CB ASP A 103 11.909 -10.730 2.157 1.00 0.00 C ATOM 1562 CG ASP A 103 12.826 -9.525 2.161 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.413 -8.464 2.666 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.976 -9.624 1.685 1.00 0.00 O ATOM 0 H ASP A 103 8.869 -11.242 1.584 1.00 0.00 H new ATOM 0 HA ASP A 103 10.344 -9.654 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.465 -10.843 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.500 -11.626 1.969 1.00 0.00 H new ATOM 1569 N ASN A 104 10.362 -10.714 -1.234 1.00 0.00 N ATOM 1570 CA ASN A 104 10.649 -10.712 -2.609 1.00 0.00 C ATOM 1571 C ASN A 104 9.416 -10.157 -3.325 1.00 0.00 C ATOM 1572 O ASN A 104 8.364 -9.874 -2.671 1.00 0.00 O ATOM 1573 CB ASN A 104 10.921 -12.136 -3.096 1.00 0.00 C ATOM 1574 CG ASN A 104 9.678 -12.957 -3.105 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.391 -13.670 -2.194 1.00 0.00 O ATOM 1576 ND2 ASN A 104 8.945 -12.841 -4.142 1.00 0.00 N ATOM 0 H ASN A 104 9.365 -10.715 -1.020 1.00 0.00 H new ATOM 0 HA ASN A 104 11.532 -10.107 -2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.344 -12.104 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.664 -12.606 -2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.076 -13.370 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.228 -12.219 -4.899 1.00 0.00 H new ATOM 1583 N GLU A 105 9.518 -10.077 -4.638 1.00 0.00 N ATOM 1584 CA GLU A 105 8.466 -9.637 -5.501 1.00 0.00 C ATOM 1585 C GLU A 105 7.675 -10.821 -6.032 1.00 0.00 C ATOM 1586 O GLU A 105 8.268 -11.802 -6.461 1.00 0.00 O ATOM 1587 CB GLU A 105 9.106 -8.990 -6.671 1.00 0.00 C ATOM 1588 CG GLU A 105 8.105 -8.310 -7.547 1.00 0.00 C ATOM 1589 CD GLU A 105 8.686 -7.673 -8.775 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.070 -6.487 -8.734 1.00 0.00 O ATOM 1591 OE2 GLU A 105 8.751 -8.346 -9.824 1.00 0.00 O ATOM 0 H GLU A 105 10.370 -10.328 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 105 7.802 -8.970 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.841 -8.262 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.646 -9.739 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.353 -9.038 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.591 -7.545 -6.965 1.00 0.00 H new ATOM 1598 N VAL A 106 6.382 -10.733 -6.041 1.00 0.00 N ATOM 1599 CA VAL A 106 5.580 -11.828 -6.529 1.00 0.00 C ATOM 1600 C VAL A 106 5.299 -11.619 -8.023 1.00 0.00 C ATOM 1601 O VAL A 106 5.083 -10.464 -8.472 1.00 0.00 O ATOM 1602 CB VAL A 106 4.266 -12.012 -5.726 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.579 -13.302 -6.136 1.00 0.00 C ATOM 1604 CG2 VAL A 106 4.553 -12.030 -4.228 1.00 0.00 C ATOM 0 H VAL A 106 5.854 -9.922 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 106 6.143 -12.751 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 106 3.607 -11.172 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.658 -13.421 -5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.345 -13.267 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.240 -14.145 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.620 -12.160 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.227 -12.855 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.017 -11.088 -3.935 1.00 0.00 H new ATOM 1614 N GLN A 107 5.340 -12.720 -8.777 1.00 0.00 N ATOM 1615 CA GLN A 107 5.185 -12.711 -10.230 1.00 0.00 C ATOM 1616 C GLN A 107 3.723 -12.702 -10.627 1.00 0.00 C ATOM 1617 O GLN A 107 3.311 -11.896 -11.457 1.00 0.00 O ATOM 1618 CB GLN A 107 5.849 -13.937 -10.915 1.00 0.00 C ATOM 1619 CG GLN A 107 7.351 -14.165 -10.683 1.00 0.00 C ATOM 1620 CD GLN A 107 7.694 -14.751 -9.321 1.00 0.00 C ATOM 1621 OE1 GLN A 107 7.712 -15.969 -9.143 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.021 -13.927 -8.380 1.00 0.00 N ATOM 0 H GLN A 107 5.483 -13.653 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 107 5.682 -11.801 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.320 -14.831 -10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.686 -13.849 -11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.729 -14.832 -11.458 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.873 -13.215 -10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.998 -12.922 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.302 -14.282 -7.466 1.00 0.00 H new ATOM 1631 N TYR A 108 2.950 -13.608 -9.998 1.00 0.00 N ATOM 1632 CA TYR A 108 1.507 -13.877 -10.264 1.00 0.00 C ATOM 1633 C TYR A 108 1.157 -14.096 -11.741 1.00 0.00 C ATOM 1634 O TYR A 108 2.007 -14.056 -12.625 1.00 0.00 O ATOM 1635 CB TYR A 108 0.541 -12.871 -9.581 1.00 0.00 C ATOM 1636 CG TYR A 108 0.754 -11.442 -9.930 1.00 0.00 C ATOM 1637 CD1 TYR A 108 0.161 -10.877 -11.039 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.570 -10.664 -9.155 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.378 -9.569 -11.362 1.00 0.00 C ATOM 1640 CE2 TYR A 108 1.804 -9.368 -9.459 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.203 -8.806 -10.573 1.00 0.00 C ATOM 1642 OH TYR A 108 1.422 -7.485 -10.899 1.00 0.00 O ATOM 0 H TYR A 108 3.322 -14.203 -9.257 1.00 0.00 H new ATOM 0 HA TYR A 108 1.343 -14.839 -9.780 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.482 -13.142 -9.842 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.634 -12.981 -8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.485 -11.479 -11.661 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.037 -11.095 -8.282 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.095 -9.137 -12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.456 -8.774 -8.836 1.00 0.00 H new ATOM 0 HH TYR A 108 2.274 -7.190 -10.514 1.00 0.00 H new ATOM 1652 N CYS A 109 -0.081 -14.371 -11.982 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.602 -14.589 -13.302 1.00 0.00 C ATOM 1654 C CYS A 109 -2.075 -14.254 -13.212 1.00 0.00 C ATOM 1655 O CYS A 109 -2.641 -14.414 -12.137 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.393 -16.060 -13.691 1.00 0.00 C ATOM 1657 SG CYS A 109 -0.789 -16.460 -15.399 1.00 0.00 S ATOM 0 H CYS A 109 -0.784 -14.454 -11.248 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.107 -13.980 -14.058 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.648 -16.325 -13.504 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.003 -16.683 -13.037 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.888 -17.153 -15.439 1.00 0.00 H new ATOM 1663 N SER A 110 -2.694 -13.799 -14.296 1.00 0.00 N ATOM 1664 CA SER A 110 -4.096 -13.355 -14.260 1.00 0.00 C ATOM 1665 C SER A 110 -5.070 -14.483 -13.856 1.00 0.00 C ATOM 1666 O SER A 110 -6.129 -14.224 -13.296 1.00 0.00 O ATOM 1667 CB SER A 110 -4.498 -12.718 -15.600 1.00 0.00 C ATOM 1668 OG SER A 110 -3.629 -11.628 -15.927 1.00 0.00 O ATOM 0 H SER A 110 -2.253 -13.725 -15.213 1.00 0.00 H new ATOM 0 HA SER A 110 -4.171 -12.596 -13.481 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.461 -13.468 -16.390 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.527 -12.364 -15.545 1.00 0.00 H new ATOM 0 HG SER A 110 -3.901 -11.238 -16.784 1.00 0.00 H new ATOM 1674 N SER A 111 -4.694 -15.716 -14.129 1.00 0.00 N ATOM 1675 CA SER A 111 -5.482 -16.877 -13.760 1.00 0.00 C ATOM 1676 C SER A 111 -5.369 -17.169 -12.251 1.00 0.00 C ATOM 1677 O SER A 111 -6.282 -17.735 -11.626 1.00 0.00 O ATOM 1678 CB SER A 111 -5.015 -18.068 -14.598 1.00 0.00 C ATOM 1679 OG SER A 111 -3.584 -18.138 -14.609 1.00 0.00 O ATOM 0 H SER A 111 -3.827 -15.943 -14.616 1.00 0.00 H new ATOM 0 HA SER A 111 -6.536 -16.685 -13.962 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.428 -18.991 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.389 -17.973 -15.617 1.00 0.00 H new ATOM 0 HG SER A 111 -3.298 -18.905 -15.147 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.262 -16.761 -11.671 1.00 0.00 N ATOM 1686 CA ASN A 112 -4.027 -16.942 -10.254 1.00 0.00 C ATOM 1687 C ASN A 112 -4.743 -15.839 -9.512 1.00 0.00 C ATOM 1688 O ASN A 112 -4.813 -14.730 -10.009 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.519 -16.899 -9.929 1.00 0.00 C ATOM 1690 CG ASN A 112 -2.243 -17.026 -8.431 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -2.197 -16.024 -7.713 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -2.062 -18.228 -7.960 1.00 0.00 N ATOM 0 H ASN A 112 -3.501 -16.296 -12.166 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.403 -17.918 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -2.013 -17.706 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.097 -15.963 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.875 -18.364 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.108 -19.033 -8.585 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.264 -16.150 -8.345 1.00 0.00 N ATOM 1700 CA GLN A 113 -6.022 -15.219 -7.491 1.00 0.00 C ATOM 1701 C GLN A 113 -5.316 -13.862 -7.319 1.00 0.00 C ATOM 1702 O GLN A 113 -5.957 -12.807 -7.361 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.222 -15.863 -6.126 1.00 0.00 C ATOM 1704 CG GLN A 113 -6.860 -14.979 -5.084 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.748 -15.569 -3.699 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -6.576 -14.715 -2.744 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -6.756 -16.786 -3.514 1.00 0.00 N flip ATOM 0 H GLN A 113 -5.177 -17.082 -7.939 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.977 -15.022 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.838 -16.754 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.253 -16.195 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.385 -13.998 -5.100 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.911 -14.828 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.896 -17.420 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.623 -17.160 -2.574 1.00 0.00 H new ATOM 1716 N LEU A 114 -4.008 -13.886 -7.155 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.253 -12.673 -6.967 1.00 0.00 C ATOM 1718 C LEU A 114 -3.222 -11.869 -8.233 1.00 0.00 C ATOM 1719 O LEU A 114 -3.402 -10.656 -8.203 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.850 -12.998 -6.490 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.920 -11.812 -6.293 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -1.497 -10.810 -5.314 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.402 -12.293 -5.810 1.00 0.00 C ATOM 0 H LEU A 114 -3.448 -14.739 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.742 -12.070 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.925 -13.536 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.392 -13.678 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.802 -11.308 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.806 -9.976 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.451 -10.441 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.650 -11.292 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.069 -11.443 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.275 -12.816 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.832 -12.973 -6.545 1.00 0.00 H new ATOM 1735 N GLY A 115 -3.079 -12.548 -9.337 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.101 -11.876 -10.597 1.00 0.00 C ATOM 1737 C GLY A 115 -4.472 -11.340 -10.874 1.00 0.00 C ATOM 1738 O GLY A 115 -4.604 -10.231 -11.374 1.00 0.00 O ATOM 0 H GLY A 115 -2.947 -13.558 -9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.377 -11.061 -10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.805 -12.563 -11.389 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.502 -12.129 -10.540 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.905 -11.718 -10.668 1.00 0.00 C ATOM 1744 C GLN A 116 -7.146 -10.449 -9.917 1.00 0.00 C ATOM 1745 O GLN A 116 -7.758 -9.502 -10.436 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.852 -12.764 -10.066 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.715 -14.136 -10.617 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.841 -15.040 -10.186 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -9.959 -14.587 -9.944 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.573 -16.302 -10.112 1.00 0.00 N ATOM 0 H GLN A 116 -5.384 -13.073 -10.172 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.097 -11.596 -11.734 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.685 -12.804 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.879 -12.430 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.688 -14.087 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.765 -14.562 -10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.632 -16.637 -10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.302 -16.963 -9.845 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.622 -10.399 -8.718 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.865 -9.275 -7.882 1.00 0.00 C ATOM 1761 C VAL A 117 -6.088 -8.077 -8.339 1.00 0.00 C ATOM 1762 O VAL A 117 -6.651 -7.025 -8.471 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.693 -9.569 -6.385 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.531 -8.292 -5.592 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.925 -10.270 -5.917 1.00 0.00 C ATOM 0 H VAL A 117 -6.030 -11.123 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.922 -9.033 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.801 -10.178 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.411 -8.532 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.650 -7.754 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.414 -7.667 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.835 -10.494 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.792 -9.630 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.049 -11.199 -6.474 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.808 -8.246 -8.608 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.987 -7.145 -9.144 1.00 0.00 C ATOM 1777 C VAL A 118 -4.598 -6.585 -10.403 1.00 0.00 C ATOM 1778 O VAL A 118 -4.635 -5.387 -10.587 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.526 -7.569 -9.439 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.749 -6.447 -10.140 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.816 -7.928 -8.166 1.00 0.00 C ATOM 0 H VAL A 118 -4.305 -9.123 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.964 -6.382 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.567 -8.436 -10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.728 -6.777 -10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.236 -6.202 -11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.731 -5.564 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.791 -8.223 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.807 -7.066 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.334 -8.756 -7.682 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.150 -7.447 -11.209 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.767 -7.038 -12.473 1.00 0.00 C ATOM 1793 C ASP A 119 -7.014 -6.203 -12.158 1.00 0.00 C ATOM 1794 O ASP A 119 -7.197 -5.093 -12.680 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.138 -8.281 -13.294 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.660 -7.975 -14.677 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -5.862 -7.588 -15.561 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -7.870 -8.169 -14.919 1.00 0.00 O ATOM 0 H ASP A 119 -5.194 -8.449 -11.025 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.070 -6.439 -13.060 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.259 -8.920 -13.382 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.892 -8.850 -12.751 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.784 -6.690 -11.193 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.015 -6.024 -10.749 1.00 0.00 C ATOM 1805 C TYR A 120 -8.676 -4.673 -10.108 1.00 0.00 C ATOM 1806 O TYR A 120 -9.188 -3.616 -10.487 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.804 -6.957 -9.761 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.665 -6.254 -8.726 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.813 -5.581 -9.072 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.289 -6.261 -7.385 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.552 -4.920 -8.125 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -11.022 -5.619 -6.433 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.160 -4.935 -6.813 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.897 -4.239 -5.891 1.00 0.00 O ATOM 0 H TYR A 120 -7.579 -7.555 -10.693 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.658 -5.832 -11.608 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.443 -7.617 -10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.086 -7.589 -9.239 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.137 -5.573 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.393 -6.789 -7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.445 -4.386 -8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.718 -5.645 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.650 -3.800 -6.338 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.757 -4.694 -9.227 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.409 -3.535 -8.469 1.00 0.00 C ATOM 1826 C VAL A 121 -6.714 -2.517 -9.370 1.00 0.00 C ATOM 1827 O VAL A 121 -6.854 -1.301 -9.181 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.534 -3.913 -7.251 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -6.101 -2.717 -6.483 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -7.270 -4.863 -6.339 1.00 0.00 C ATOM 0 H VAL A 121 -7.209 -5.524 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.319 -3.079 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.643 -4.404 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.489 -3.030 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.518 -2.061 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.978 -2.182 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.636 -5.116 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -8.184 -4.389 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.522 -5.771 -6.886 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.044 -3.010 -10.386 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.454 -2.160 -11.347 1.00 0.00 C ATOM 1842 C ARG A 122 -6.538 -1.466 -12.108 1.00 0.00 C ATOM 1843 O ARG A 122 -6.425 -0.302 -12.368 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.524 -2.904 -12.269 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.732 -1.998 -13.171 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.587 -2.754 -13.806 1.00 0.00 C ATOM 1847 NE ARG A 122 -3.072 -3.808 -14.707 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.548 -5.032 -14.811 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -1.469 -5.359 -14.101 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -3.096 -5.917 -15.629 1.00 0.00 N ATOM 0 H ARG A 122 -5.903 -4.006 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.840 -1.421 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.836 -3.504 -11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.105 -3.596 -12.879 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.380 -1.589 -13.946 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.346 -1.153 -12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.956 -2.061 -14.362 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.966 -3.197 -13.027 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.872 -3.588 -15.300 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.042 -4.674 -13.477 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.070 -6.294 -14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.917 -5.664 -16.179 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.697 -6.852 -15.710 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.623 -2.172 -12.395 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.791 -1.569 -13.057 1.00 0.00 C ATOM 1866 C LYS A 123 -9.484 -0.582 -12.121 1.00 0.00 C ATOM 1867 O LYS A 123 -10.209 0.293 -12.564 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.827 -2.639 -13.413 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.397 -3.791 -14.317 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.144 -3.382 -15.754 1.00 0.00 C ATOM 1871 CE LYS A 123 -7.758 -2.774 -15.983 1.00 0.00 C ATOM 1872 NZ LYS A 123 -7.552 -2.380 -17.385 1.00 0.00 N ATOM 0 H LYS A 123 -7.727 -3.164 -12.183 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.427 -1.070 -13.955 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.196 -3.068 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.670 -2.139 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.490 -4.239 -13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.168 -4.561 -14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -9.260 -4.254 -16.397 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -9.903 -2.660 -16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.634 -1.903 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.994 -3.495 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.601 -1.973 -17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.644 -3.215 -17.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.265 -1.672 -17.655 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.296 -0.750 -10.818 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.934 0.182 -9.887 1.00 0.00 C ATOM 1888 C GLN A 124 -9.212 1.502 -9.891 1.00 0.00 C ATOM 1889 O GLN A 124 -9.822 2.575 -9.988 1.00 0.00 O ATOM 1890 CB GLN A 124 -10.005 -0.322 -8.458 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.837 -1.566 -8.237 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.907 -1.801 -9.272 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -13.042 -1.338 -9.159 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.555 -2.562 -10.247 1.00 0.00 N ATOM 0 H GLN A 124 -8.734 -1.487 -10.392 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.958 0.290 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.991 -0.521 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.405 0.475 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.174 -2.431 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.308 -1.502 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.601 -2.921 -10.296 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.229 -2.807 -10.972 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.909 1.406 -9.781 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.033 2.549 -9.744 1.00 0.00 C ATOM 1905 C ALA A 125 -6.933 3.196 -11.100 1.00 0.00 C ATOM 1906 O ALA A 125 -6.925 4.424 -11.217 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.670 2.102 -9.279 1.00 0.00 C ATOM 0 H ALA A 125 -7.420 0.514 -9.713 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.438 3.288 -9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.997 2.959 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.750 1.666 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.276 1.357 -9.970 1.00 0.00 H new ATOM 1913 N SER A 126 -6.819 2.381 -12.102 1.00 0.00 N ATOM 1914 CA SER A 126 -6.741 2.861 -13.460 1.00 0.00 C ATOM 1915 C SER A 126 -8.136 3.122 -13.989 1.00 0.00 C ATOM 1916 O SER A 126 -8.585 4.280 -13.963 1.00 0.00 O ATOM 1917 CB SER A 126 -6.018 1.849 -14.341 1.00 0.00 C ATOM 1918 OG SER A 126 -4.746 1.516 -13.775 1.00 0.00 O ATOM 1919 OXT SER A 126 -8.806 2.175 -14.405 1.00 0.00 O ATOM 0 H SER A 126 -6.777 1.366 -12.010 1.00 0.00 H new ATOM 0 HA SER A 126 -6.175 3.793 -13.476 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.624 0.949 -14.445 1.00 0.00 H new ATOM 0 HB3 SER A 126 -5.882 2.259 -15.342 1.00 0.00 H new ATOM 0 HG SER A 126 -4.857 0.791 -13.125 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.806 7.516 3.878 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.391 -3.993 5.549 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 4.676 -14.547 0.594 1.00 0.00 ZN