USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1057 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: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -25.9! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -1 K(o=-27,f=-24) USER MOD Set 2.1: A 31 MET CE :methyl -155:sc= -1.19 (180deg=-3.27!) USER MOD Set 2.2: A 46 CYS SG : rot 11:sc= 0.642 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -175:sc= -0.315 (180deg=-0.486) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 11 THR OG1 : rot -126:sc= 1.3! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.69 USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.9 USER MOD Single : A 24 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc=-0.00504 (180deg=-0.151) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= -16.6! (180deg=-18.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0223 K(o=-0.022,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= -1.39 (180deg=-3.38!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.0862 K(o=0.086,f=-4.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -60:sc= -2.83! USER MOD Single : A 71 HIS : no HD1:sc= -0.695 K(o=-0.69,f=-1.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 176:sc= -0.969 (180deg=-0.988) USER MOD Single : B 92 ASN : amide:sc= -4.03! K(o=-4!,f=-0.36) USER MOD Single : B 94 MET CE :methyl -161:sc= -1.23 (180deg=-3.19!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0945) USER MOD Single : B 97 GLN : amide:sc= -7.21! K(o=-7.2!,f=-1.7) USER MOD Single : B 107 LYS NZ :NH3+ -153:sc= -1.1 (180deg=-2.71!) USER MOD Single : B 110 LYS NZ :NH3+ 151:sc= -0.208 (180deg=-0.987) USER MOD Single : B 115 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-0.67) USER MOD Single : B 117 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.1) USER MOD Single : B 118 TYR OH : rot 10:sc= -0.658 USER MOD Single : B 121 LYS NZ :NH3+ -165:sc=-0.00953 (180deg=-0.218) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -99:sc= 0.807 USER MOD Single : B 131 ASN : amide:sc= -0.585 K(o=-0.58,f=-5.4!) USER MOD Single : B 132 GLN : amide:sc= -0.769 K(o=-0.77,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.872 -10.155 -28.425 1.00 0.00 N ATOM 2 CA GLN A 1 -10.771 -9.597 -29.259 1.00 0.00 C ATOM 3 C GLN A 1 -9.841 -8.759 -28.378 1.00 0.00 C ATOM 4 O GLN A 1 -8.940 -8.100 -28.861 1.00 0.00 O ATOM 5 CB GLN A 1 -11.361 -8.715 -30.361 1.00 0.00 C ATOM 6 CG GLN A 1 -12.331 -9.539 -31.210 1.00 0.00 C ATOM 7 CD GLN A 1 -12.684 -8.762 -32.478 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.257 -9.115 -33.558 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.455 -7.712 -32.394 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.456 -10.793 -29.003 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.468 -10.684 -27.626 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.461 -9.378 -28.063 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.208 -10.413 -29.711 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.880 -7.863 -29.921 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.564 -8.314 -30.987 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.880 -10.496 -31.471 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.235 -9.757 -30.641 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.814 -7.414 -31.487 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.698 -7.189 -33.235 1.00 0.00 H new ATOM 20 N GLY A 2 -10.051 -8.777 -27.091 1.00 0.00 N ATOM 21 CA GLY A 2 -9.177 -7.981 -26.182 1.00 0.00 C ATOM 22 C GLY A 2 -9.438 -8.393 -24.734 1.00 0.00 C ATOM 23 O GLY A 2 -10.071 -7.682 -23.979 1.00 0.00 O ATOM 0 H GLY A 2 -10.789 -9.308 -26.629 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.129 -8.143 -26.434 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.375 -6.917 -26.310 1.00 0.00 H new ATOM 27 N SER A 3 -8.951 -9.536 -24.335 1.00 0.00 N ATOM 28 CA SER A 3 -9.172 -9.991 -22.933 1.00 0.00 C ATOM 29 C SER A 3 -8.165 -11.089 -22.586 1.00 0.00 C ATOM 30 O SER A 3 -8.466 -12.012 -21.858 1.00 0.00 O ATOM 31 CB SER A 3 -10.591 -10.539 -22.794 1.00 0.00 C ATOM 32 OG SER A 3 -10.741 -11.677 -23.631 1.00 0.00 O ATOM 0 H SER A 3 -8.410 -10.174 -24.919 1.00 0.00 H new ATOM 0 HA SER A 3 -9.038 -9.149 -22.253 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.789 -10.808 -21.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.317 -9.774 -23.069 1.00 0.00 H new ATOM 0 HG SER A 3 -11.650 -12.031 -23.542 1.00 0.00 H new ATOM 38 N ARG A 4 -6.968 -10.992 -23.099 1.00 0.00 N ATOM 39 CA ARG A 4 -5.943 -12.029 -22.793 1.00 0.00 C ATOM 40 C ARG A 4 -5.465 -11.851 -21.352 1.00 0.00 C ATOM 41 O ARG A 4 -5.429 -10.753 -20.831 1.00 0.00 O ATOM 42 CB ARG A 4 -4.756 -11.873 -23.750 1.00 0.00 C ATOM 43 CG ARG A 4 -3.715 -12.958 -23.458 1.00 0.00 C ATOM 44 CD ARG A 4 -2.571 -12.870 -24.474 1.00 0.00 C ATOM 45 NE ARG A 4 -3.121 -12.761 -25.867 1.00 0.00 N ATOM 46 CZ ARG A 4 -3.934 -13.660 -26.358 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.158 -14.773 -25.716 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.482 -13.466 -27.527 1.00 0.00 N ATOM 0 H ARG A 4 -6.657 -10.241 -23.715 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.376 -13.022 -22.916 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.096 -11.949 -24.783 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.309 -10.886 -23.634 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.325 -12.838 -22.447 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.180 -13.943 -23.505 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.945 -12.005 -24.254 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.936 -13.752 -24.394 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.853 -11.965 -26.446 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.697 -14.948 -24.823 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.794 -15.468 -26.107 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.275 -12.617 -28.053 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.117 -14.164 -27.915 1.00 0.00 H new ATOM 62 N VAL A 5 -5.096 -12.920 -20.699 1.00 0.00 N ATOM 63 CA VAL A 5 -4.622 -12.797 -19.292 1.00 0.00 C ATOM 64 C VAL A 5 -3.308 -12.012 -19.268 1.00 0.00 C ATOM 65 O VAL A 5 -2.237 -12.569 -19.411 1.00 0.00 O ATOM 66 CB VAL A 5 -4.396 -14.195 -18.709 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.050 -14.079 -17.225 1.00 0.00 C ATOM 68 CG2 VAL A 5 -5.674 -15.022 -18.871 1.00 0.00 C ATOM 0 H VAL A 5 -5.102 -13.867 -21.077 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.369 -12.273 -18.696 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.575 -14.682 -19.235 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.889 -15.074 -16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.143 -13.486 -17.108 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.871 -13.594 -16.697 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.518 -16.018 -18.457 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.493 -14.534 -18.342 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.923 -15.104 -19.929 1.00 0.00 H new ATOM 78 N LEU A 6 -3.388 -10.721 -19.075 1.00 0.00 N ATOM 79 CA LEU A 6 -2.161 -9.864 -19.021 1.00 0.00 C ATOM 80 C LEU A 6 -2.132 -9.167 -17.666 1.00 0.00 C ATOM 81 O LEU A 6 -1.173 -9.249 -16.924 1.00 0.00 O ATOM 82 CB LEU A 6 -2.214 -8.811 -20.134 1.00 0.00 C ATOM 83 CG LEU A 6 -2.013 -9.480 -21.508 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.594 -8.584 -22.607 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.517 -9.696 -21.787 1.00 0.00 C ATOM 0 H LEU A 6 -4.265 -10.215 -18.950 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.269 -10.475 -19.157 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.173 -8.293 -20.110 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.442 -8.059 -19.971 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.522 -10.444 -21.500 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.451 -9.059 -23.577 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.659 -8.435 -22.430 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.086 -7.620 -22.597 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.393 -10.169 -22.761 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.004 -8.735 -21.783 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.092 -10.338 -21.015 1.00 0.00 H new ATOM 97 N HIS A 7 -3.195 -8.480 -17.339 1.00 0.00 N ATOM 98 CA HIS A 7 -3.270 -7.770 -16.036 1.00 0.00 C ATOM 99 C HIS A 7 -4.711 -7.813 -15.530 1.00 0.00 C ATOM 100 O HIS A 7 -5.416 -6.828 -15.552 1.00 0.00 O ATOM 101 CB HIS A 7 -2.839 -6.313 -16.222 1.00 0.00 C ATOM 102 CG HIS A 7 -1.447 -6.272 -16.795 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.328 -6.588 -16.041 1.00 0.00 N ATOM 104 CD2 HIS A 7 -0.980 -5.952 -18.045 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.747 -6.453 -16.837 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.406 -6.067 -18.069 1.00 0.00 N ATOM 0 H HIS A 7 -4.022 -8.382 -17.928 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.610 -8.252 -15.315 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.533 -5.799 -16.887 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.866 -5.789 -15.266 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.321 -6.871 -15.061 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.595 -5.656 -18.882 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.763 -6.635 -16.519 1.00 0.00 H new ATOM 114 N VAL A 8 -5.152 -8.946 -15.056 1.00 0.00 N ATOM 115 CA VAL A 8 -6.543 -9.037 -14.536 1.00 0.00 C ATOM 116 C VAL A 8 -6.585 -8.226 -13.248 1.00 0.00 C ATOM 117 O VAL A 8 -5.552 -7.990 -12.654 1.00 0.00 O ATOM 118 CB VAL A 8 -6.884 -10.503 -14.247 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.393 -10.649 -14.068 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.429 -11.376 -15.422 1.00 0.00 C ATOM 0 H VAL A 8 -4.611 -9.809 -15.007 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.265 -8.655 -15.258 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.374 -10.819 -13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.636 -11.692 -13.862 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.722 -10.029 -13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.900 -10.331 -14.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.672 -12.419 -15.216 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.939 -11.057 -16.331 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.352 -11.274 -15.556 1.00 0.00 H new ATOM 130 N VAL A 9 -7.736 -7.765 -12.798 1.00 0.00 N ATOM 131 CA VAL A 9 -7.729 -6.946 -11.545 1.00 0.00 C ATOM 132 C VAL A 9 -8.987 -7.190 -10.708 1.00 0.00 C ATOM 133 O VAL A 9 -10.100 -7.142 -11.192 1.00 0.00 O ATOM 134 CB VAL A 9 -7.625 -5.450 -11.905 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.555 -5.241 -12.981 1.00 0.00 C ATOM 136 CG2 VAL A 9 -8.969 -4.953 -12.446 1.00 0.00 C ATOM 0 H VAL A 9 -8.648 -7.916 -13.230 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.866 -7.245 -10.950 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.356 -4.894 -11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.490 -4.181 -13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.591 -5.587 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.822 -5.806 -13.874 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.891 -3.896 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.235 -5.521 -13.338 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.739 -5.088 -11.687 1.00 0.00 H new ATOM 146 N GLN A 10 -8.796 -7.428 -9.436 1.00 0.00 N ATOM 147 CA GLN A 10 -9.943 -7.657 -8.513 1.00 0.00 C ATOM 148 C GLN A 10 -10.229 -6.366 -7.741 1.00 0.00 C ATOM 149 O GLN A 10 -9.345 -5.762 -7.165 1.00 0.00 O ATOM 150 CB GLN A 10 -9.590 -8.769 -7.523 1.00 0.00 C ATOM 151 CG GLN A 10 -10.798 -9.074 -6.636 1.00 0.00 C ATOM 152 CD GLN A 10 -10.428 -10.161 -5.625 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.367 -10.121 -5.035 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.262 -11.139 -5.398 1.00 0.00 N ATOM 0 H GLN A 10 -7.878 -7.474 -8.993 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.822 -7.949 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.287 -9.666 -8.062 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.743 -8.466 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.117 -8.171 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.638 -9.402 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.153 -11.174 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.022 -11.868 -4.726 1.00 0.00 H new ATOM 163 N THR A 11 -11.460 -5.940 -7.732 1.00 0.00 N ATOM 164 CA THR A 11 -11.825 -4.690 -7.008 1.00 0.00 C ATOM 165 C THR A 11 -11.576 -4.842 -5.521 1.00 0.00 C ATOM 166 O THR A 11 -11.599 -5.921 -4.963 1.00 0.00 O ATOM 167 CB THR A 11 -13.299 -4.401 -7.229 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.573 -4.406 -8.619 1.00 0.00 O ATOM 169 CG2 THR A 11 -13.684 -3.042 -6.625 1.00 0.00 C ATOM 0 H THR A 11 -12.237 -6.408 -8.199 1.00 0.00 H new ATOM 0 HA THR A 11 -11.212 -3.873 -7.390 1.00 0.00 H new ATOM 0 HB THR A 11 -13.888 -5.173 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.004 -3.563 -8.870 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.744 -2.856 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.484 -3.050 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.097 -2.254 -7.097 1.00 0.00 H new ATOM 177 N LEU A 12 -11.356 -3.737 -4.888 1.00 5.40 N ATOM 178 CA LEU A 12 -11.111 -3.706 -3.417 1.00 9.02 C ATOM 179 C LEU A 12 -12.283 -2.960 -2.779 1.00 10.54 C ATOM 180 O LEU A 12 -12.508 -3.044 -1.588 1.00 10.21 O ATOM 181 CB LEU A 12 -9.804 -2.927 -3.111 1.00 7.97 C ATOM 182 CG LEU A 12 -8.481 -3.647 -3.574 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.294 -2.697 -3.393 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.158 -4.934 -2.794 1.00 6.66 C ATOM 0 H LEU A 12 -11.334 -2.821 -5.336 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.018 -4.720 -3.028 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -9.858 -1.951 -3.594 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -9.747 -2.749 -2.037 1.00 7.97 H new ATOM 0 HG LEU A 12 -8.646 -3.921 -4.616 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.378 -3.194 -3.713 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.450 -1.801 -3.994 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.208 -2.418 -2.343 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.233 -5.367 -3.174 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.041 -4.699 -1.736 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -8.971 -5.649 -2.919 1.00 6.66 H new ATOM 196 N TYR A 13 -13.032 -2.223 -3.563 1.00 12.19 N ATOM 197 CA TYR A 13 -14.191 -1.466 -2.980 1.00 12.32 C ATOM 198 C TYR A 13 -15.329 -1.315 -4.021 1.00 14.17 C ATOM 199 O TYR A 13 -15.047 -1.146 -5.192 1.00 14.79 O ATOM 200 CB TYR A 13 -13.716 -0.071 -2.562 1.00 14.83 C ATOM 201 CG TYR A 13 -12.377 -0.181 -1.869 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.312 -0.599 -0.534 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.200 0.139 -2.559 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.073 -0.696 0.110 1.00 12.56 C ATOM 205 CE2 TYR A 13 -9.961 0.041 -1.915 1.00 10.94 C ATOM 206 CZ TYR A 13 -9.898 -0.377 -0.580 1.00 12.35 C ATOM 207 OH TYR A 13 -8.676 -0.474 0.054 1.00 12.20 O ATOM 0 H TYR A 13 -12.897 -2.112 -4.568 1.00 12.19 H new ATOM 0 HA TYR A 13 -14.571 -2.017 -2.120 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.633 0.574 -3.437 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.446 0.389 -1.895 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.218 -0.847 -0.001 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.249 0.462 -3.589 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.024 -1.017 1.140 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.054 0.288 -2.447 1.00 10.94 H new ATOM 0 HH TYR A 13 -7.963 -0.217 -0.568 1.00 12.20 H new ATOM 217 N PRO A 14 -16.590 -1.350 -3.586 1.00 0.00 N ATOM 218 CA PRO A 14 -17.735 -1.180 -4.513 1.00 0.00 C ATOM 219 C PRO A 14 -17.818 0.295 -4.942 1.00 0.00 C ATOM 220 O PRO A 14 -18.579 1.067 -4.393 1.00 0.00 O ATOM 221 CB PRO A 14 -18.973 -1.567 -3.676 1.00 0.00 C ATOM 222 CG PRO A 14 -18.536 -1.536 -2.186 1.00 0.00 C ATOM 223 CD PRO A 14 -16.990 -1.564 -2.167 1.00 0.00 C ATOM 0 HA PRO A 14 -17.650 -1.784 -5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.792 -0.870 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.332 -2.558 -3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.911 -0.639 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.944 -2.391 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.588 -0.784 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.616 -2.516 -1.789 1.00 0.00 H new ATOM 231 N PHE A 15 -17.031 0.695 -5.897 1.00 0.00 N ATOM 232 CA PHE A 15 -17.061 2.123 -6.332 1.00 0.00 C ATOM 233 C PHE A 15 -18.341 2.433 -7.100 1.00 0.00 C ATOM 234 O PHE A 15 -19.103 1.555 -7.452 1.00 0.00 O ATOM 235 CB PHE A 15 -15.869 2.408 -7.244 1.00 0.00 C ATOM 236 CG PHE A 15 -15.737 3.903 -7.497 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.597 4.807 -6.427 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.750 4.392 -8.816 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.471 6.178 -6.678 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.623 5.765 -9.059 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.484 6.657 -7.992 1.00 0.00 C ATOM 0 H PHE A 15 -16.369 0.101 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.018 2.748 -5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.955 2.028 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.994 1.883 -8.191 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.587 4.442 -5.411 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.858 3.706 -9.643 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.363 6.868 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.632 6.136 -10.073 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.387 7.716 -8.182 1.00 0.00 H new ATOM 251 N SER A 16 -18.572 3.694 -7.361 1.00 0.00 N ATOM 252 CA SER A 16 -19.795 4.105 -8.118 1.00 0.00 C ATOM 253 C SER A 16 -19.425 5.178 -9.137 1.00 0.00 C ATOM 254 O SER A 16 -19.087 6.294 -8.797 1.00 0.00 O ATOM 255 CB SER A 16 -20.838 4.657 -7.146 1.00 0.00 C ATOM 256 OG SER A 16 -21.339 3.597 -6.341 1.00 0.00 O ATOM 0 H SER A 16 -17.962 4.462 -7.081 1.00 0.00 H new ATOM 0 HA SER A 16 -20.209 3.240 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.393 5.428 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.653 5.127 -7.697 1.00 0.00 H new ATOM 0 HG SER A 16 -22.007 3.949 -5.716 1.00 0.00 H new ATOM 262 N SER A 17 -19.487 4.830 -10.392 1.00 0.00 N ATOM 263 CA SER A 17 -19.144 5.790 -11.479 1.00 0.00 C ATOM 264 C SER A 17 -20.225 5.694 -12.557 1.00 0.00 C ATOM 265 O SER A 17 -20.339 4.695 -13.238 1.00 0.00 O ATOM 266 CB SER A 17 -17.764 5.414 -12.036 1.00 0.00 C ATOM 267 OG SER A 17 -17.069 6.595 -12.394 1.00 0.00 O ATOM 0 H SER A 17 -19.766 3.904 -10.716 1.00 0.00 H new ATOM 0 HA SER A 17 -19.103 6.816 -11.114 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.197 4.856 -11.291 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.874 4.765 -12.905 1.00 0.00 H new ATOM 0 HG SER A 17 -16.108 6.408 -12.441 1.00 0.00 H new ATOM 273 N VAL A 18 -21.017 6.727 -12.722 1.00 0.00 N ATOM 274 CA VAL A 18 -22.091 6.698 -13.744 1.00 0.00 C ATOM 275 C VAL A 18 -22.014 7.963 -14.586 1.00 0.00 C ATOM 276 O VAL A 18 -22.581 8.994 -14.281 1.00 0.00 O ATOM 277 CB VAL A 18 -23.454 6.626 -13.040 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.657 5.229 -12.449 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.501 7.662 -11.913 1.00 0.00 C ATOM 0 H VAL A 18 -20.958 7.592 -12.184 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.969 5.827 -14.388 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.243 6.832 -13.763 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.625 5.182 -11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.624 4.488 -13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.867 5.021 -11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.468 7.612 -11.413 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.709 7.453 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.359 8.659 -12.329 1.00 0.00 H new ATOM 289 N THR A 19 -21.335 7.838 -15.668 1.00 38.32 N ATOM 290 CA THR A 19 -21.185 8.957 -16.643 1.00 37.06 C ATOM 291 C THR A 19 -21.167 8.351 -18.037 1.00 36.60 C ATOM 292 O THR A 19 -21.705 7.289 -18.280 1.00 36.42 O ATOM 293 CB THR A 19 -19.866 9.728 -16.402 1.00 37.05 C ATOM 294 OG1 THR A 19 -19.522 9.650 -15.027 1.00 37.96 O ATOM 295 CG2 THR A 19 -20.035 11.202 -16.796 1.00 37.86 C ATOM 0 H THR A 19 -20.855 6.980 -15.939 1.00 38.32 H new ATOM 0 HA THR A 19 -22.010 9.659 -16.527 1.00 37.06 H new ATOM 0 HB THR A 19 -19.078 9.283 -17.010 1.00 37.05 H new ATOM 0 HG1 THR A 19 -19.027 10.455 -14.767 1.00 37.96 H new ATOM 0 HG21 THR A 19 -19.100 11.735 -16.622 1.00 37.86 H new ATOM 0 HG22 THR A 19 -20.299 11.269 -17.851 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.826 11.651 -16.195 1.00 37.86 H new ATOM 303 N GLU A 20 -20.519 9.002 -18.937 1.00 36.33 N ATOM 304 CA GLU A 20 -20.403 8.505 -20.284 1.00 36.39 C ATOM 305 C GLU A 20 -19.249 7.487 -20.286 1.00 30.94 C ATOM 306 O GLU A 20 -19.399 6.365 -20.729 1.00 31.73 O ATOM 307 CB GLU A 20 -20.151 9.741 -21.155 1.00 41.00 C ATOM 308 CG GLU A 20 -21.376 10.581 -21.162 1.00 49.07 C ATOM 309 CD GLU A 20 -21.130 11.877 -21.937 1.00 52.00 C ATOM 310 OE1 GLU A 20 -20.039 12.030 -22.463 1.00 55.13 O ATOM 311 OE2 GLU A 20 -22.034 12.693 -21.991 1.00 54.38 O ATOM 0 H GLU A 20 -20.051 9.893 -18.772 1.00 36.33 H new ATOM 0 HA GLU A 20 -21.282 7.989 -20.670 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -19.306 10.310 -20.767 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -19.894 9.441 -22.171 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -22.200 10.030 -21.615 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -21.672 10.812 -20.139 1.00 49.07 H new ATOM 318 N GLU A 21 -18.091 7.890 -19.827 1.00 0.00 N ATOM 319 CA GLU A 21 -16.912 7.011 -19.822 1.00 0.00 C ATOM 320 C GLU A 21 -16.550 6.588 -18.380 1.00 0.00 C ATOM 321 O GLU A 21 -15.400 6.347 -18.073 1.00 0.00 O ATOM 322 CB GLU A 21 -15.790 7.851 -20.438 1.00 0.00 C ATOM 323 CG GLU A 21 -16.104 8.100 -21.904 1.00 0.00 C ATOM 324 CD GLU A 21 -15.035 9.004 -22.524 1.00 0.00 C ATOM 325 OE1 GLU A 21 -14.122 9.386 -21.810 1.00 0.00 O ATOM 326 OE2 GLU A 21 -15.147 9.296 -23.702 1.00 0.00 O ATOM 0 H GLU A 21 -17.923 8.822 -19.447 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.086 6.090 -20.378 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.695 8.798 -19.908 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.836 7.334 -20.340 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.146 7.152 -22.441 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.085 8.565 -22.000 1.00 0.00 H new ATOM 333 N GLU A 22 -17.513 6.508 -17.494 1.00 0.00 N ATOM 334 CA GLU A 22 -17.212 6.116 -16.072 1.00 0.00 C ATOM 335 C GLU A 22 -17.559 4.626 -15.858 1.00 0.00 C ATOM 336 O GLU A 22 -18.418 4.078 -16.521 1.00 0.00 O ATOM 337 CB GLU A 22 -18.043 7.023 -15.136 1.00 0.00 C ATOM 338 CG GLU A 22 -17.181 8.181 -14.592 1.00 0.00 C ATOM 339 CD GLU A 22 -16.737 9.079 -15.747 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.930 8.686 -16.887 1.00 0.00 O ATOM 341 OE2 GLU A 22 -16.214 10.147 -15.475 1.00 0.00 O ATOM 0 H GLU A 22 -18.496 6.696 -17.690 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.152 6.245 -15.851 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.900 7.424 -15.677 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.436 6.435 -14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.750 8.761 -13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.310 7.785 -14.071 1.00 0.00 H new ATOM 348 N LEU A 23 -16.864 3.964 -14.949 1.00 11.68 N ATOM 349 CA LEU A 23 -17.108 2.496 -14.694 1.00 7.71 C ATOM 350 C LEU A 23 -17.738 2.281 -13.309 1.00 8.71 C ATOM 351 O LEU A 23 -17.086 2.446 -12.298 1.00 10.83 O ATOM 352 CB LEU A 23 -15.746 1.758 -14.728 1.00 7.16 C ATOM 353 CG LEU A 23 -15.891 0.226 -14.941 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.124 -0.345 -14.235 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.980 -0.099 -16.429 1.00 2.00 C ATOM 0 H LEU A 23 -16.135 4.380 -14.370 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.786 2.113 -15.457 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -15.133 2.174 -15.528 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.216 1.941 -13.793 1.00 7.16 H new ATOM 0 HG LEU A 23 -15.004 -0.235 -14.507 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.181 -1.419 -14.414 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.048 -0.159 -13.164 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -18.021 0.136 -14.624 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -16.081 -1.176 -16.561 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.847 0.402 -16.860 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -15.076 0.245 -16.931 1.00 2.00 H new ATOM 367 N ASN A 24 -18.977 1.868 -13.250 1.00 0.00 N ATOM 368 CA ASN A 24 -19.611 1.586 -11.922 1.00 0.00 C ATOM 369 C ASN A 24 -19.455 0.087 -11.679 1.00 0.00 C ATOM 370 O ASN A 24 -19.789 -0.709 -12.533 1.00 0.00 O ATOM 371 CB ASN A 24 -21.105 1.948 -11.962 1.00 0.00 C ATOM 372 CG ASN A 24 -21.830 1.328 -10.765 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.955 0.886 -10.882 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.227 1.276 -9.607 1.00 0.00 N ATOM 0 H ASN A 24 -19.578 1.713 -14.059 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.143 2.172 -11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.225 3.031 -11.948 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.549 1.590 -12.891 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.701 0.865 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.282 1.647 -9.507 1.00 0.00 H new ATOM 381 N PHE A 25 -18.927 -0.330 -10.555 1.00 6.72 N ATOM 382 CA PHE A 25 -18.754 -1.792 -10.356 1.00 6.82 C ATOM 383 C PHE A 25 -18.781 -2.146 -8.879 1.00 7.56 C ATOM 384 O PHE A 25 -18.271 -1.431 -8.039 1.00 6.07 O ATOM 385 CB PHE A 25 -17.435 -2.251 -10.996 1.00 9.59 C ATOM 386 CG PHE A 25 -16.223 -1.484 -10.459 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.117 -0.084 -10.594 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.171 -2.191 -9.862 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.977 0.581 -10.125 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.034 -1.520 -9.404 1.00 11.14 C ATOM 391 CZ PHE A 25 -13.939 -0.136 -9.532 1.00 12.44 C ATOM 0 H PHE A 25 -18.617 0.265 -9.787 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.583 -2.310 -10.839 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.297 -3.316 -10.812 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.494 -2.119 -12.076 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.915 0.475 -11.059 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.239 -3.263 -9.755 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.902 1.654 -10.223 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.227 -2.076 -8.950 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.062 0.381 -9.172 1.00 12.44 H new ATOM 401 N GLU A 26 -19.381 -3.260 -8.566 1.00 0.00 N ATOM 402 CA GLU A 26 -19.458 -3.697 -7.151 1.00 0.00 C ATOM 403 C GLU A 26 -18.167 -4.427 -6.806 1.00 0.00 C ATOM 404 O GLU A 26 -17.487 -4.942 -7.671 1.00 0.00 O ATOM 405 CB GLU A 26 -20.671 -4.623 -6.955 1.00 0.00 C ATOM 406 CG GLU A 26 -20.406 -6.009 -7.566 1.00 0.00 C ATOM 407 CD GLU A 26 -19.884 -5.854 -8.994 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.472 -5.087 -9.738 1.00 0.00 O ATOM 409 OE2 GLU A 26 -18.905 -6.503 -9.322 1.00 0.00 O ATOM 0 H GLU A 26 -19.823 -3.888 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.580 -2.836 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.888 -4.725 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.552 -4.179 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.680 -6.551 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.323 -6.598 -7.566 1.00 0.00 H new ATOM 416 N LYS A 27 -17.815 -4.467 -5.564 1.00 8.66 N ATOM 417 CA LYS A 27 -16.568 -5.152 -5.185 1.00 8.68 C ATOM 418 C LYS A 27 -16.596 -6.591 -5.701 1.00 6.65 C ATOM 419 O LYS A 27 -17.638 -7.208 -5.791 1.00 10.38 O ATOM 420 CB LYS A 27 -16.440 -5.107 -3.664 1.00 12.96 C ATOM 421 CG LYS A 27 -17.434 -6.087 -2.997 1.00 12.48 C ATOM 422 CD LYS A 27 -16.729 -7.410 -2.638 1.00 20.52 C ATOM 423 CE LYS A 27 -16.009 -7.271 -1.292 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.009 -7.330 -0.188 1.00 29.03 N ATOM 0 H LYS A 27 -18.339 -4.053 -4.793 1.00 8.66 H new ATOM 0 HA LYS A 27 -15.704 -4.658 -5.629 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -15.421 -5.362 -3.373 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -16.629 -4.094 -3.309 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -17.851 -5.635 -2.097 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.268 -6.284 -3.671 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -17.458 -8.219 -2.588 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.014 -7.674 -3.417 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -15.275 -8.068 -1.176 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -15.464 -6.328 -1.254 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -16.525 -7.542 0.708 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -17.495 -6.414 -0.111 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -17.706 -8.075 -0.390 1.00 29.03 H new ATOM 438 N GLY A 28 -15.458 -7.120 -6.064 1.00 5.06 N ATOM 439 CA GLY A 28 -15.417 -8.511 -6.598 1.00 4.39 C ATOM 440 C GLY A 28 -15.725 -8.486 -8.097 1.00 6.18 C ATOM 441 O GLY A 28 -16.488 -9.293 -8.591 1.00 5.61 O ATOM 0 H GLY A 28 -14.555 -6.648 -6.014 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -14.435 -8.951 -6.424 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.143 -9.135 -6.076 1.00 4.39 H new ATOM 445 N GLU A 29 -15.142 -7.560 -8.822 1.00 7.06 N ATOM 446 CA GLU A 29 -15.396 -7.462 -10.298 1.00 6.19 C ATOM 447 C GLU A 29 -14.079 -7.653 -11.056 1.00 6.67 C ATOM 448 O GLU A 29 -13.183 -6.837 -10.977 1.00 8.12 O ATOM 449 CB GLU A 29 -15.949 -6.059 -10.618 1.00 6.64 C ATOM 450 CG GLU A 29 -16.627 -5.972 -12.021 1.00 9.52 C ATOM 451 CD GLU A 29 -16.285 -7.175 -12.912 1.00 8.21 C ATOM 452 OE1 GLU A 29 -16.953 -8.190 -12.788 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.368 -7.057 -13.704 1.00 8.99 O ATOM 0 H GLU A 29 -14.496 -6.862 -8.453 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.110 -8.229 -10.597 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -16.673 -5.778 -9.853 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.136 -5.335 -10.569 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -17.708 -5.912 -11.896 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.312 -5.054 -12.518 1.00 9.52 H new ATOM 460 N THR A 30 -13.965 -8.703 -11.811 1.00 0.00 N ATOM 461 CA THR A 30 -12.720 -8.922 -12.598 1.00 0.00 C ATOM 462 C THR A 30 -12.727 -7.927 -13.743 1.00 0.00 C ATOM 463 O THR A 30 -13.501 -8.071 -14.666 1.00 0.00 O ATOM 464 CB THR A 30 -12.758 -10.326 -13.204 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.220 -11.252 -12.229 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.360 -10.720 -13.669 1.00 0.00 C ATOM 0 H THR A 30 -14.680 -9.422 -11.920 1.00 0.00 H new ATOM 0 HA THR A 30 -11.840 -8.805 -11.965 1.00 0.00 H new ATOM 0 HB THR A 30 -13.436 -10.335 -14.058 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.246 -12.151 -12.618 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.389 -11.721 -14.101 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.013 -10.011 -14.420 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.678 -10.711 -12.819 1.00 0.00 H new ATOM 474 N MET A 31 -11.892 -6.925 -13.715 1.00 0.00 N ATOM 475 CA MET A 31 -11.902 -5.948 -14.841 1.00 0.00 C ATOM 476 C MET A 31 -10.700 -6.160 -15.739 1.00 0.00 C ATOM 477 O MET A 31 -9.576 -6.333 -15.314 1.00 0.00 O ATOM 478 CB MET A 31 -11.982 -4.513 -14.303 1.00 0.00 C ATOM 479 CG MET A 31 -13.412 -4.254 -13.748 1.00 0.00 C ATOM 480 SD MET A 31 -13.315 -3.713 -12.020 1.00 0.00 S ATOM 481 CE MET A 31 -12.850 -1.998 -12.356 1.00 0.00 C ATOM 0 H MET A 31 -11.214 -6.741 -12.975 1.00 0.00 H new ATOM 0 HA MET A 31 -12.790 -6.114 -15.451 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.241 -4.365 -13.517 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.752 -3.801 -15.096 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.912 -3.494 -14.348 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.010 -5.163 -13.821 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.316 -1.591 -11.498 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.206 -1.961 -13.235 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.747 -1.407 -12.538 1.00 0.00 H new ATOM 491 N GLU A 32 -10.987 -6.169 -16.998 1.00 0.00 N ATOM 492 CA GLU A 32 -9.973 -6.389 -18.043 1.00 0.00 C ATOM 493 C GLU A 32 -9.429 -5.018 -18.448 1.00 0.00 C ATOM 494 O GLU A 32 -10.080 -4.253 -19.131 1.00 0.00 O ATOM 495 CB GLU A 32 -10.669 -7.110 -19.227 1.00 0.00 C ATOM 496 CG GLU A 32 -12.209 -7.106 -19.021 1.00 0.00 C ATOM 497 CD GLU A 32 -12.890 -7.574 -20.308 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.233 -7.572 -21.335 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.055 -7.929 -20.242 1.00 0.00 O ATOM 0 H GLU A 32 -11.930 -6.026 -17.360 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.141 -7.007 -17.704 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.418 -6.613 -20.164 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.307 -8.135 -19.303 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.479 -7.762 -18.193 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.550 -6.105 -18.758 1.00 0.00 H new ATOM 506 N VAL A 33 -8.258 -4.688 -17.984 1.00 0.00 N ATOM 507 CA VAL A 33 -7.688 -3.348 -18.284 1.00 0.00 C ATOM 508 C VAL A 33 -7.452 -3.164 -19.791 1.00 0.00 C ATOM 509 O VAL A 33 -6.400 -3.495 -20.303 1.00 0.00 O ATOM 510 CB VAL A 33 -6.360 -3.184 -17.539 1.00 0.00 C ATOM 511 CG1 VAL A 33 -6.024 -1.693 -17.411 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.484 -3.793 -16.139 1.00 0.00 C ATOM 0 H VAL A 33 -7.670 -5.290 -17.408 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.402 -2.592 -17.956 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.570 -3.691 -18.093 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.079 -1.577 -16.881 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.939 -1.253 -18.404 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.815 -1.188 -16.857 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.540 -3.677 -15.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.275 -3.283 -15.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.726 -4.853 -16.223 1.00 0.00 H new ATOM 522 N ILE A 34 -8.407 -2.619 -20.504 1.00 0.00 N ATOM 523 CA ILE A 34 -8.197 -2.404 -21.974 1.00 0.00 C ATOM 524 C ILE A 34 -6.984 -1.483 -22.207 1.00 0.00 C ATOM 525 O ILE A 34 -6.123 -1.777 -23.014 1.00 0.00 O ATOM 526 CB ILE A 34 -9.425 -1.733 -22.620 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.618 -2.700 -22.616 1.00 0.00 C ATOM 528 CG2 ILE A 34 -9.081 -1.341 -24.072 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.885 -1.992 -23.133 1.00 0.00 C ATOM 0 H ILE A 34 -9.311 -2.317 -20.141 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.033 -3.383 -22.424 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.692 -0.843 -22.050 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.396 -3.564 -23.242 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.789 -3.073 -21.606 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.946 -0.866 -24.535 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.241 -0.646 -24.072 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.813 -2.234 -24.636 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.722 -2.691 -23.124 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.115 -1.142 -22.490 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.716 -1.641 -24.151 1.00 0.00 H new ATOM 541 N GLU A 35 -6.931 -0.352 -21.545 1.00 0.00 N ATOM 542 CA GLU A 35 -5.799 0.601 -21.774 1.00 0.00 C ATOM 543 C GLU A 35 -5.457 1.345 -20.502 1.00 0.00 C ATOM 544 O GLU A 35 -6.249 1.446 -19.586 1.00 0.00 O ATOM 545 CB GLU A 35 -6.200 1.610 -22.864 1.00 0.00 C ATOM 546 CG GLU A 35 -4.949 2.206 -23.516 1.00 0.00 C ATOM 547 CD GLU A 35 -4.338 1.188 -24.482 1.00 0.00 C ATOM 548 OE1 GLU A 35 -5.071 0.669 -25.305 1.00 0.00 O ATOM 549 OE2 GLU A 35 -3.146 0.943 -24.379 1.00 0.00 O ATOM 0 H GLU A 35 -7.621 -0.048 -20.858 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.923 0.035 -22.090 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.813 1.117 -23.619 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.807 2.405 -22.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.206 3.121 -24.050 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.222 2.478 -22.751 1.00 0.00 H new ATOM 556 N LYS A 36 -4.248 1.844 -20.433 1.00 0.00 N ATOM 557 CA LYS A 36 -3.789 2.564 -19.217 1.00 0.00 C ATOM 558 C LYS A 36 -3.053 3.864 -19.596 1.00 0.00 C ATOM 559 O LYS A 36 -1.876 3.997 -19.319 1.00 0.00 O ATOM 560 CB LYS A 36 -2.821 1.628 -18.463 1.00 0.00 C ATOM 561 CG LYS A 36 -3.311 0.160 -18.542 1.00 0.00 C ATOM 562 CD LYS A 36 -2.685 -0.567 -19.747 1.00 0.00 C ATOM 563 CE LYS A 36 -3.467 -1.857 -20.043 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.906 -1.553 -20.279 1.00 0.00 N ATOM 0 H LYS A 36 -3.555 1.780 -21.179 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.645 2.830 -18.598 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.822 1.707 -18.892 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.746 1.937 -17.420 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.052 -0.364 -17.622 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.398 0.140 -18.625 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.696 0.084 -20.621 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.642 -0.804 -19.538 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.046 -2.352 -20.918 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.368 -2.549 -19.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.487 -2.356 -19.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.173 -0.702 -19.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.064 -1.389 -21.294 1.00 0.00 H new ATOM 578 N PRO A 37 -3.762 4.806 -20.180 1.00 0.00 N ATOM 579 CA PRO A 37 -3.172 6.102 -20.542 1.00 0.00 C ATOM 580 C PRO A 37 -2.990 6.933 -19.279 1.00 0.00 C ATOM 581 O PRO A 37 -3.551 6.647 -18.241 1.00 0.00 O ATOM 582 CB PRO A 37 -4.196 6.768 -21.472 1.00 0.00 C ATOM 583 CG PRO A 37 -5.511 5.972 -21.324 1.00 0.00 C ATOM 584 CD PRO A 37 -5.184 4.668 -20.551 1.00 0.00 C ATOM 0 HA PRO A 37 -2.199 6.002 -21.024 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.343 7.813 -21.200 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.848 6.753 -22.505 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.256 6.559 -20.787 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.932 5.742 -22.303 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.816 4.560 -19.669 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.349 3.787 -21.171 1.00 0.00 H new ATOM 592 N GLU A 38 -2.226 7.969 -19.374 1.00 0.00 N ATOM 593 CA GLU A 38 -2.012 8.853 -18.190 1.00 0.00 C ATOM 594 C GLU A 38 -3.053 9.970 -18.232 1.00 0.00 C ATOM 595 O GLU A 38 -3.699 10.256 -17.249 1.00 0.00 O ATOM 596 CB GLU A 38 -0.602 9.454 -18.250 1.00 0.00 C ATOM 597 CG GLU A 38 -0.263 10.148 -16.923 1.00 0.00 C ATOM 598 CD GLU A 38 -0.924 11.529 -16.860 1.00 0.00 C ATOM 599 OE1 GLU A 38 -1.415 11.982 -17.881 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.924 12.111 -15.788 1.00 0.00 O ATOM 0 H GLU A 38 -1.733 8.252 -20.221 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.113 8.283 -17.267 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.127 8.670 -18.455 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.539 10.170 -19.069 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.603 9.536 -16.088 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.818 10.250 -16.824 1.00 0.00 H new ATOM 607 N ASN A 39 -3.221 10.573 -19.388 1.00 0.00 N ATOM 608 CA ASN A 39 -4.216 11.672 -19.579 1.00 0.00 C ATOM 609 C ASN A 39 -3.931 12.814 -18.603 1.00 0.00 C ATOM 610 O ASN A 39 -3.655 13.929 -19.000 1.00 0.00 O ATOM 611 CB ASN A 39 -5.638 11.129 -19.352 1.00 0.00 C ATOM 612 CG ASN A 39 -6.112 10.381 -20.603 1.00 0.00 C ATOM 613 OD1 ASN A 39 -5.401 10.302 -21.584 1.00 0.00 O ATOM 614 ND2 ASN A 39 -7.292 9.826 -20.605 1.00 0.00 N ATOM 0 H ASN A 39 -2.693 10.339 -20.229 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.136 12.052 -20.597 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.649 10.461 -18.491 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.319 11.950 -19.127 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.618 9.325 -21.431 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.888 9.893 -19.780 1.00 0.00 H new ATOM 621 N ASP A 40 -3.963 12.520 -17.340 1.00 0.00 N ATOM 622 CA ASP A 40 -3.674 13.541 -16.291 1.00 0.00 C ATOM 623 C ASP A 40 -4.105 13.081 -14.873 1.00 0.00 C ATOM 624 O ASP A 40 -3.342 13.214 -13.936 1.00 0.00 O ATOM 625 CB ASP A 40 -4.285 14.938 -16.641 1.00 0.00 C ATOM 626 CG ASP A 40 -3.184 15.903 -17.105 1.00 0.00 C ATOM 627 OD1 ASP A 40 -2.250 15.445 -17.743 1.00 0.00 O ATOM 628 OD2 ASP A 40 -3.297 17.084 -16.817 1.00 0.00 O ATOM 0 H ASP A 40 -4.182 11.593 -16.976 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.590 13.651 -16.275 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.035 14.828 -17.424 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.793 15.349 -15.769 1.00 0.00 H new ATOM 633 N PRO A 41 -5.293 12.571 -14.753 1.00 0.00 N ATOM 634 CA PRO A 41 -5.832 12.106 -13.466 1.00 0.00 C ATOM 635 C PRO A 41 -5.072 10.855 -13.002 1.00 0.00 C ATOM 636 O PRO A 41 -4.478 10.861 -11.947 1.00 0.00 O ATOM 637 CB PRO A 41 -7.315 11.782 -13.760 1.00 0.00 C ATOM 638 CG PRO A 41 -7.534 11.983 -15.286 1.00 0.00 C ATOM 639 CD PRO A 41 -6.183 12.421 -15.886 1.00 0.00 C ATOM 0 HA PRO A 41 -5.730 12.844 -12.671 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.550 10.758 -13.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.973 12.436 -13.187 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.880 11.059 -15.750 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.299 12.738 -15.469 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.805 11.678 -16.588 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.282 13.357 -16.436 1.00 0.00 H new ATOM 647 N GLU A 42 -5.117 9.806 -13.812 1.00 0.00 N ATOM 648 CA GLU A 42 -4.434 8.485 -13.521 1.00 0.00 C ATOM 649 C GLU A 42 -5.440 7.341 -13.759 1.00 0.00 C ATOM 650 O GLU A 42 -5.187 6.197 -13.443 1.00 0.00 O ATOM 651 CB GLU A 42 -3.899 8.408 -12.072 1.00 0.00 C ATOM 652 CG GLU A 42 -5.066 8.351 -11.065 1.00 0.00 C ATOM 653 CD GLU A 42 -4.530 8.452 -9.632 1.00 0.00 C ATOM 654 OE1 GLU A 42 -3.604 9.217 -9.419 1.00 0.00 O ATOM 655 OE2 GLU A 42 -5.056 7.759 -8.775 1.00 0.00 O ATOM 0 H GLU A 42 -5.621 9.814 -14.699 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.577 8.394 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.269 7.526 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.273 9.276 -11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.764 9.165 -11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.619 7.420 -11.190 1.00 0.00 H new ATOM 662 N TRP A 43 -6.583 7.639 -14.325 1.00 14.29 N ATOM 663 CA TRP A 43 -7.601 6.575 -14.580 1.00 10.30 C ATOM 664 C TRP A 43 -7.144 5.657 -15.723 1.00 6.82 C ATOM 665 O TRP A 43 -6.224 5.968 -16.449 1.00 6.91 O ATOM 666 CB TRP A 43 -8.933 7.222 -14.945 1.00 13.39 C ATOM 667 CG TRP A 43 -9.240 8.345 -14.007 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.657 8.541 -12.803 1.00 13.93 C ATOM 669 CD2 TRP A 43 -10.205 9.423 -14.172 1.00 7.44 C ATOM 670 NE1 TRP A 43 -9.201 9.665 -12.223 1.00 6.63 N ATOM 671 CE2 TRP A 43 -10.155 10.246 -13.027 1.00 8.43 C ATOM 672 CE3 TRP A 43 -11.107 9.766 -15.196 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.968 11.366 -12.894 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.931 10.896 -15.067 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.860 11.696 -13.917 1.00 8.17 C ATOM 0 H TRP A 43 -6.855 8.576 -14.622 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.718 5.977 -13.676 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.895 7.594 -15.969 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.729 6.478 -14.905 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.890 7.918 -12.367 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.930 10.024 -11.308 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -11.166 9.157 -16.086 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.910 11.977 -12.005 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -12.622 11.150 -15.857 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -12.494 12.565 -13.823 1.00 8.17 H new ATOM 686 N TRP A 44 -7.788 4.520 -15.868 1.00 6.17 N ATOM 687 CA TRP A 44 -7.413 3.539 -16.942 1.00 5.58 C ATOM 688 C TRP A 44 -8.670 3.135 -17.723 1.00 6.91 C ATOM 689 O TRP A 44 -9.728 2.963 -17.149 1.00 8.86 O ATOM 690 CB TRP A 44 -6.879 2.244 -16.279 1.00 2.99 C ATOM 691 CG TRP A 44 -5.432 2.315 -15.854 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.549 3.325 -16.078 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.688 1.290 -15.126 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.327 2.977 -15.529 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.362 1.738 -14.935 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.039 0.028 -14.614 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.416 0.962 -14.264 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.090 -0.757 -13.939 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.781 -0.291 -13.766 1.00 11.72 C ATOM 0 H TRP A 44 -8.568 4.226 -15.280 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.669 3.997 -17.593 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.491 2.018 -15.406 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -7.000 1.416 -16.977 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.766 4.246 -16.598 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.498 3.570 -15.561 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.046 -0.340 -14.741 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.409 1.328 -14.131 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.371 -1.725 -13.551 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.054 -0.900 -13.248 1.00 11.72 H new ATOM 710 N LYS A 45 -8.560 2.902 -19.006 1.00 0.00 N ATOM 711 CA LYS A 45 -9.753 2.422 -19.747 1.00 0.00 C ATOM 712 C LYS A 45 -9.852 0.946 -19.435 1.00 0.00 C ATOM 713 O LYS A 45 -9.170 0.142 -20.033 1.00 0.00 O ATOM 714 CB LYS A 45 -9.598 2.581 -21.265 1.00 0.00 C ATOM 715 CG LYS A 45 -11.009 2.647 -21.920 1.00 0.00 C ATOM 716 CD LYS A 45 -10.882 2.967 -23.427 1.00 0.00 C ATOM 717 CE LYS A 45 -12.273 3.113 -24.058 1.00 0.00 C ATOM 718 NZ LYS A 45 -12.965 1.793 -24.043 1.00 0.00 N ATOM 0 H LYS A 45 -7.711 3.022 -19.559 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.631 2.996 -19.450 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.036 3.487 -21.492 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.033 1.744 -21.674 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.526 1.697 -21.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.611 3.411 -21.428 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.314 3.887 -23.564 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.329 2.173 -23.929 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.859 3.849 -23.507 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.184 3.477 -25.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.069 1.444 -25.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.405 1.113 -23.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.905 1.899 -23.611 1.00 0.00 H new ATOM 732 N CYS A 46 -10.655 0.574 -18.482 1.00 0.00 N ATOM 733 CA CYS A 46 -10.752 -0.866 -18.113 1.00 0.00 C ATOM 734 C CYS A 46 -12.140 -1.389 -18.396 1.00 0.00 C ATOM 735 O CYS A 46 -13.133 -0.838 -17.963 1.00 0.00 O ATOM 736 CB CYS A 46 -10.439 -1.030 -16.624 1.00 0.00 C ATOM 737 SG CYS A 46 -11.832 -0.426 -15.638 1.00 0.00 S ATOM 0 H CYS A 46 -11.249 1.203 -17.941 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.035 -1.433 -18.707 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.247 -2.079 -16.396 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.534 -0.478 -16.370 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.851 -0.206 -16.415 1.00 0.00 H new ATOM 743 N LYS A 47 -12.212 -2.474 -19.099 1.00 0.00 N ATOM 744 CA LYS A 47 -13.525 -3.071 -19.384 1.00 0.00 C ATOM 745 C LYS A 47 -13.899 -3.893 -18.166 1.00 0.00 C ATOM 746 O LYS A 47 -13.021 -4.400 -17.501 1.00 0.00 O ATOM 747 CB LYS A 47 -13.417 -3.989 -20.603 1.00 0.00 C ATOM 748 CG LYS A 47 -14.661 -4.880 -20.715 1.00 0.00 C ATOM 749 CD LYS A 47 -14.723 -5.504 -22.108 1.00 0.00 C ATOM 750 CE LYS A 47 -16.006 -6.326 -22.243 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.206 -6.715 -23.666 1.00 0.00 N ATOM 0 H LYS A 47 -11.412 -2.972 -19.489 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.271 -2.305 -19.593 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.308 -3.391 -21.508 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.524 -4.609 -20.521 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.629 -5.662 -19.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.560 -4.292 -20.529 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.697 -4.724 -22.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.853 -6.139 -22.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.946 -7.217 -21.618 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.859 -5.746 -21.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.079 -7.274 -23.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.282 -5.859 -24.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.397 -7.284 -23.987 1.00 0.00 H new ATOM 765 N ASN A 48 -15.162 -4.062 -17.845 1.00 0.00 N ATOM 766 CA ASN A 48 -15.462 -4.930 -16.649 1.00 0.00 C ATOM 767 C ASN A 48 -15.773 -6.330 -17.171 1.00 0.00 C ATOM 768 O ASN A 48 -16.549 -6.474 -18.086 1.00 0.00 O ATOM 769 CB ASN A 48 -16.587 -4.339 -15.756 1.00 0.00 C ATOM 770 CG ASN A 48 -18.014 -4.483 -16.313 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.863 -3.683 -15.985 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.351 -5.475 -17.079 1.00 0.00 N ATOM 0 H ASN A 48 -15.965 -3.661 -18.329 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.598 -4.976 -15.985 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.545 -4.823 -14.780 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.382 -3.280 -15.596 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.316 -5.571 -17.394 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.651 -6.159 -17.366 1.00 0.00 H new ATOM 779 N ALA A 49 -15.145 -7.386 -16.671 1.00 0.00 N ATOM 780 CA ALA A 49 -15.462 -8.719 -17.245 1.00 0.00 C ATOM 781 C ALA A 49 -16.977 -8.888 -17.237 1.00 0.00 C ATOM 782 O ALA A 49 -17.532 -9.690 -17.962 1.00 0.00 O ATOM 783 CB ALA A 49 -14.812 -9.830 -16.420 1.00 0.00 C ATOM 0 H ALA A 49 -14.455 -7.371 -15.920 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.074 -8.784 -18.262 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.056 -10.798 -16.857 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.730 -9.696 -16.417 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.185 -9.789 -15.397 1.00 0.00 H new ATOM 789 N ARG A 50 -17.656 -8.096 -16.444 1.00 0.00 N ATOM 790 CA ARG A 50 -19.135 -8.177 -16.425 1.00 0.00 C ATOM 791 C ARG A 50 -19.605 -7.746 -17.811 1.00 0.00 C ATOM 792 O ARG A 50 -20.769 -7.825 -18.157 1.00 0.00 O ATOM 793 CB ARG A 50 -19.705 -7.269 -15.305 1.00 0.00 C ATOM 794 CG ARG A 50 -20.042 -8.117 -14.053 1.00 0.00 C ATOM 795 CD ARG A 50 -20.150 -7.233 -12.777 1.00 0.00 C ATOM 796 NE ARG A 50 -21.468 -7.458 -12.082 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.610 -7.358 -12.716 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.647 -6.976 -13.959 1.00 0.00 N ATOM 799 NH2 ARG A 50 -23.723 -7.613 -12.083 1.00 0.00 N ATOM 0 H ARG A 50 -17.247 -7.404 -15.816 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.488 -9.185 -16.208 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.980 -6.498 -15.047 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.600 -6.759 -15.660 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -20.983 -8.644 -14.212 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.272 -8.875 -13.908 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.330 -7.466 -12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.051 -6.182 -13.048 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.471 -7.695 -11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -21.781 -6.751 -14.449 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.542 -6.902 -14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -23.700 -7.888 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.616 -7.537 -12.570 1.00 0.00 H new ATOM 813 N GLY A 51 -18.664 -7.335 -18.617 1.00 8.07 N ATOM 814 CA GLY A 51 -18.950 -6.934 -20.014 1.00 7.79 C ATOM 815 C GLY A 51 -19.196 -5.422 -20.148 1.00 9.08 C ATOM 816 O GLY A 51 -19.983 -5.008 -20.977 1.00 14.41 O ATOM 0 H GLY A 51 -17.682 -7.260 -18.352 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.113 -7.222 -20.651 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.825 -7.476 -20.373 1.00 7.79 H new ATOM 820 N GLN A 52 -18.537 -4.579 -19.367 1.00 0.00 N ATOM 821 CA GLN A 52 -18.776 -3.090 -19.521 1.00 0.00 C ATOM 822 C GLN A 52 -17.475 -2.298 -19.449 1.00 0.00 C ATOM 823 O GLN A 52 -16.466 -2.800 -19.052 1.00 0.00 O ATOM 824 CB GLN A 52 -19.841 -2.607 -18.494 1.00 0.00 C ATOM 825 CG GLN A 52 -19.311 -1.479 -17.590 1.00 0.00 C ATOM 826 CD GLN A 52 -20.330 -1.166 -16.512 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.684 -2.012 -15.716 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.822 0.034 -16.460 1.00 0.00 N ATOM 0 H GLN A 52 -17.863 -4.846 -18.649 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.178 -2.902 -20.517 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.725 -2.257 -19.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.154 -3.448 -17.876 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.367 -1.778 -17.135 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -19.111 -0.587 -18.184 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.519 0.739 -17.132 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.511 0.272 -15.747 1.00 0.00 H new ATOM 837 N VAL A 53 -17.492 -1.051 -19.883 1.00 0.00 N ATOM 838 CA VAL A 53 -16.231 -0.241 -19.881 1.00 0.00 C ATOM 839 C VAL A 53 -16.430 1.153 -19.288 1.00 0.00 C ATOM 840 O VAL A 53 -17.509 1.713 -19.294 1.00 0.00 O ATOM 841 CB VAL A 53 -15.722 -0.093 -21.326 1.00 0.00 C ATOM 842 CG1 VAL A 53 -14.248 0.318 -21.320 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.886 -1.416 -22.083 1.00 0.00 C ATOM 0 H VAL A 53 -18.319 -0.568 -20.234 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.508 -0.769 -19.259 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.308 0.677 -21.827 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.895 0.421 -22.346 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.138 1.270 -20.801 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.660 -0.444 -20.808 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.522 -1.299 -23.104 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.313 -2.196 -21.581 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.939 -1.696 -22.103 1.00 0.00 H new ATOM 853 N GLY A 54 -15.356 1.706 -18.781 1.00 3.62 N ATOM 854 CA GLY A 54 -15.394 3.066 -18.172 1.00 3.70 C ATOM 855 C GLY A 54 -14.047 3.357 -17.497 1.00 4.69 C ATOM 856 O GLY A 54 -13.323 2.455 -17.123 1.00 7.25 O ATOM 0 H GLY A 54 -14.438 1.261 -18.765 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.599 3.814 -18.938 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -16.201 3.128 -17.442 1.00 3.70 H new ATOM 860 N LEU A 55 -13.715 4.605 -17.325 1.00 0.00 N ATOM 861 CA LEU A 55 -12.423 4.962 -16.659 1.00 0.00 C ATOM 862 C LEU A 55 -12.543 4.650 -15.161 1.00 0.00 C ATOM 863 O LEU A 55 -13.619 4.691 -14.599 1.00 0.00 O ATOM 864 CB LEU A 55 -12.160 6.465 -16.876 1.00 0.00 C ATOM 865 CG LEU A 55 -11.377 6.691 -18.183 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.956 6.075 -18.097 1.00 0.00 C ATOM 867 CD2 LEU A 55 -12.159 6.066 -19.347 1.00 0.00 C ATOM 0 H LEU A 55 -14.283 5.400 -17.617 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.596 4.389 -17.078 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -13.106 7.004 -16.914 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.597 6.867 -16.034 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.263 7.762 -18.347 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.426 6.250 -19.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.407 6.539 -17.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.035 5.002 -17.919 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.612 6.221 -20.277 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.281 4.997 -19.171 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.140 6.536 -19.420 1.00 0.00 H new ATOM 879 N VAL A 56 -11.452 4.326 -14.507 1.00 0.00 N ATOM 880 CA VAL A 56 -11.529 4.000 -13.049 1.00 0.00 C ATOM 881 C VAL A 56 -10.146 4.248 -12.395 1.00 0.00 C ATOM 882 O VAL A 56 -9.149 3.855 -12.967 1.00 0.00 O ATOM 883 CB VAL A 56 -11.920 2.513 -12.910 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.710 1.606 -13.182 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.440 2.232 -11.501 1.00 0.00 C ATOM 0 H VAL A 56 -10.519 4.274 -14.917 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.269 4.628 -12.553 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.701 2.302 -13.640 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.007 0.562 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.344 1.781 -14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.919 1.830 -12.467 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.712 1.180 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.663 2.465 -10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.316 2.850 -11.307 1.00 0.00 H new ATOM 895 N PRO A 57 -10.091 4.859 -11.219 1.00 3.33 N ATOM 896 CA PRO A 57 -8.793 5.086 -10.559 1.00 2.75 C ATOM 897 C PRO A 57 -8.022 3.760 -10.507 1.00 4.32 C ATOM 898 O PRO A 57 -8.421 2.818 -9.852 1.00 4.76 O ATOM 899 CB PRO A 57 -9.144 5.614 -9.148 1.00 2.92 C ATOM 900 CG PRO A 57 -10.681 5.860 -9.115 1.00 3.30 C ATOM 901 CD PRO A 57 -11.261 5.364 -10.461 1.00 2.53 C ATOM 0 HA PRO A 57 -8.156 5.798 -11.083 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.854 4.892 -8.384 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.603 6.536 -8.937 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.137 5.326 -8.281 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.897 6.919 -8.972 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -12.001 4.578 -10.307 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.760 6.171 -10.997 1.00 2.53 H new ATOM 909 N LYS A 58 -6.932 3.683 -11.217 1.00 0.00 N ATOM 910 CA LYS A 58 -6.136 2.424 -11.246 1.00 0.00 C ATOM 911 C LYS A 58 -5.646 2.058 -9.839 1.00 0.00 C ATOM 912 O LYS A 58 -4.936 1.090 -9.657 1.00 0.00 O ATOM 913 CB LYS A 58 -4.941 2.627 -12.186 1.00 0.00 C ATOM 914 CG LYS A 58 -3.892 3.585 -11.552 1.00 0.00 C ATOM 915 CD LYS A 58 -2.675 3.753 -12.481 1.00 0.00 C ATOM 916 CE LYS A 58 -1.650 4.696 -11.842 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.472 4.835 -12.742 1.00 0.00 N ATOM 0 H LYS A 58 -6.555 4.444 -11.783 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.761 1.606 -11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.476 1.665 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.286 3.036 -13.136 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.348 4.557 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.568 3.191 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.218 2.782 -12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.995 4.150 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.101 5.672 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.337 4.307 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.223 5.475 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.037 3.902 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.778 5.225 -13.656 1.00 0.00 H new ATOM 931 N ASN A 59 -6.026 2.819 -8.844 1.00 10.56 N ATOM 932 CA ASN A 59 -5.590 2.515 -7.441 1.00 9.74 C ATOM 933 C ASN A 59 -6.744 1.842 -6.685 1.00 9.95 C ATOM 934 O ASN A 59 -6.585 1.384 -5.571 1.00 8.95 O ATOM 935 CB ASN A 59 -5.200 3.826 -6.740 1.00 10.40 C ATOM 936 CG ASN A 59 -3.927 4.391 -7.375 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.138 3.656 -7.939 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.691 5.672 -7.314 1.00 14.09 N ATOM 0 H ASN A 59 -6.622 3.641 -8.940 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.732 1.843 -7.456 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -6.011 4.549 -6.823 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.039 3.647 -5.677 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.847 6.056 -7.738 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.351 6.290 -6.842 1.00 14.09 H new ATOM 945 N TYR A 60 -7.904 1.784 -7.283 1.00 10.23 N ATOM 946 CA TYR A 60 -9.075 1.151 -6.604 1.00 5.50 C ATOM 947 C TYR A 60 -9.105 -0.352 -6.927 1.00 5.21 C ATOM 948 O TYR A 60 -10.055 -1.040 -6.615 1.00 7.16 O ATOM 949 CB TYR A 60 -10.368 1.808 -7.124 1.00 3.37 C ATOM 950 CG TYR A 60 -10.676 3.075 -6.350 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.648 3.953 -5.991 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.999 3.370 -6.003 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.943 5.125 -5.286 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.296 4.541 -5.299 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.267 5.420 -4.937 1.00 4.45 C ATOM 956 OH TYR A 60 -11.558 6.577 -4.243 1.00 9.52 O ATOM 0 H TYR A 60 -8.093 2.149 -8.217 1.00 10.23 H new ATOM 0 HA TYR A 60 -8.994 1.288 -5.526 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.263 2.040 -8.184 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.199 1.109 -7.032 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.626 3.726 -6.258 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.793 2.692 -6.280 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -9.149 5.803 -5.011 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.318 4.768 -5.034 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.523 6.628 -4.083 1.00 9.52 H new ATOM 966 N VAL A 61 -8.079 -0.858 -7.559 1.00 5.00 N ATOM 967 CA VAL A 61 -8.055 -2.310 -7.911 1.00 4.84 C ATOM 968 C VAL A 61 -6.614 -2.825 -7.866 1.00 5.03 C ATOM 969 O VAL A 61 -5.674 -2.069 -8.011 1.00 5.61 O ATOM 970 CB VAL A 61 -8.616 -2.496 -9.333 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.030 -1.919 -9.410 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.724 -1.766 -10.345 1.00 2.97 C ATOM 0 H VAL A 61 -7.256 -0.329 -7.847 1.00 5.00 H new ATOM 0 HA VAL A 61 -8.662 -2.867 -7.198 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.639 -3.561 -9.566 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.423 -2.053 -10.418 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.673 -2.436 -8.698 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.003 -0.856 -9.169 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.126 -1.902 -11.349 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.697 -0.703 -10.106 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.714 -2.174 -10.301 1.00 2.97 H new ATOM 982 N VAL A 62 -6.434 -4.110 -7.681 1.00 0.00 N ATOM 983 CA VAL A 62 -5.047 -4.688 -7.645 1.00 0.00 C ATOM 984 C VAL A 62 -4.815 -5.458 -8.941 1.00 0.00 C ATOM 985 O VAL A 62 -5.744 -5.816 -9.616 1.00 0.00 O ATOM 986 CB VAL A 62 -4.910 -5.649 -6.462 1.00 0.00 C ATOM 987 CG1 VAL A 62 -5.052 -4.874 -5.149 1.00 0.00 C ATOM 988 CG2 VAL A 62 -6.000 -6.717 -6.537 1.00 0.00 C ATOM 0 H VAL A 62 -7.186 -4.787 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.317 -3.886 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.930 -6.125 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.954 -5.561 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.273 -4.114 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.030 -4.395 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.899 -7.400 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.980 -6.240 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.900 -7.274 -7.468 1.00 0.00 H new ATOM 998 N VAL A 63 -3.582 -5.710 -9.290 1.00 0.00 N ATOM 999 CA VAL A 63 -3.279 -6.461 -10.555 1.00 0.00 C ATOM 1000 C VAL A 63 -2.795 -7.872 -10.216 1.00 0.00 C ATOM 1001 O VAL A 63 -1.969 -8.065 -9.347 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.192 -5.721 -11.336 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -0.926 -5.608 -10.482 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -1.873 -6.496 -12.617 1.00 0.00 C ATOM 0 H VAL A 63 -2.762 -5.428 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.183 -6.528 -11.161 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.546 -4.721 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.155 -5.080 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.151 -5.058 -9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.570 -6.606 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.098 -5.971 -13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.521 -7.495 -12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.772 -6.574 -13.228 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.314 -8.861 -10.904 1.00 0.00 N ATOM 1015 CA LEU A 64 -2.903 -10.276 -10.642 1.00 0.00 C ATOM 1016 C LEU A 64 -1.978 -10.751 -11.770 1.00 0.00 C ATOM 1017 O LEU A 64 -0.824 -11.065 -11.544 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.163 -11.160 -10.590 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.023 -10.807 -9.360 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.376 -11.548 -9.406 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -4.271 -11.186 -8.078 1.00 0.00 C ATOM 0 H LEU A 64 -4.010 -8.747 -11.641 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.372 -10.343 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.747 -11.024 -11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.875 -12.211 -10.550 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.215 -9.734 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.966 -11.284 -8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.918 -11.261 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.201 -12.624 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.881 -10.935 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.065 -12.256 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.331 -10.636 -8.031 1.00 0.00 H new ATOM 1033 N SER A 65 -2.468 -10.809 -12.982 1.00 0.00 N ATOM 1034 CA SER A 65 -1.601 -11.268 -14.110 1.00 0.00 C ATOM 1035 C SER A 65 -0.540 -10.206 -14.400 1.00 0.00 C ATOM 1036 O SER A 65 -0.741 -9.033 -14.167 1.00 0.00 O ATOM 1037 CB SER A 65 -2.456 -11.508 -15.359 1.00 0.00 C ATOM 1038 OG SER A 65 -3.322 -12.609 -15.126 1.00 0.00 O ATOM 0 H SER A 65 -3.423 -10.561 -13.239 1.00 0.00 H new ATOM 0 HA SER A 65 -1.111 -12.201 -13.834 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.037 -10.616 -15.594 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.817 -11.708 -16.219 1.00 0.00 H new ATOM 0 HG SER A 65 -2.790 -13.409 -14.935 1.00 0.00 H new ATOM 1044 N ASP A 66 0.598 -10.612 -14.904 1.00 0.00 N ATOM 1045 CA ASP A 66 1.681 -9.630 -15.206 1.00 0.00 C ATOM 1046 C ASP A 66 2.461 -10.099 -16.439 1.00 0.00 C ATOM 1047 O ASP A 66 2.535 -11.277 -16.726 1.00 0.00 O ATOM 1048 CB ASP A 66 2.628 -9.535 -14.009 1.00 0.00 C ATOM 1049 CG ASP A 66 1.970 -8.709 -12.899 1.00 0.00 C ATOM 1050 OD1 ASP A 66 1.042 -7.980 -13.203 1.00 0.00 O ATOM 1051 OD2 ASP A 66 2.407 -8.823 -11.767 1.00 0.00 O ATOM 0 H ASP A 66 0.823 -11.583 -15.119 1.00 0.00 H new ATOM 0 HA ASP A 66 1.244 -8.651 -15.402 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.867 -10.533 -13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.568 -9.073 -14.312 1.00 0.00 H new ATOM 1056 N GLY A 67 3.043 -9.186 -17.169 1.00 0.00 N ATOM 1057 CA GLY A 67 3.818 -9.581 -18.381 1.00 0.00 C ATOM 1058 C GLY A 67 5.237 -10.001 -17.972 1.00 0.00 C ATOM 1059 O GLY A 67 5.585 -11.160 -18.090 1.00 0.00 O ATOM 0 H GLY A 67 3.016 -8.184 -16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.318 -10.403 -18.893 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.863 -8.749 -19.083 1.00 0.00 H new ATOM 1063 N PRO A 68 6.023 -9.056 -17.497 1.00 0.00 N ATOM 1064 CA PRO A 68 7.405 -9.351 -17.069 1.00 0.00 C ATOM 1065 C PRO A 68 7.385 -10.401 -15.948 1.00 0.00 C ATOM 1066 O PRO A 68 7.279 -10.074 -14.782 1.00 0.00 O ATOM 1067 CB PRO A 68 7.967 -7.997 -16.572 1.00 0.00 C ATOM 1068 CG PRO A 68 6.827 -6.943 -16.699 1.00 0.00 C ATOM 1069 CD PRO A 68 5.611 -7.645 -17.349 1.00 0.00 C ATOM 0 HA PRO A 68 8.021 -9.762 -17.869 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.302 -8.077 -15.538 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.832 -7.700 -17.165 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.561 -6.546 -15.719 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.152 -6.099 -17.307 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.722 -7.556 -16.724 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.367 -7.201 -18.314 1.00 0.00 H new ATOM 1077 N ALA A 69 7.507 -11.660 -16.296 1.00 0.00 N ATOM 1078 CA ALA A 69 7.518 -12.744 -15.278 1.00 0.00 C ATOM 1079 C ALA A 69 8.888 -13.404 -15.308 1.00 0.00 C ATOM 1080 O ALA A 69 9.092 -14.430 -15.925 1.00 0.00 O ATOM 1081 CB ALA A 69 6.445 -13.781 -15.622 1.00 0.00 C ATOM 0 H ALA A 69 7.601 -11.981 -17.260 1.00 0.00 H new ATOM 0 HA ALA A 69 7.313 -12.337 -14.288 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.454 -14.575 -14.875 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.466 -13.302 -15.631 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.651 -14.205 -16.605 1.00 0.00 H new ATOM 1087 N LEU A 70 9.823 -12.814 -14.638 1.00 0.00 N ATOM 1088 CA LEU A 70 11.203 -13.378 -14.599 1.00 0.00 C ATOM 1089 C LEU A 70 11.285 -14.435 -13.499 1.00 0.00 C ATOM 1090 O LEU A 70 10.976 -14.176 -12.351 1.00 0.00 O ATOM 1091 CB LEU A 70 12.205 -12.252 -14.303 1.00 0.00 C ATOM 1092 CG LEU A 70 12.331 -11.314 -15.523 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.805 -9.931 -15.066 1.00 0.00 C ATOM 1094 CD2 LEU A 70 13.346 -11.881 -16.527 1.00 0.00 C ATOM 0 H LEU A 70 9.696 -11.953 -14.106 1.00 0.00 H new ATOM 0 HA LEU A 70 11.441 -13.833 -15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.878 -11.685 -13.431 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.179 -12.677 -14.060 1.00 0.00 H new ATOM 0 HG LEU A 70 11.355 -11.233 -16.001 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.893 -9.272 -15.930 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.084 -9.513 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.776 -10.022 -14.579 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.425 -11.210 -17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.320 -11.973 -16.047 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.014 -12.862 -16.865 1.00 0.00 H new ATOM 1106 N HIS A 71 11.699 -15.626 -13.834 1.00 0.00 N ATOM 1107 CA HIS A 71 11.801 -16.697 -12.801 1.00 0.00 C ATOM 1108 C HIS A 71 10.488 -16.776 -12.019 1.00 0.00 C ATOM 1109 CB HIS A 71 12.947 -16.374 -11.840 1.00 0.00 C ATOM 1110 CG HIS A 71 13.233 -17.572 -10.978 1.00 0.00 C ATOM 1111 ND1 HIS A 71 12.385 -18.668 -10.930 1.00 0.00 N ATOM 1112 CD2 HIS A 71 14.270 -17.861 -10.124 1.00 0.00 C ATOM 1113 CE1 HIS A 71 12.921 -19.557 -10.074 1.00 0.00 C ATOM 1114 NE2 HIS A 71 14.071 -19.116 -9.556 1.00 0.00 N ATOM 0 H HIS A 71 11.971 -15.904 -14.777 1.00 0.00 H new ATOM 0 HA HIS A 71 11.994 -17.653 -13.287 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.839 -16.096 -12.402 1.00 0.00 H new ATOM 0 HB3 HIS A 71 12.683 -15.519 -11.217 1.00 0.00 H new ATOM 0 HD2 HIS A 71 15.111 -17.213 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.476 -20.511 -9.835 1.00 0.00 H new ATOM 0 HE2 HIS A 71 14.674 -19.596 -8.888 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -15.511 -11.609 7.550 1.00 0.00 N ATOM 1124 CA GLY B 72 -14.555 -11.910 6.448 1.00 0.00 C ATOM 1125 C GLY B 72 -13.997 -10.602 5.883 1.00 0.00 C ATOM 1126 O GLY B 72 -14.062 -10.350 4.696 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.742 -12.534 6.818 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -15.057 -12.473 5.661 1.00 0.00 H new ATOM 1131 N SER B 73 -13.451 -9.768 6.724 1.00 0.00 N ATOM 1132 CA SER B 73 -12.891 -8.478 6.234 1.00 0.00 C ATOM 1133 C SER B 73 -11.518 -8.725 5.604 1.00 0.00 C ATOM 1134 O SER B 73 -10.848 -9.690 5.911 1.00 0.00 O ATOM 1135 CB SER B 73 -12.744 -7.507 7.409 1.00 0.00 C ATOM 1136 OG SER B 73 -13.929 -7.541 8.194 1.00 0.00 O ATOM 0 H SER B 73 -13.369 -9.924 7.729 1.00 0.00 H new ATOM 0 HA SER B 73 -13.562 -8.050 5.489 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.882 -7.781 8.018 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.566 -6.496 7.041 1.00 0.00 H new ATOM 0 HG SER B 73 -13.839 -6.922 8.949 1.00 0.00 H new ATOM 1142 N MET B 74 -11.095 -7.856 4.725 1.00 0.00 N ATOM 1143 CA MET B 74 -9.765 -8.042 4.076 1.00 0.00 C ATOM 1144 C MET B 74 -8.707 -8.304 5.149 1.00 0.00 C ATOM 1145 O MET B 74 -8.945 -8.122 6.326 1.00 0.00 O ATOM 1146 CB MET B 74 -9.400 -6.781 3.293 1.00 0.00 C ATOM 1147 CG MET B 74 -10.607 -6.319 2.475 1.00 0.00 C ATOM 1148 SD MET B 74 -10.087 -5.044 1.299 1.00 0.00 S ATOM 1149 CE MET B 74 -11.652 -4.139 1.239 1.00 0.00 C ATOM 0 H MET B 74 -11.611 -7.028 4.429 1.00 0.00 H new ATOM 0 HA MET B 74 -9.807 -8.892 3.394 1.00 0.00 H new ATOM 0 HB2 MET B 74 -9.089 -5.992 3.978 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.556 -6.982 2.633 1.00 0.00 H new ATOM 0 HG2 MET B 74 -11.044 -7.164 1.942 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.379 -5.926 3.136 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.536 -3.253 0.615 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.427 -4.780 0.819 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.937 -3.838 2.247 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.538 -8.727 4.752 1.00 0.00 N ATOM 1160 CA GLY B 75 -6.466 -8.999 5.751 1.00 0.00 C ATOM 1161 C GLY B 75 -5.141 -9.245 5.025 1.00 0.00 C ATOM 1162 O GLY B 75 -4.428 -10.184 5.318 1.00 0.00 O ATOM 0 H GLY B 75 -7.279 -8.896 3.780 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -6.368 -8.155 6.433 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.729 -9.868 6.355 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.806 -8.408 4.080 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.526 -8.596 3.337 1.00 0.00 C ATOM 1168 C VAL B 76 -3.063 -7.247 2.771 1.00 0.00 C ATOM 1169 O VAL B 76 -3.830 -6.558 2.128 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.749 -9.569 2.171 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.798 -9.231 1.023 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -3.475 -11.006 2.613 1.00 0.00 C ATOM 0 H VAL B 76 -5.362 -7.603 3.791 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.772 -8.995 4.015 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.785 -9.476 1.845 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.961 -9.925 0.199 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.986 -8.213 0.683 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.767 -9.314 1.368 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.638 -11.682 1.774 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.443 -11.092 2.953 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -4.148 -11.271 3.428 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.816 -6.921 2.998 1.00 0.00 N ATOM 1183 CA PRO B 77 -1.232 -5.679 2.487 1.00 0.00 C ATOM 1184 C PRO B 77 -0.996 -5.826 1.001 1.00 0.00 C ATOM 1185 O PRO B 77 -0.997 -6.913 0.465 1.00 0.00 O ATOM 1186 CB PRO B 77 0.102 -5.532 3.222 1.00 0.00 C ATOM 1187 CG PRO B 77 0.336 -6.841 4.012 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.883 -7.743 3.789 1.00 0.00 C ATOM 0 HA PRO B 77 -1.874 -4.812 2.644 1.00 0.00 H new ATOM 0 HB2 PRO B 77 0.914 -5.359 2.515 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.078 -4.675 3.896 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.246 -7.336 3.672 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.466 -6.629 5.073 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.609 -8.654 3.257 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -1.329 -8.048 4.736 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.800 -4.739 0.333 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.564 -4.813 -1.123 1.00 0.00 C ATOM 1198 C ILE B 78 0.595 -3.903 -1.493 1.00 0.00 C ATOM 1199 O ILE B 78 0.578 -2.709 -1.257 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.839 -4.423 -1.856 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.977 -5.253 -1.264 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.682 -4.738 -3.339 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.331 -4.760 -1.755 1.00 0.00 C ATOM 0 H ILE B 78 -0.793 -3.800 0.731 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.300 -5.829 -1.416 1.00 0.00 H new ATOM 0 HB ILE B 78 -2.047 -3.359 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.847 -6.300 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.941 -5.201 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.593 -4.460 -3.868 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.841 -4.175 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.499 -5.805 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -5.121 -5.370 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.469 -3.720 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.374 -4.837 -2.841 1.00 0.00 H new ATOM 1215 N CYS B 79 1.615 -4.482 -2.044 1.00 0.00 N ATOM 1216 CA CYS B 79 2.815 -3.699 -2.412 1.00 0.00 C ATOM 1217 C CYS B 79 2.436 -2.591 -3.383 1.00 0.00 C ATOM 1218 O CYS B 79 1.976 -2.832 -4.482 1.00 0.00 O ATOM 1219 CB CYS B 79 3.850 -4.629 -3.042 1.00 0.00 C ATOM 1220 SG CYS B 79 5.194 -3.658 -3.761 1.00 0.00 S ATOM 0 H CYS B 79 1.669 -5.478 -2.258 1.00 0.00 H new ATOM 0 HA CYS B 79 3.241 -3.243 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.245 -5.311 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.380 -5.242 -3.812 1.00 0.00 H new ATOM 1225 N GLY B 80 2.622 -1.373 -2.972 1.00 0.00 N ATOM 1226 CA GLY B 80 2.275 -0.226 -3.849 1.00 0.00 C ATOM 1227 C GLY B 80 3.177 -0.242 -5.082 1.00 0.00 C ATOM 1228 O GLY B 80 3.076 0.605 -5.947 1.00 0.00 O ATOM 0 H GLY B 80 3.002 -1.120 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.229 -0.286 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.398 0.711 -3.307 1.00 0.00 H new ATOM 1232 N ALA B 81 4.058 -1.198 -5.168 1.00 0.00 N ATOM 1233 CA ALA B 81 4.970 -1.267 -6.342 1.00 0.00 C ATOM 1234 C ALA B 81 4.288 -2.041 -7.467 1.00 0.00 C ATOM 1235 O ALA B 81 4.257 -1.611 -8.604 1.00 0.00 O ATOM 1236 CB ALA B 81 6.266 -1.972 -5.938 1.00 0.00 C ATOM 0 H ALA B 81 4.186 -1.935 -4.475 1.00 0.00 H new ATOM 0 HA ALA B 81 5.202 -0.260 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.935 -2.023 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.748 -1.415 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.039 -2.981 -5.594 1.00 0.00 H new ATOM 1242 N CYS B 82 3.742 -3.181 -7.155 1.00 0.00 N ATOM 1243 CA CYS B 82 3.054 -4.001 -8.193 1.00 0.00 C ATOM 1244 C CYS B 82 1.572 -4.109 -7.844 1.00 0.00 C ATOM 1245 O CYS B 82 0.823 -4.813 -8.494 1.00 0.00 O ATOM 1246 CB CYS B 82 3.676 -5.399 -8.225 1.00 0.00 C ATOM 1247 SG CYS B 82 4.048 -5.927 -6.535 1.00 0.00 S ATOM 0 H CYS B 82 3.742 -3.585 -6.218 1.00 0.00 H new ATOM 0 HA CYS B 82 3.165 -3.531 -9.170 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.991 -6.104 -8.696 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.586 -5.391 -8.824 1.00 0.00 H new ATOM 1252 N ARG B 83 1.143 -3.429 -6.814 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.288 -3.505 -6.421 1.00 0.00 C ATOM 1254 C ARG B 83 -0.665 -4.973 -6.249 1.00 0.00 C ATOM 1255 O ARG B 83 -1.728 -5.406 -6.647 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.161 -2.869 -7.509 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.927 -1.351 -7.541 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.783 -0.705 -8.641 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.584 0.781 -8.650 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.608 1.334 -9.321 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.316 0.599 -9.876 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -0.530 2.635 -9.396 1.00 0.00 N ATOM 0 H ARG B 83 1.723 -2.826 -6.231 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.447 -2.967 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.923 -3.304 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.212 -3.080 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.177 -0.917 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.128 -1.142 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -1.514 -1.121 -9.612 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.835 -0.937 -8.476 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.224 1.373 -8.121 1.00 0.00 H new ATOM 0 HH11 ARG B 83 0.281 -0.417 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.074 1.040 -10.398 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.229 3.215 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG B 83 0.230 3.071 -9.918 1.00 0.00 H new ATOM 1276 N ARG B 84 0.210 -5.741 -5.651 1.00 0.00 N ATOM 1277 CA ARG B 84 -0.077 -7.188 -5.436 1.00 0.00 C ATOM 1278 C ARG B 84 -0.153 -7.451 -3.928 1.00 0.00 C ATOM 1279 O ARG B 84 0.591 -6.857 -3.173 1.00 0.00 O ATOM 1280 CB ARG B 84 1.055 -8.026 -6.042 1.00 0.00 C ATOM 1281 CG ARG B 84 0.873 -8.123 -7.559 1.00 0.00 C ATOM 1282 CD ARG B 84 0.265 -9.480 -7.913 1.00 0.00 C ATOM 1283 NE ARG B 84 1.316 -10.532 -7.834 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.204 -11.623 -8.542 1.00 0.00 C ATOM 1285 NH1 ARG B 84 0.170 -11.791 -9.319 1.00 0.00 N ATOM 1286 NH2 ARG B 84 2.125 -12.543 -8.470 1.00 0.00 N ATOM 0 H ARG B 84 1.115 -5.425 -5.302 1.00 0.00 H new ATOM 0 HA ARG B 84 -1.020 -7.458 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.019 -7.573 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.057 -9.023 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.226 -7.320 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.833 -8.001 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG B 84 -0.551 -9.714 -7.229 1.00 0.00 H new ATOM 0 HD3 ARG B 84 -0.159 -9.450 -8.917 1.00 0.00 H new ATOM 0 HE ARG B 84 2.124 -10.400 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG B 84 -0.550 -11.070 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG B 84 0.081 -12.643 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.932 -12.410 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG B 84 2.038 -13.396 -9.023 1.00 0.00 H new ATOM 1300 N PRO B 85 -1.041 -8.328 -3.523 1.00 0.00 N ATOM 1301 CA PRO B 85 -1.203 -8.654 -2.097 1.00 0.00 C ATOM 1302 C PRO B 85 0.122 -9.132 -1.502 1.00 0.00 C ATOM 1303 O PRO B 85 0.629 -10.181 -1.847 1.00 0.00 O ATOM 1304 CB PRO B 85 -2.270 -9.761 -2.067 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.765 -9.984 -3.513 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.942 -9.062 -4.433 1.00 0.00 C ATOM 0 HA PRO B 85 -1.504 -7.792 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.852 -10.682 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -3.099 -9.474 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.640 -11.027 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.828 -9.756 -3.594 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.379 -9.637 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.586 -8.379 -4.988 1.00 0.00 H new ATOM 1314 N ILE B 86 0.683 -8.367 -0.599 1.00 0.00 N ATOM 1315 CA ILE B 86 1.973 -8.786 0.022 1.00 0.00 C ATOM 1316 C ILE B 86 1.708 -9.974 0.947 1.00 0.00 C ATOM 1317 O ILE B 86 0.589 -10.195 1.371 1.00 0.00 O ATOM 1318 CB ILE B 86 2.582 -7.615 0.805 1.00 0.00 C ATOM 1319 CG1 ILE B 86 2.923 -6.478 -0.166 1.00 0.00 C ATOM 1320 CG2 ILE B 86 3.863 -8.073 1.505 1.00 0.00 C ATOM 1321 CD1 ILE B 86 2.818 -5.130 0.556 1.00 0.00 C ATOM 0 H ILE B 86 0.306 -7.479 -0.268 1.00 0.00 H new ATOM 0 HA ILE B 86 2.682 -9.081 -0.751 1.00 0.00 H new ATOM 0 HB ILE B 86 1.864 -7.267 1.548 1.00 0.00 H new ATOM 0 HG12 ILE B 86 3.931 -6.613 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.243 -6.499 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.293 -7.239 2.060 1.00 0.00 H new ATOM 0 HG22 ILE B 86 3.631 -8.886 2.193 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.580 -8.421 0.761 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.061 -4.326 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.802 -4.994 0.927 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.516 -5.110 1.393 1.00 0.00 H new ATOM 1333 N GLU B 87 2.707 -10.759 1.254 1.00 0.00 N ATOM 1334 CA GLU B 87 2.460 -11.943 2.135 1.00 0.00 C ATOM 1335 C GLU B 87 3.769 -12.434 2.756 1.00 0.00 C ATOM 1336 O GLU B 87 4.188 -13.557 2.549 1.00 0.00 O ATOM 1337 CB GLU B 87 1.830 -13.068 1.308 1.00 0.00 C ATOM 1338 CG GLU B 87 2.493 -13.121 -0.070 1.00 0.00 C ATOM 1339 CD GLU B 87 2.173 -14.460 -0.739 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.096 -14.576 -1.299 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.012 -15.344 -0.680 1.00 0.00 O ATOM 0 H GLU B 87 3.670 -10.637 0.940 1.00 0.00 H new ATOM 0 HA GLU B 87 1.783 -11.650 2.938 1.00 0.00 H new ATOM 0 HB2 GLU B 87 1.953 -14.023 1.820 1.00 0.00 H new ATOM 0 HB3 GLU B 87 0.758 -12.899 1.202 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.136 -12.298 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU B 87 3.572 -13.000 0.029 1.00 0.00 H new ATOM 1348 N GLY B 88 4.407 -11.604 3.524 1.00 0.00 N ATOM 1349 CA GLY B 88 5.680 -12.000 4.186 1.00 0.00 C ATOM 1350 C GLY B 88 6.112 -10.852 5.082 1.00 0.00 C ATOM 1351 O GLY B 88 5.567 -10.641 6.147 1.00 0.00 O ATOM 0 H GLY B 88 4.098 -10.653 3.726 1.00 0.00 H new ATOM 0 HA2 GLY B 88 5.540 -12.909 4.770 1.00 0.00 H new ATOM 0 HA3 GLY B 88 6.447 -12.214 3.442 1.00 0.00 H new ATOM 1355 N ARG B 89 7.057 -10.084 4.636 1.00 0.00 N ATOM 1356 CA ARG B 89 7.505 -8.908 5.423 1.00 0.00 C ATOM 1357 C ARG B 89 7.100 -7.668 4.639 1.00 0.00 C ATOM 1358 O ARG B 89 7.466 -7.497 3.492 1.00 0.00 O ATOM 1359 CB ARG B 89 9.017 -8.948 5.614 1.00 0.00 C ATOM 1360 CG ARG B 89 9.371 -10.017 6.648 1.00 0.00 C ATOM 1361 CD ARG B 89 10.827 -9.835 7.095 1.00 0.00 C ATOM 1362 NE ARG B 89 11.518 -11.162 7.143 1.00 0.00 N ATOM 1363 CZ ARG B 89 10.938 -12.205 7.676 1.00 0.00 C ATOM 1364 NH1 ARG B 89 9.776 -12.090 8.256 1.00 0.00 N ATOM 1365 NH2 ARG B 89 11.538 -13.363 7.649 1.00 0.00 N ATOM 0 H ARG B 89 7.544 -10.221 3.751 1.00 0.00 H new ATOM 0 HA ARG B 89 7.049 -8.904 6.413 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.509 -9.167 4.666 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.379 -7.974 5.943 1.00 0.00 H new ATOM 0 HG2 ARG B 89 8.704 -9.942 7.507 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.232 -11.010 6.222 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.347 -9.170 6.406 1.00 0.00 H new ATOM 0 HD3 ARG B 89 10.858 -9.364 8.077 1.00 0.00 H new ATOM 0 HE ARG B 89 12.456 -11.254 6.754 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.314 -11.182 8.296 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.329 -12.908 8.670 1.00 0.00 H new ATOM 0 HH21 ARG B 89 12.456 -13.452 7.213 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.089 -14.180 8.064 1.00 0.00 H new ATOM 1379 N VAL B 90 6.304 -6.831 5.229 1.00 0.00 N ATOM 1380 CA VAL B 90 5.817 -5.624 4.501 1.00 0.00 C ATOM 1381 C VAL B 90 6.631 -4.389 4.870 1.00 0.00 C ATOM 1382 O VAL B 90 7.246 -4.323 5.918 1.00 0.00 O ATOM 1383 CB VAL B 90 4.352 -5.377 4.878 1.00 0.00 C ATOM 1384 CG1 VAL B 90 3.789 -4.203 4.066 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.529 -6.636 4.584 1.00 0.00 C ATOM 0 H VAL B 90 5.966 -6.926 6.187 1.00 0.00 H new ATOM 0 HA VAL B 90 5.921 -5.802 3.431 1.00 0.00 H new ATOM 0 HB VAL B 90 4.295 -5.138 5.940 1.00 0.00 H new ATOM 0 HG11 VAL B 90 2.748 -4.036 4.342 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.369 -3.304 4.276 1.00 0.00 H new ATOM 0 HG13 VAL B 90 3.850 -4.434 3.002 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.487 -6.460 4.852 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.595 -6.874 3.522 1.00 0.00 H new ATOM 0 HG23 VAL B 90 3.918 -7.470 5.168 1.00 0.00 H new ATOM 1395 N VAL B 91 6.604 -3.396 4.022 1.00 0.00 N ATOM 1396 CA VAL B 91 7.329 -2.132 4.305 1.00 0.00 C ATOM 1397 C VAL B 91 6.305 -1.010 4.266 1.00 0.00 C ATOM 1398 O VAL B 91 5.702 -0.749 3.247 1.00 0.00 O ATOM 1399 CB VAL B 91 8.413 -1.889 3.253 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.770 -0.398 3.217 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.659 -2.694 3.623 1.00 0.00 C ATOM 0 H VAL B 91 6.102 -3.411 3.134 1.00 0.00 H new ATOM 0 HA VAL B 91 7.818 -2.181 5.278 1.00 0.00 H new ATOM 0 HB VAL B 91 8.047 -2.199 2.274 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.542 -0.227 2.467 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.883 0.182 2.963 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.139 -0.088 4.195 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.436 -2.525 2.877 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.020 -2.376 4.601 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.411 -3.755 3.655 1.00 0.00 H new ATOM 1411 N ASN B 92 6.081 -0.353 5.363 1.00 0.00 N ATOM 1412 CA ASN B 92 5.073 0.736 5.370 1.00 0.00 C ATOM 1413 C ASN B 92 5.745 2.057 5.012 1.00 0.00 C ATOM 1414 O ASN B 92 6.463 2.639 5.800 1.00 0.00 O ATOM 1415 CB ASN B 92 4.441 0.835 6.755 1.00 0.00 C ATOM 1416 CG ASN B 92 3.596 -0.411 7.023 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.677 -0.375 7.818 1.00 0.00 O ATOM 1418 ND2 ASN B 92 3.868 -1.518 6.388 1.00 0.00 N ATOM 0 H ASN B 92 6.550 -0.521 6.253 1.00 0.00 H new ATOM 0 HA ASN B 92 4.297 0.519 4.636 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.217 0.931 7.514 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.820 1.729 6.820 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.309 -2.354 6.558 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.639 -1.547 5.721 1.00 0.00 H new ATOM 1425 N ALA B 93 5.513 2.532 3.821 1.00 0.00 N ATOM 1426 CA ALA B 93 6.132 3.814 3.392 1.00 0.00 C ATOM 1427 C ALA B 93 5.145 4.559 2.498 1.00 0.00 C ATOM 1428 O ALA B 93 4.234 3.975 1.949 1.00 0.00 O ATOM 1429 CB ALA B 93 7.410 3.523 2.604 1.00 0.00 C ATOM 0 H ALA B 93 4.918 2.084 3.124 1.00 0.00 H new ATOM 0 HA ALA B 93 6.376 4.420 4.265 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.865 4.462 2.289 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.110 2.975 3.235 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.168 2.925 1.726 1.00 0.00 H new ATOM 1435 N MET B 94 5.308 5.845 2.352 1.00 0.00 N ATOM 1436 CA MET B 94 4.363 6.611 1.496 1.00 0.00 C ATOM 1437 C MET B 94 2.961 6.413 2.048 1.00 0.00 C ATOM 1438 O MET B 94 1.970 6.640 1.384 1.00 0.00 O ATOM 1439 CB MET B 94 4.415 6.080 0.061 1.00 0.00 C ATOM 1440 CG MET B 94 5.867 5.865 -0.374 1.00 0.00 C ATOM 1441 SD MET B 94 6.620 7.463 -0.764 1.00 0.00 S ATOM 1442 CE MET B 94 8.275 7.116 -0.124 1.00 0.00 C ATOM 0 H MET B 94 6.050 6.394 2.786 1.00 0.00 H new ATOM 0 HA MET B 94 4.633 7.667 1.495 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.865 5.141 -0.007 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.927 6.784 -0.613 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.427 5.371 0.420 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.904 5.211 -1.245 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.803 8.054 0.047 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.195 6.569 0.815 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.826 6.516 -0.848 1.00 0.00 H new ATOM 1452 N GLY B 95 2.888 5.967 3.260 1.00 0.00 N ATOM 1453 CA GLY B 95 1.563 5.717 3.883 1.00 0.00 C ATOM 1454 C GLY B 95 0.940 4.504 3.198 1.00 0.00 C ATOM 1455 O GLY B 95 -0.264 4.345 3.149 1.00 0.00 O ATOM 0 H GLY B 95 3.692 5.762 3.854 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.673 5.536 4.952 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.919 6.590 3.772 1.00 0.00 H new ATOM 1459 N LYS B 96 1.769 3.658 2.654 1.00 0.00 N ATOM 1460 CA LYS B 96 1.274 2.448 1.940 1.00 0.00 C ATOM 1461 C LYS B 96 2.014 1.211 2.447 1.00 0.00 C ATOM 1462 O LYS B 96 2.513 1.173 3.551 1.00 0.00 O ATOM 1463 CB LYS B 96 1.549 2.618 0.440 1.00 0.00 C ATOM 1464 CG LYS B 96 0.756 3.816 -0.109 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.079 3.377 -1.318 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.675 4.607 -2.003 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.693 5.229 -1.108 1.00 0.00 N ATOM 0 H LYS B 96 2.784 3.755 2.674 1.00 0.00 H new ATOM 0 HA LYS B 96 0.206 2.326 2.119 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.615 2.770 0.273 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.269 1.710 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.105 4.219 0.667 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.439 4.614 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.543 2.823 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.875 2.705 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS B 96 0.112 5.326 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.133 4.323 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.206 5.970 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.364 4.502 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.219 5.650 -0.283 1.00 0.00 H new ATOM 1481 N GLN B 97 2.085 0.204 1.625 1.00 0.00 N ATOM 1482 CA GLN B 97 2.784 -1.054 1.990 1.00 0.00 C ATOM 1483 C GLN B 97 3.631 -1.451 0.782 1.00 0.00 C ATOM 1484 O GLN B 97 3.233 -1.228 -0.345 1.00 0.00 O ATOM 1485 CB GLN B 97 1.732 -2.124 2.282 1.00 0.00 C ATOM 1486 CG GLN B 97 1.155 -1.890 3.694 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.348 -2.200 3.726 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.989 -2.029 4.741 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.940 -2.650 2.654 1.00 0.00 N ATOM 0 H GLN B 97 1.676 0.202 0.691 1.00 0.00 H new ATOM 0 HA GLN B 97 3.414 -0.937 2.871 1.00 0.00 H new ATOM 0 HB2 GLN B 97 0.936 -2.082 1.538 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.177 -3.117 2.217 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.677 -2.521 4.414 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.324 -0.856 3.994 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.404 -2.795 1.798 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.939 -2.857 2.672 1.00 0.00 H new ATOM 1498 N TRP B 98 4.799 -1.995 0.975 1.00 0.00 N ATOM 1499 CA TRP B 98 5.643 -2.338 -0.206 1.00 0.00 C ATOM 1500 C TRP B 98 6.374 -3.661 0.020 1.00 0.00 C ATOM 1501 O TRP B 98 6.879 -3.919 1.094 1.00 0.00 O ATOM 1502 CB TRP B 98 6.668 -1.219 -0.403 1.00 0.00 C ATOM 1503 CG TRP B 98 5.955 0.090 -0.518 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.538 0.849 0.520 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.569 0.799 -1.724 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.912 1.981 0.022 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.907 1.994 -1.358 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.727 0.520 -3.085 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.420 2.880 -2.318 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.242 1.405 -4.055 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.587 2.583 -3.674 1.00 0.00 C ATOM 0 H TRP B 98 5.203 -2.215 1.885 1.00 0.00 H new ATOM 0 HA TRP B 98 5.010 -2.442 -1.087 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.363 -1.195 0.436 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.258 -1.405 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.671 0.612 1.565 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.505 2.714 0.604 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.228 -0.387 -3.391 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.918 3.788 -2.017 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.374 1.178 -5.103 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.212 3.261 -4.426 1.00 0.00 H new ATOM 1522 N HIS B 99 6.472 -4.492 -0.989 1.00 0.00 N ATOM 1523 CA HIS B 99 7.218 -5.768 -0.795 1.00 0.00 C ATOM 1524 C HIS B 99 8.619 -5.393 -0.326 1.00 0.00 C ATOM 1525 O HIS B 99 9.262 -4.537 -0.902 1.00 0.00 O ATOM 1526 CB HIS B 99 7.335 -6.543 -2.111 1.00 0.00 C ATOM 1527 CG HIS B 99 6.078 -7.320 -2.383 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.274 -7.056 -3.478 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.486 -8.367 -1.726 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.248 -7.925 -3.449 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.330 -8.750 -2.401 1.00 0.00 N ATOM 0 H HIS B 99 6.077 -4.345 -1.918 1.00 0.00 H new ATOM 0 HA HIS B 99 6.695 -6.398 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.525 -5.850 -2.931 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.186 -7.223 -2.064 1.00 0.00 H new ATOM 0 HD2 HIS B 99 5.859 -8.825 -0.822 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.456 -7.953 -4.182 1.00 0.00 H new ATOM 0 HE2 HIS B 99 3.685 -9.499 -2.150 1.00 0.00 H new ATOM 1539 N VAL B 100 9.107 -6.011 0.700 1.00 0.00 N ATOM 1540 CA VAL B 100 10.467 -5.668 1.174 1.00 0.00 C ATOM 1541 C VAL B 100 11.429 -5.777 -0.005 1.00 0.00 C ATOM 1542 O VAL B 100 12.552 -5.315 0.042 1.00 0.00 O ATOM 1543 CB VAL B 100 10.870 -6.651 2.268 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.391 -6.662 2.420 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.220 -6.223 3.583 1.00 0.00 C ATOM 0 H VAL B 100 8.627 -6.737 1.231 1.00 0.00 H new ATOM 0 HA VAL B 100 10.492 -4.655 1.575 1.00 0.00 H new ATOM 0 HB VAL B 100 10.536 -7.654 2.003 1.00 0.00 H new ATOM 0 HG11 VAL B 100 12.673 -7.366 3.203 1.00 0.00 H new ATOM 0 HG12 VAL B 100 12.849 -6.964 1.478 1.00 0.00 H new ATOM 0 HG13 VAL B 100 12.737 -5.664 2.688 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.502 -6.920 4.372 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.558 -5.221 3.846 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.136 -6.223 3.470 1.00 0.00 H new ATOM 1555 N GLU B 101 10.989 -6.406 -1.054 1.00 0.00 N ATOM 1556 CA GLU B 101 11.858 -6.581 -2.246 1.00 0.00 C ATOM 1557 C GLU B 101 11.580 -5.486 -3.282 1.00 0.00 C ATOM 1558 O GLU B 101 12.439 -5.147 -4.074 1.00 0.00 O ATOM 1559 CB GLU B 101 11.572 -7.954 -2.865 1.00 0.00 C ATOM 1560 CG GLU B 101 12.276 -8.080 -4.219 1.00 0.00 C ATOM 1561 CD GLU B 101 13.760 -7.742 -4.064 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.442 -8.473 -3.365 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.188 -6.758 -4.643 1.00 0.00 O ATOM 0 H GLU B 101 10.056 -6.810 -1.138 1.00 0.00 H new ATOM 0 HA GLU B 101 12.902 -6.511 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU B 101 11.914 -8.742 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.498 -8.087 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.163 -9.093 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.814 -7.409 -4.943 1.00 0.00 H new ATOM 1570 N HIS B 102 10.392 -4.935 -3.304 1.00 0.00 N ATOM 1571 CA HIS B 102 10.080 -3.877 -4.317 1.00 0.00 C ATOM 1572 C HIS B 102 10.222 -2.484 -3.707 1.00 0.00 C ATOM 1573 O HIS B 102 10.160 -1.493 -4.407 1.00 0.00 O ATOM 1574 CB HIS B 102 8.655 -4.064 -4.847 1.00 0.00 C ATOM 1575 CG HIS B 102 8.557 -5.388 -5.558 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.376 -6.122 -5.637 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.496 -6.124 -6.242 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.643 -7.236 -6.344 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.916 -7.287 -6.732 1.00 0.00 N ATOM 0 H HIS B 102 9.628 -5.169 -2.669 1.00 0.00 H new ATOM 0 HA HIS B 102 10.789 -3.971 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.941 -4.027 -4.024 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.399 -3.253 -5.528 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.529 -5.840 -6.378 1.00 0.00 H new ATOM 0 HE1 HIS B 102 6.912 -7.998 -6.570 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.369 -8.023 -7.274 1.00 0.00 H new ATOM 1587 N PHE B 103 10.449 -2.378 -2.428 1.00 0.00 N ATOM 1588 CA PHE B 103 10.628 -1.024 -1.845 1.00 0.00 C ATOM 1589 C PHE B 103 12.056 -0.604 -2.137 1.00 0.00 C ATOM 1590 O PHE B 103 12.996 -1.127 -1.576 1.00 0.00 O ATOM 1591 CB PHE B 103 10.383 -1.025 -0.338 1.00 0.00 C ATOM 1592 CG PHE B 103 10.241 0.409 0.124 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.210 1.210 -0.386 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.148 0.946 1.046 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.087 2.540 0.023 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.021 2.278 1.458 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.992 3.074 0.945 1.00 0.00 C ATOM 0 H PHE B 103 10.517 -3.156 -1.772 1.00 0.00 H new ATOM 0 HA PHE B 103 9.909 -0.332 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.482 -1.591 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.210 -1.510 0.180 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.509 0.798 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE B 103 11.945 0.333 1.439 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.293 3.156 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.718 2.691 2.172 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.896 4.102 1.261 1.00 0.00 H new ATOM 1607 N VAL B 104 12.229 0.297 -3.057 1.00 0.00 N ATOM 1608 CA VAL B 104 13.602 0.715 -3.441 1.00 0.00 C ATOM 1609 C VAL B 104 13.711 2.228 -3.520 1.00 0.00 C ATOM 1610 O VAL B 104 12.745 2.957 -3.398 1.00 0.00 O ATOM 1611 CB VAL B 104 13.909 0.158 -4.829 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.785 -1.375 -4.837 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.923 0.761 -5.835 1.00 0.00 C ATOM 0 H VAL B 104 11.476 0.764 -3.562 1.00 0.00 H new ATOM 0 HA VAL B 104 14.298 0.341 -2.690 1.00 0.00 H new ATOM 0 HB VAL B 104 14.931 0.421 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.008 -1.753 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.489 -1.801 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.770 -1.659 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.134 0.370 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.905 0.497 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL B 104 13.028 1.846 -5.842 1.00 0.00 H new ATOM 1623 N CYS B 105 14.901 2.692 -3.756 1.00 0.00 N ATOM 1624 CA CYS B 105 15.138 4.148 -3.890 1.00 0.00 C ATOM 1625 C CYS B 105 14.363 4.678 -5.091 1.00 0.00 C ATOM 1626 O CYS B 105 14.151 3.981 -6.063 1.00 0.00 O ATOM 1627 CB CYS B 105 16.633 4.366 -4.107 1.00 0.00 C ATOM 1628 SG CYS B 105 16.931 5.978 -4.872 1.00 0.00 S ATOM 0 H CYS B 105 15.733 2.112 -3.863 1.00 0.00 H new ATOM 0 HA CYS B 105 14.806 4.673 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.158 4.306 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS B 105 17.034 3.576 -4.742 1.00 0.00 H new ATOM 1633 N ALA B 106 13.928 5.903 -5.035 1.00 0.00 N ATOM 1634 CA ALA B 106 13.162 6.477 -6.171 1.00 0.00 C ATOM 1635 C ALA B 106 14.118 7.179 -7.140 1.00 0.00 C ATOM 1636 O ALA B 106 13.753 8.116 -7.821 1.00 0.00 O ATOM 1637 CB ALA B 106 12.150 7.479 -5.618 1.00 0.00 C ATOM 0 H ALA B 106 14.071 6.534 -4.247 1.00 0.00 H new ATOM 0 HA ALA B 106 12.642 5.684 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.579 7.910 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.472 6.971 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.676 8.272 -5.087 1.00 0.00 H new ATOM 1643 N LYS B 107 15.346 6.728 -7.206 1.00 0.00 N ATOM 1644 CA LYS B 107 16.338 7.363 -8.132 1.00 0.00 C ATOM 1645 C LYS B 107 17.184 6.285 -8.816 1.00 0.00 C ATOM 1646 O LYS B 107 17.632 6.453 -9.932 1.00 0.00 O ATOM 1647 CB LYS B 107 17.272 8.282 -7.336 1.00 0.00 C ATOM 1648 CG LYS B 107 18.238 9.002 -8.285 1.00 0.00 C ATOM 1649 CD LYS B 107 17.450 9.857 -9.288 1.00 0.00 C ATOM 1650 CE LYS B 107 18.280 11.080 -9.692 1.00 0.00 C ATOM 1651 NZ LYS B 107 18.154 12.133 -8.641 1.00 0.00 N ATOM 0 H LYS B 107 15.706 5.946 -6.658 1.00 0.00 H new ATOM 0 HA LYS B 107 15.795 7.937 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.687 9.012 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.834 7.699 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.919 9.632 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.849 8.273 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS B 107 17.204 9.265 -10.170 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.507 10.176 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS B 107 19.326 10.799 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.937 11.466 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 18.299 13.070 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 17.205 12.089 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.870 11.975 -7.903 1.00 0.00 H new ATOM 1665 N CYS B 108 17.428 5.191 -8.143 1.00 0.00 N ATOM 1666 CA CYS B 108 18.271 4.112 -8.744 1.00 0.00 C ATOM 1667 C CYS B 108 17.555 2.766 -8.642 1.00 0.00 C ATOM 1668 O CYS B 108 17.921 1.812 -9.297 1.00 0.00 O ATOM 1669 CB CYS B 108 19.586 4.039 -7.973 1.00 0.00 C ATOM 1670 SG CYS B 108 19.239 3.544 -6.271 1.00 0.00 S ATOM 0 H CYS B 108 17.081 4.997 -7.204 1.00 0.00 H new ATOM 0 HA CYS B 108 18.455 4.336 -9.795 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.260 3.323 -8.444 1.00 0.00 H new ATOM 0 HB3 CYS B 108 20.087 5.007 -7.989 1.00 0.00 H new ATOM 1675 N GLU B 109 16.544 2.681 -7.826 1.00 0.00 N ATOM 1676 CA GLU B 109 15.804 1.403 -7.676 1.00 0.00 C ATOM 1677 C GLU B 109 16.654 0.387 -6.918 1.00 0.00 C ATOM 1678 O GLU B 109 16.760 -0.758 -7.306 1.00 0.00 O ATOM 1679 CB GLU B 109 15.420 0.841 -9.052 1.00 0.00 C ATOM 1680 CG GLU B 109 14.980 1.983 -9.978 1.00 0.00 C ATOM 1681 CD GLU B 109 13.986 1.449 -11.014 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.822 1.320 -10.678 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.410 1.179 -12.126 1.00 0.00 O ATOM 0 H GLU B 109 16.197 3.450 -7.252 1.00 0.00 H new ATOM 0 HA GLU B 109 14.893 1.596 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.268 0.313 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.613 0.116 -8.946 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.520 2.781 -9.395 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.847 2.413 -10.479 1.00 0.00 H new ATOM 1690 N LYS B 110 17.238 0.793 -5.819 1.00 0.00 N ATOM 1691 CA LYS B 110 18.050 -0.158 -5.006 1.00 0.00 C ATOM 1692 C LYS B 110 17.190 -0.598 -3.812 1.00 0.00 C ATOM 1693 O LYS B 110 16.909 0.201 -2.941 1.00 0.00 O ATOM 1694 CB LYS B 110 19.317 0.540 -4.504 1.00 0.00 C ATOM 1695 CG LYS B 110 20.349 -0.510 -4.068 1.00 0.00 C ATOM 1696 CD LYS B 110 20.240 -0.755 -2.561 1.00 0.00 C ATOM 1697 CE LYS B 110 21.288 -1.785 -2.132 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.629 -1.361 -2.622 1.00 0.00 N ATOM 0 H LYS B 110 17.187 1.743 -5.451 1.00 0.00 H new ATOM 0 HA LYS B 110 18.346 -1.020 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.734 1.168 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.075 1.196 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.184 -1.441 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.354 -0.170 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.389 0.179 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.241 -1.112 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.298 -1.879 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.035 -2.766 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.363 -1.719 -1.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.787 -1.745 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.674 -0.322 -2.655 1.00 0.00 H new ATOM 1712 N PRO B 111 16.757 -1.840 -3.813 1.00 0.00 N ATOM 1713 CA PRO B 111 15.885 -2.358 -2.744 1.00 0.00 C ATOM 1714 C PRO B 111 16.617 -2.480 -1.415 1.00 0.00 C ATOM 1715 O PRO B 111 17.739 -2.937 -1.336 1.00 0.00 O ATOM 1716 CB PRO B 111 15.456 -3.747 -3.226 1.00 0.00 C ATOM 1717 CG PRO B 111 16.269 -4.073 -4.495 1.00 0.00 C ATOM 1718 CD PRO B 111 17.092 -2.824 -4.859 1.00 0.00 C ATOM 0 HA PRO B 111 15.046 -1.685 -2.567 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.638 -4.493 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.388 -3.764 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.925 -4.925 -4.320 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.605 -4.345 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.160 -3.042 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.832 -2.453 -5.850 1.00 0.00 H new ATOM 1726 N PHE B 112 15.953 -2.101 -0.363 1.00 0.00 N ATOM 1727 CA PHE B 112 16.563 -2.219 0.995 1.00 0.00 C ATOM 1728 C PHE B 112 16.097 -3.524 1.638 1.00 0.00 C ATOM 1729 O PHE B 112 15.522 -3.524 2.707 1.00 0.00 O ATOM 1730 CB PHE B 112 16.880 -0.872 2.634 1.00 0.00 C ATOM 1731 CG PHE B 112 15.958 0.187 1.044 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.775 0.391 0.328 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.981 1.137 0.996 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.617 1.550 -0.441 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.823 2.292 0.229 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.643 2.502 -0.489 1.00 0.00 C ATOM 0 H PHE B 112 15.010 -1.713 -0.381 1.00 0.00 H new ATOM 0 HA PHE B 112 17.517 -1.971 0.530 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.323 -1.026 3.558 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.901 -0.616 2.916 1.00 0.00 H new ATOM 0 HD1 PHE B 112 13.985 -0.344 0.368 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.893 0.978 1.552 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.705 1.710 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.615 3.025 0.190 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.522 3.398 -1.080 1.00 0.00 H new ATOM 1745 N LEU B 113 16.335 -4.634 0.998 1.00 0.00 N ATOM 1746 CA LEU B 113 15.898 -5.938 1.581 1.00 0.00 C ATOM 1747 C LEU B 113 16.128 -5.909 3.091 1.00 0.00 C ATOM 1748 O LEU B 113 15.224 -6.120 3.878 1.00 0.00 O ATOM 1749 CB LEU B 113 16.728 -7.069 0.965 1.00 0.00 C ATOM 1750 CG LEU B 113 16.060 -7.545 -0.328 1.00 0.00 C ATOM 1751 CD1 LEU B 113 15.942 -6.372 -1.281 1.00 0.00 C ATOM 1752 CD2 LEU B 113 16.906 -8.640 -0.981 1.00 0.00 C ATOM 0 H LEU B 113 16.812 -4.698 0.099 1.00 0.00 H new ATOM 0 HA LEU B 113 14.841 -6.103 1.371 1.00 0.00 H new ATOM 0 HB2 LEU B 113 17.740 -6.721 0.758 1.00 0.00 H new ATOM 0 HB3 LEU B 113 16.814 -7.897 1.669 1.00 0.00 H new ATOM 0 HG LEU B 113 15.072 -7.945 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.467 -6.701 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.338 -5.589 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU B 113 16.935 -5.982 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.424 -8.973 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU B 113 17.895 -8.246 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.002 -9.482 -0.296 1.00 0.00 H new ATOM 1764 N GLY B 114 17.332 -5.634 3.497 1.00 0.00 N ATOM 1765 CA GLY B 114 17.648 -5.566 4.951 1.00 0.00 C ATOM 1766 C GLY B 114 18.499 -4.326 5.217 1.00 0.00 C ATOM 1767 O GLY B 114 19.329 -4.309 6.106 1.00 0.00 O ATOM 0 H GLY B 114 18.122 -5.451 2.878 1.00 0.00 H new ATOM 0 HA2 GLY B 114 16.728 -5.524 5.535 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.182 -6.463 5.263 1.00 0.00 H new ATOM 1771 N HIS B 115 18.305 -3.290 4.445 1.00 0.00 N ATOM 1772 CA HIS B 115 19.106 -2.041 4.638 1.00 0.00 C ATOM 1773 C HIS B 115 18.185 -0.886 5.043 1.00 0.00 C ATOM 1774 O HIS B 115 16.984 -1.042 5.151 1.00 0.00 O ATOM 1775 CB HIS B 115 19.822 -1.689 3.327 1.00 0.00 C ATOM 1776 CG HIS B 115 20.164 -2.948 2.583 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.055 -3.044 1.204 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.612 -4.172 3.008 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.430 -4.289 0.854 1.00 0.00 C ATOM 1780 NE2 HIS B 115 20.780 -5.017 1.916 1.00 0.00 N ATOM 0 H HIS B 115 17.625 -3.253 3.686 1.00 0.00 H new ATOM 0 HA HIS B 115 19.841 -2.204 5.426 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.184 -1.054 2.712 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.729 -1.122 3.538 1.00 0.00 H new ATOM 0 HD2 HIS B 115 20.805 -4.440 4.036 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.446 -4.654 -0.162 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.102 -5.985 1.925 1.00 0.00 H new ATOM 1788 N ARG B 116 18.746 0.271 5.269 1.00 0.00 N ATOM 1789 CA ARG B 116 17.919 1.450 5.667 1.00 0.00 C ATOM 1790 C ARG B 116 17.563 2.265 4.422 1.00 0.00 C ATOM 1791 O ARG B 116 18.347 2.373 3.499 1.00 0.00 O ATOM 1792 CB ARG B 116 18.726 2.326 6.639 1.00 0.00 C ATOM 1793 CG ARG B 116 18.098 3.722 6.733 1.00 0.00 C ATOM 1794 CD ARG B 116 18.680 4.464 7.937 1.00 0.00 C ATOM 1795 NE ARG B 116 17.916 5.726 8.158 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.031 6.368 9.288 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.814 5.908 10.224 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.362 7.472 9.482 1.00 0.00 N ATOM 0 H ARG B 116 19.747 0.453 5.195 1.00 0.00 H new ATOM 0 HA ARG B 116 17.004 1.111 6.152 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.750 1.862 7.625 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.758 2.405 6.299 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.293 4.282 5.818 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.016 3.639 6.832 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.629 3.835 8.825 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.733 4.689 7.766 1.00 0.00 H new ATOM 0 HE ARG B 116 17.304 6.087 7.426 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.337 5.046 10.073 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.903 6.411 11.107 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.750 7.832 8.750 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.452 7.974 10.365 1.00 0.00 H new ATOM 1812 N HIS B 117 16.391 2.849 4.394 1.00 0.00 N ATOM 1813 CA HIS B 117 15.991 3.669 3.211 1.00 0.00 C ATOM 1814 C HIS B 117 15.803 5.118 3.637 1.00 0.00 C ATOM 1815 O HIS B 117 15.802 5.443 4.808 1.00 0.00 O ATOM 1816 CB HIS B 117 14.680 3.158 2.625 1.00 0.00 C ATOM 1817 CG HIS B 117 13.720 2.853 3.741 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.681 1.620 4.370 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.754 3.615 4.351 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.722 1.676 5.315 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.127 2.871 5.346 1.00 0.00 N ATOM 0 H HIS B 117 15.696 2.793 5.138 1.00 0.00 H new ATOM 0 HA HIS B 117 16.775 3.595 2.458 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.252 3.905 1.956 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.859 2.263 2.030 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.517 4.637 4.097 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.466 0.855 5.968 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.375 3.173 5.965 1.00 0.00 H new ATOM 1829 N TYR B 118 15.661 5.990 2.684 1.00 0.00 N ATOM 1830 CA TYR B 118 15.491 7.431 2.992 1.00 0.00 C ATOM 1831 C TYR B 118 14.317 7.980 2.173 1.00 0.00 C ATOM 1832 O TYR B 118 14.146 7.645 1.017 1.00 0.00 O ATOM 1833 CB TYR B 118 16.800 8.126 2.634 1.00 0.00 C ATOM 1834 CG TYR B 118 17.934 7.318 3.232 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.250 6.055 2.703 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.648 7.804 4.331 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.271 5.291 3.274 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.666 7.032 4.902 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.975 5.777 4.376 1.00 0.00 C ATOM 1840 OH TYR B 118 20.974 5.018 4.950 1.00 0.00 O ATOM 0 H TYR B 118 15.656 5.761 1.690 1.00 0.00 H new ATOM 0 HA TYR B 118 15.267 7.601 4.045 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.911 8.197 1.552 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.810 9.144 3.023 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.703 5.674 1.853 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.414 8.776 4.740 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.515 4.323 2.862 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.214 7.409 5.753 1.00 0.00 H new ATOM 0 HH TYR B 118 21.169 4.247 4.377 1.00 0.00 H new ATOM 1850 N GLU B 119 13.482 8.791 2.776 1.00 0.00 N ATOM 1851 CA GLU B 119 12.287 9.324 2.048 1.00 0.00 C ATOM 1852 C GLU B 119 12.467 10.801 1.698 1.00 0.00 C ATOM 1853 O GLU B 119 13.093 11.555 2.412 1.00 0.00 O ATOM 1854 CB GLU B 119 11.052 9.173 2.941 1.00 0.00 C ATOM 1855 CG GLU B 119 10.502 7.751 2.819 1.00 0.00 C ATOM 1856 CD GLU B 119 9.440 7.518 3.896 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.288 7.819 3.637 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.800 7.042 4.961 1.00 0.00 O ATOM 0 H GLU B 119 13.576 9.107 3.741 1.00 0.00 H new ATOM 0 HA GLU B 119 12.167 8.761 1.123 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.312 9.385 3.978 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.289 9.895 2.649 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.070 7.601 1.830 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.310 7.027 2.928 1.00 0.00 H new ATOM 1865 N ARG B 120 11.893 11.216 0.597 1.00 0.00 N ATOM 1866 CA ARG B 120 12.002 12.647 0.188 1.00 0.00 C ATOM 1867 C ARG B 120 10.781 13.056 -0.645 1.00 0.00 C ATOM 1868 O ARG B 120 10.419 12.405 -1.604 1.00 0.00 O ATOM 1869 CB ARG B 120 13.261 12.860 -0.648 1.00 0.00 C ATOM 1870 CG ARG B 120 13.432 14.357 -0.955 1.00 0.00 C ATOM 1871 CD ARG B 120 13.499 14.573 -2.467 1.00 0.00 C ATOM 1872 NE ARG B 120 12.348 13.895 -3.127 1.00 0.00 N ATOM 1873 CZ ARG B 120 12.051 14.172 -4.367 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.763 15.042 -5.030 1.00 0.00 N ATOM 1875 NH2 ARG B 120 11.042 13.576 -4.945 1.00 0.00 N ATOM 0 H ARG B 120 11.354 10.625 -0.036 1.00 0.00 H new ATOM 0 HA ARG B 120 12.051 13.257 1.090 1.00 0.00 H new ATOM 0 HB2 ARG B 120 14.133 12.487 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG B 120 13.192 12.294 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.599 14.921 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG B 120 14.341 14.732 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG B 120 13.482 15.639 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG B 120 14.437 14.180 -2.858 1.00 0.00 H new ATOM 0 HE ARG B 120 11.792 13.214 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG B 120 13.552 15.505 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG B 120 12.531 15.258 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG B 120 10.487 12.895 -4.427 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.809 13.792 -5.914 1.00 0.00 H new ATOM 1889 N LYS B 121 10.158 14.141 -0.280 1.00 0.00 N ATOM 1890 CA LYS B 121 8.970 14.628 -1.029 1.00 0.00 C ATOM 1891 C LYS B 121 7.971 13.498 -1.185 1.00 0.00 C ATOM 1892 O LYS B 121 7.135 13.508 -2.066 1.00 0.00 O ATOM 1893 CB LYS B 121 9.391 15.136 -2.409 1.00 0.00 C ATOM 1894 CG LYS B 121 10.217 16.415 -2.259 1.00 0.00 C ATOM 1895 CD LYS B 121 10.316 17.119 -3.613 1.00 0.00 C ATOM 1896 CE LYS B 121 11.096 18.424 -3.455 1.00 0.00 C ATOM 1897 NZ LYS B 121 10.260 19.418 -2.724 1.00 0.00 N ATOM 0 H LYS B 121 10.427 14.718 0.517 1.00 0.00 H new ATOM 0 HA LYS B 121 8.511 15.447 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.974 14.374 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS B 121 8.509 15.331 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.754 17.076 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS B 121 11.213 16.176 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.813 16.472 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS B 121 9.319 17.324 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS B 121 12.023 18.242 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS B 121 11.373 18.815 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 10.672 20.367 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 9.295 19.412 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 10.229 19.170 -1.714 1.00 0.00 H new ATOM 1911 N GLY B 122 8.041 12.524 -0.329 1.00 0.00 N ATOM 1912 CA GLY B 122 7.083 11.399 -0.428 1.00 0.00 C ATOM 1913 C GLY B 122 7.616 10.352 -1.396 1.00 0.00 C ATOM 1914 O GLY B 122 6.871 9.661 -2.060 1.00 0.00 O ATOM 0 H GLY B 122 8.717 12.459 0.432 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.928 10.954 0.555 1.00 0.00 H new ATOM 0 HA3 GLY B 122 6.114 11.763 -0.769 1.00 0.00 H new ATOM 1918 N LEU B 123 8.907 10.230 -1.476 1.00 0.00 N ATOM 1919 CA LEU B 123 9.516 9.223 -2.389 1.00 0.00 C ATOM 1920 C LEU B 123 10.755 8.641 -1.721 1.00 0.00 C ATOM 1921 O LEU B 123 11.485 9.327 -1.034 1.00 0.00 O ATOM 1922 CB LEU B 123 9.904 9.878 -3.715 1.00 0.00 C ATOM 1923 CG LEU B 123 8.690 9.971 -4.638 1.00 0.00 C ATOM 1924 CD1 LEU B 123 9.110 10.669 -5.932 1.00 0.00 C ATOM 1925 CD2 LEU B 123 8.167 8.560 -4.953 1.00 0.00 C ATOM 0 H LEU B 123 9.575 10.788 -0.944 1.00 0.00 H new ATOM 0 HA LEU B 123 8.795 8.431 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU B 123 10.307 10.874 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.692 9.299 -4.197 1.00 0.00 H new ATOM 0 HG LEU B 123 7.897 10.539 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU B 123 8.252 10.742 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.478 11.669 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.899 10.094 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU B 123 7.301 8.631 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.950 7.983 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.878 8.064 -4.026 1.00 0.00 H new ATOM 1937 N ALA B 124 10.990 7.375 -1.903 1.00 0.00 N ATOM 1938 CA ALA B 124 12.170 6.745 -1.259 1.00 0.00 C ATOM 1939 C ALA B 124 13.448 7.114 -2.001 1.00 0.00 C ATOM 1940 O ALA B 124 13.446 7.368 -3.188 1.00 0.00 O ATOM 1941 CB ALA B 124 12.023 5.227 -1.287 1.00 0.00 C ATOM 0 H ALA B 124 10.416 6.750 -2.469 1.00 0.00 H new ATOM 0 HA ALA B 124 12.227 7.104 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.891 4.769 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.121 4.939 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.952 4.887 -2.320 1.00 0.00 H new ATOM 1947 N TYR B 125 14.546 7.118 -1.301 1.00 0.00 N ATOM 1948 CA TYR B 125 15.840 7.436 -1.944 1.00 0.00 C ATOM 1949 C TYR B 125 16.951 6.767 -1.154 1.00 0.00 C ATOM 1950 O TYR B 125 16.921 6.739 0.053 1.00 0.00 O ATOM 1951 CB TYR B 125 16.064 8.939 -1.941 1.00 0.00 C ATOM 1952 CG TYR B 125 15.209 9.562 -3.001 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.633 9.567 -4.332 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.990 10.135 -2.651 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.823 10.148 -5.317 1.00 0.00 C ATOM 1956 CE2 TYR B 125 13.186 10.713 -3.625 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.597 10.721 -4.962 1.00 0.00 C ATOM 1958 OH TYR B 125 12.797 11.299 -5.927 1.00 0.00 O ATOM 0 H TYR B 125 14.598 6.912 -0.303 1.00 0.00 H new ATOM 0 HA TYR B 125 15.835 7.077 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.815 9.355 -0.964 1.00 0.00 H new ATOM 0 HB3 TYR B 125 17.115 9.163 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.581 9.125 -4.601 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.669 10.130 -1.620 1.00 0.00 H new ATOM 0 HE1 TYR B 125 15.144 10.153 -6.348 1.00 0.00 H new ATOM 0 HE2 TYR B 125 12.241 11.157 -3.349 1.00 0.00 H new ATOM 0 HH TYR B 125 11.857 11.218 -5.664 1.00 0.00 H new ATOM 1968 N CYS B 126 17.934 6.230 -1.806 1.00 0.00 N ATOM 1969 CA CYS B 126 19.021 5.587 -1.035 1.00 0.00 C ATOM 1970 C CYS B 126 19.621 6.626 -0.082 1.00 0.00 C ATOM 1971 O CYS B 126 19.246 7.781 -0.095 1.00 0.00 O ATOM 1972 CB CYS B 126 20.128 5.101 -1.970 1.00 0.00 C ATOM 1973 SG CYS B 126 19.530 3.733 -2.978 1.00 0.00 S ATOM 0 H CYS B 126 18.032 6.208 -2.821 1.00 0.00 H new ATOM 0 HA CYS B 126 18.613 4.737 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.458 5.918 -2.611 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.993 4.783 -1.388 1.00 0.00 H new ATOM 1978 N GLU B 127 20.564 6.229 0.719 1.00 0.00 N ATOM 1979 CA GLU B 127 21.210 7.197 1.655 1.00 0.00 C ATOM 1980 C GLU B 127 21.937 8.276 0.847 1.00 0.00 C ATOM 1981 O GLU B 127 22.006 9.424 1.238 1.00 0.00 O ATOM 1982 CB GLU B 127 22.246 6.466 2.512 1.00 0.00 C ATOM 1983 CG GLU B 127 22.753 7.398 3.618 1.00 0.00 C ATOM 1984 CD GLU B 127 23.470 6.575 4.691 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.904 5.478 4.379 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.571 7.056 5.807 1.00 0.00 O ATOM 0 H GLU B 127 20.920 5.274 0.770 1.00 0.00 H new ATOM 0 HA GLU B 127 20.444 7.646 2.288 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.803 5.572 2.951 1.00 0.00 H new ATOM 0 HB3 GLU B 127 23.079 6.137 1.891 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.433 8.140 3.199 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.919 7.943 4.060 1.00 0.00 H new ATOM 1993 N THR B 128 22.511 7.898 -0.260 1.00 0.00 N ATOM 1994 CA THR B 128 23.274 8.871 -1.093 1.00 0.00 C ATOM 1995 C THR B 128 22.359 9.606 -2.065 1.00 0.00 C ATOM 1996 O THR B 128 22.469 10.802 -2.235 1.00 0.00 O ATOM 1997 CB THR B 128 24.356 8.127 -1.878 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.294 7.565 -0.972 1.00 0.00 O ATOM 1999 CG2 THR B 128 25.071 9.102 -2.817 1.00 0.00 C ATOM 0 H THR B 128 22.484 6.947 -0.628 1.00 0.00 H new ATOM 0 HA THR B 128 23.728 9.607 -0.429 1.00 0.00 H new ATOM 0 HB THR B 128 23.897 7.332 -2.466 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.987 7.087 -1.473 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.841 8.570 -3.375 1.00 0.00 H new ATOM 0 HG22 THR B 128 24.350 9.532 -3.512 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.531 9.899 -2.233 1.00 0.00 H new ATOM 2007 N HIS B 129 21.465 8.923 -2.714 1.00 0.00 N ATOM 2008 CA HIS B 129 20.583 9.621 -3.670 1.00 0.00 C ATOM 2009 C HIS B 129 19.689 10.560 -2.886 1.00 0.00 C ATOM 2010 O HIS B 129 19.517 11.707 -3.239 1.00 0.00 O ATOM 2011 CB HIS B 129 19.760 8.603 -4.456 1.00 0.00 C ATOM 2012 CG HIS B 129 20.711 7.739 -5.255 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.556 6.359 -5.414 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.854 8.061 -5.946 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.582 5.924 -6.170 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.400 6.917 -6.520 1.00 0.00 N ATOM 0 H HIS B 129 21.310 7.919 -2.623 1.00 0.00 H new ATOM 0 HA HIS B 129 21.170 10.195 -4.388 1.00 0.00 H new ATOM 0 HB2 HIS B 129 19.168 7.989 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS B 129 19.060 9.111 -5.119 1.00 0.00 H new ATOM 0 HD2 HIS B 129 22.268 9.055 -6.031 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.725 4.893 -6.459 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.245 6.852 -7.087 1.00 0.00 H new ATOM 2024 N TYR B 130 19.156 10.104 -1.794 1.00 0.00 N ATOM 2025 CA TYR B 130 18.320 10.989 -0.976 1.00 0.00 C ATOM 2026 C TYR B 130 19.112 12.249 -0.726 1.00 0.00 C ATOM 2027 O TYR B 130 18.694 13.349 -1.025 1.00 0.00 O ATOM 2028 CB TYR B 130 18.066 10.314 0.362 1.00 0.00 C ATOM 2029 CG TYR B 130 17.450 11.299 1.319 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.515 12.231 0.859 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.817 11.287 2.672 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.950 13.142 1.742 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.244 12.202 3.559 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.309 13.130 3.094 1.00 0.00 C ATOM 2035 OH TYR B 130 15.742 14.036 3.968 1.00 0.00 O ATOM 0 H TYR B 130 19.268 9.154 -1.439 1.00 0.00 H new ATOM 0 HA TYR B 130 17.375 11.206 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.403 9.459 0.229 1.00 0.00 H new ATOM 0 HB3 TYR B 130 19.001 9.932 0.771 1.00 0.00 H new ATOM 0 HD1 TYR B 130 16.232 12.243 -0.183 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.542 10.571 3.029 1.00 0.00 H new ATOM 0 HE1 TYR B 130 15.230 13.863 1.383 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.523 12.192 4.602 1.00 0.00 H new ATOM 0 HH TYR B 130 16.360 14.783 4.112 1.00 0.00 H new ATOM 2045 N ASN B 131 20.264 12.070 -0.172 1.00 0.00 N ATOM 2046 CA ASN B 131 21.123 13.228 0.118 1.00 0.00 C ATOM 2047 C ASN B 131 21.531 13.885 -1.194 1.00 0.00 C ATOM 2048 O ASN B 131 21.469 15.090 -1.338 1.00 0.00 O ATOM 2049 CB ASN B 131 22.364 12.781 0.888 1.00 0.00 C ATOM 2050 CG ASN B 131 22.004 12.552 2.357 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.993 13.479 3.145 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.707 11.348 2.763 1.00 0.00 N ATOM 0 H ASN B 131 20.649 11.164 0.094 1.00 0.00 H new ATOM 0 HA ASN B 131 20.575 13.944 0.730 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.763 11.864 0.454 1.00 0.00 H new ATOM 0 HB3 ASN B 131 23.145 13.537 0.808 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.466 11.184 3.740 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.716 10.570 2.103 1.00 0.00 H new ATOM 2059 N GLN B 132 21.924 13.112 -2.171 1.00 0.00 N ATOM 2060 CA GLN B 132 22.297 13.737 -3.472 1.00 0.00 C ATOM 2061 C GLN B 132 21.114 14.583 -3.906 1.00 0.00 C ATOM 2062 O GLN B 132 21.254 15.638 -4.492 1.00 0.00 O ATOM 2063 CB GLN B 132 22.577 12.662 -4.529 1.00 0.00 C ATOM 2064 CG GLN B 132 23.416 13.262 -5.661 1.00 0.00 C ATOM 2065 CD GLN B 132 24.863 13.423 -5.198 1.00 0.00 C ATOM 2066 OE1 GLN B 132 25.156 13.304 -4.022 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.792 13.686 -6.076 1.00 0.00 N ATOM 0 H GLN B 132 22.002 12.096 -2.127 1.00 0.00 H new ATOM 0 HA GLN B 132 23.200 14.337 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN B 132 23.105 11.822 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.639 12.273 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN B 132 23.374 12.617 -6.539 1.00 0.00 H new ATOM 0 HG3 GLN B 132 23.008 14.229 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN B 132 25.549 13.786 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.761 13.791 -5.777 1.00 0.00 H new ATOM 2076 N LEU B 133 19.942 14.115 -3.592 1.00 0.00 N ATOM 2077 CA LEU B 133 18.708 14.860 -3.938 1.00 0.00 C ATOM 2078 C LEU B 133 18.503 15.999 -2.940 1.00 0.00 C ATOM 2079 O LEU B 133 18.017 17.061 -3.280 1.00 0.00 O ATOM 2080 CB LEU B 133 17.506 13.905 -3.867 1.00 0.00 C ATOM 2081 CG LEU B 133 17.237 13.268 -5.240 1.00 0.00 C ATOM 2082 CD1 LEU B 133 18.000 11.949 -5.379 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.743 12.991 -5.377 1.00 0.00 C ATOM 0 H LEU B 133 19.786 13.234 -3.103 1.00 0.00 H new ATOM 0 HA LEU B 133 18.798 15.269 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.698 13.125 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.622 14.449 -3.533 1.00 0.00 H new ATOM 0 HG LEU B 133 17.571 13.955 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.797 11.513 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU B 133 19.069 12.135 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.678 11.258 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.544 12.539 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU B 133 15.425 12.309 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU B 133 15.190 13.927 -5.292 1.00 0.00 H new ATOM 2095 N PHE B 134 18.857 15.780 -1.705 1.00 0.00 N ATOM 2096 CA PHE B 134 18.669 16.843 -0.677 1.00 0.00 C ATOM 2097 C PHE B 134 19.597 16.595 0.511 1.00 0.00 C ATOM 2098 O PHE B 134 20.654 17.183 0.626 1.00 0.00 O ATOM 2099 CB PHE B 134 17.213 16.817 -0.192 1.00 0.00 C ATOM 2100 CG PHE B 134 16.362 17.669 -1.102 1.00 0.00 C ATOM 2101 CD1 PHE B 134 16.275 19.051 -0.894 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.664 17.074 -2.157 1.00 0.00 C ATOM 2103 CE1 PHE B 134 15.488 19.837 -1.742 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.877 17.860 -3.007 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.789 19.242 -2.799 1.00 0.00 C ATOM 0 H PHE B 134 19.268 14.912 -1.362 1.00 0.00 H new ATOM 0 HA PHE B 134 18.903 17.813 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.840 15.793 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE B 134 17.153 17.188 0.831 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.815 19.510 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.732 16.008 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE B 134 15.420 20.903 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE B 134 14.338 17.401 -3.823 1.00 0.00 H new ATOM 0 HZ PHE B 134 14.182 19.849 -3.454 1.00 0.00 H new ATOM 2115 N GLY B 135 19.201 15.730 1.397 1.00 0.00 N ATOM 2116 CA GLY B 135 20.043 15.435 2.592 1.00 0.00 C ATOM 2117 C GLY B 135 19.711 16.426 3.709 1.00 0.00 C ATOM 2118 O GLY B 135 20.553 16.783 4.509 1.00 0.00 O ATOM 0 H GLY B 135 18.325 15.210 1.347 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.865 14.415 2.932 1.00 0.00 H new ATOM 0 HA3 GLY B 135 21.099 15.505 2.332 1.00 0.00 H new ATOM 2122 N ASP B 136 18.488 16.873 3.767 1.00 0.00 N ATOM 2123 CA ASP B 136 18.098 17.840 4.831 1.00 0.00 C ATOM 2124 C ASP B 136 19.124 18.975 4.892 1.00 0.00 C ATOM 2125 O ASP B 136 19.642 19.299 5.940 1.00 0.00 O ATOM 2126 CB ASP B 136 18.050 17.123 6.181 1.00 0.00 C ATOM 2127 CG ASP B 136 16.814 16.222 6.238 1.00 0.00 C ATOM 2128 OD1 ASP B 136 16.210 16.013 5.198 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.495 15.757 7.319 1.00 0.00 O ATOM 0 H ASP B 136 17.741 16.611 3.124 1.00 0.00 H new ATOM 0 HA ASP B 136 17.115 18.251 4.603 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.953 16.529 6.321 1.00 0.00 H new ATOM 0 HB3 ASP B 136 18.019 17.852 6.991 1.00 0.00 H new ATOM 2134 N VAL B 137 19.417 19.580 3.774 1.00 0.00 N ATOM 2135 CA VAL B 137 20.409 20.694 3.769 1.00 0.00 C ATOM 2136 C VAL B 137 20.253 21.510 2.484 1.00 0.00 C ATOM 2137 O VAL B 137 20.666 21.279 2.471 1.00 0.00 O ATOM 2138 CB VAL B 137 21.823 20.116 3.838 1.00 0.00 C ATOM 2139 CG1 VAL B 137 22.108 19.308 2.570 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.834 21.259 3.949 1.00 0.00 C ATOM 0 H VAL B 137 19.014 19.352 2.865 1.00 0.00 H new ATOM 0 HA VAL B 137 20.237 21.338 4.631 1.00 0.00 H new ATOM 0 HB VAL B 137 21.907 19.467 4.709 1.00 0.00 H new ATOM 0 HG11 VAL B 137 23.116 18.896 2.620 1.00 0.00 H new ATOM 0 HG12 VAL B 137 21.387 18.494 2.487 1.00 0.00 H new ATOM 0 HG13 VAL B 137 22.024 19.957 1.698 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.843 20.849 3.998 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.748 21.907 3.077 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.633 21.837 4.851 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.594 -5.644 -4.855 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 19.089 5.204 -4.691 1.00 0.00 ZN